Structures by: Katrusiak A.


Structures by: Katrusiak A.

Results: 590


#NameUnit Cell
15043481,1-dichloroethane
The journal of physical chemistry. B (2008) 112, 4 1184-1188
a=7.7446(9)
b=9.3368(10)
c=5.8584(7)
α= 90.00
β= 90.00
γ= 90.00
V = 423.62(8)
15043491,1-dichloroethane
The journal of physical chemistry. B (2008) 112, 4 1184-1188
a=7.8716(16)
b=9.404(2)
c=5.8862(11)
α= 90.00
β= 90.00
γ= 90.00
V = 435.72(15)
15043501,1-dichloroethane
The journal of physical chemistry. B (2008) 112, 4 1184-1188
a=7.5572(9)
b=9.1829(18)
c=5.713(3)
α= 90.00
β= 90.00
γ= 90.00
V = 396.5(2)
15043511,1-dichloroethane
The journal of physical chemistry. B (2008) 112, 4 1184-1188
a=7.3833(10)
b=9.0641(11)
c=5.6461(18)
α= 90.00
β= 90.00
γ= 90.00
V = 377.85(14)
1504378chloroiodomethane
The journal of physical chemistry. B (2008) 112, 17 5355-5362
a=6.3150(13)
b=6.5616(13)
c=8.6926(17)
α= 90.00
β= 90.00
γ= 90.00
V = 360.19(12)
1504379chloroiodomethane
The journal of physical chemistry. B (2008) 112, 17 5355-5362
a=6.3026(13)
b=6.5131(13)
c=8.6599(17)
α= 90.00
β= 90.00
γ= 90.00
V = 355.48(12)
1504380chloroiodomethane
The journal of physical chemistry. B (2008) 112, 17 5355-5362
a=6.2105(12)
b=6.3402(13)
c=8.5189(17)
α= 90.00
β= 90.00
γ= 90.00
V = 335.44(12)
1504381diiodomethane
The journal of physical chemistry. B (2008) 112, 17 5355-5362
a=7.1819(14)
b=12.912(3)
c=4.6930(9)
α= 90.00
β= 90.00
γ= 90.00
V = 435.19(16)
1504382diiodomethane
The journal of physical chemistry. B (2008) 112, 17 5355-5362
a=6.9208(14)
b=12.695(3)
c=4.5338(9)
α= 90.00
β= 90.00
γ= 90.00
V = 398.34(15)
1504384acetonitrile
The journal of physical chemistry. B (2008) 112, 24 7183-7190
a=6.0717(12)
b=5.2319(10)
c=7.7779(16)
α= 90.00
β= 90.00
γ= 90.00
V = 247.08(8)
1504385acetonitrile
The journal of physical chemistry. B (2008) 112, 24 7183-7190
a=5.833(7)
b=5.082(2)
c=7.563(5)
α= 90.00
β= 90.00
γ= 90.00
V = 224.2(3)
1504394chloroform
The journal of physical chemistry. B (2008) 112, 38 12001-12009
a=7.4081(10)
b=9.4034(14)
c=5.754(3)
α= 90.00
β= 90.00
γ= 90.00
V = 400.8(2)
1504395chloroform
The journal of physical chemistry. B (2008) 112, 38 12001-12009
a=5.8868(16)
b=5.8868(16)
c=6.6541(9)
α= 90.00
β= 90.00
γ= 120.00
V = 199.70(8)
1504396bromoform
The journal of physical chemistry. B (2008) 112, 38 12001-12009
a=6.3229(15)
b=6.3229(15)
c=7.285(14)
α= 90.00
β= 90.00
γ= 120.00
V = 252.2(5)
1504397bromoform
The journal of physical chemistry. B (2008) 112, 38 12001-12009
a=6.3119(12)
b=6.3119(12)
c=7.151(16)
α= 90.00
β= 90.00
γ= 120.00
V = 246.7(6)
1506829carbon disulfide
The Journal of Physical Chemistry B (2004) 108, 50 19089
a=6.0381(34)
b=5.3510(12)
c=8.3590(56)
α= 90
β= 90
γ= 90
V = 270.1(2)
1506830carbon disulfide
The Journal of Physical Chemistry B (2004) 108, 50 19089
a=5.8154(40)
b=5.2150(15)
c=8.0463(58)
α= 90.00
β= 90.00
γ= 90.00
V = 244.0(3)
1511801propane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=3.8208(10)
b=11.912(7)
c=6.388(3)
α= 90.00
β= 91.11(3)
γ= 90.00
V = 290.7(2)
1511802propane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=3.8036(5)
b=11.858(8)
c=6.3628(8)
α= 90.00
β= 91.083(10)
γ= 90.00
V = 286.9(2)
1511803propane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=3.7895(4)
b=11.825(10)
c=6.3400(7)
α= 90.00
β= 91.096(9)
γ= 90.00
V = 284.0(2)
1511804propane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=3.7633(12)
b=11.778(4)
c=6.305(8)
α= 90.00
β= 90.85(5)
γ= 90.00
V = 279.4(4)
1511805propane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=3.762(2)
b=11.781(6)
c=6.281(7)
α= 90.00
β= 90.84(6)
γ= 90.00
V = 278.3(4)
1511806propane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=3.722(5)
b=11.676(11)
c=6.212(7)
α= 90.00
β= 90.86(9)
γ= 90.00
V = 269.9(5)
1511807propane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=3.689(3)
b=11.651(9)
c=6.151(5)
α= 90.00
β= 90.48(7)
γ= 90.00
V = 264.4(4)
1511808butane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=5.416(5)
b=4.893(4)
c=7.294(7)
α= 90.00
β= 104.78(8)
γ= 90.00
V = 186.9(3)
1511809butane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=5.408(3)
b=4.887(3)
c=7.275(10)
α= 90.00
β= 104.65(11)
γ= 90.00
V = 186.0(3)
1511810butane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=5.344(8)
b=4.833(7)
c=7.150(8)
α= 90.00
β= 104.63(12)
γ= 90.00
V = 178.7(4)
1511811butane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=5.267(13)
b=4.759(10)
c=7.050(12)
α= 90.00
β= 103.85(18)
γ= 90.00
V = 171.6(6)
1511812butane
The Journal of Physical Chemistry C (2013) 117, 9 4759
a=5.236(6)
b=4.735(6)
c=6.912(13)
α= 90.00
β= 104.11(13)
γ= 90.00
V = 166.2(4)
1511830mandelic_acid
The Journal of Physical Chemistry C (2013) 117, 14 7279
a=9.676(2)
b=16.200(7)
c=9.8866(19)
α= 90.00
β= 90.00
γ= 90.00
V = 1549.7(8)
1511831mandelic_acid
The Journal of Physical Chemistry C (2013) 117, 14 7279
a=9.660(4)
b=16.126(6)
c=9.753(4)
α= 90.00
β= 90.00
γ= 90.00
V = 1519.3(11)
1511832mandelic_acid
The Journal of Physical Chemistry C (2013) 117, 14 7279
a=9.676(2)
b=16.179(11)
c=9.627(3)
α= 90.00
β= 90.00
γ= 90.00
V = 1507.1(12)
1511833mandelic_acid
The Journal of Physical Chemistry C (2013) 117, 14 7279
a=9.634(5)
b=16.132(7)
c=9.466(4)
α= 90.00
β= 90.00
γ= 90.00
V = 1471.2(12)
1511834mandelic_acid
The Journal of Physical Chemistry C (2013) 117, 14 7279
a=9.637(2)
b=16.135(8)
c=9.365(2)
α= 90.00
β= 90.00
γ= 90.00
V = 1456.2(8)
1511835mandelic_acid
The Journal of Physical Chemistry C (2013) 117, 14 7279
a=5.825(2)
b=28.908(11)
c=8.224(6)
α= 90.00
β= 93.03(4)
γ= 90.00
V = 1382.9(12)
1511836mandelic_acid
The Journal of Physical Chemistry C (2013) 117, 14 7279
a=5.8185(10)
b=28.941(15)
c=8.1730(19)
α= 90.00
β= 93.010(17)
γ= 90.00
V = 1374.4(8)
1511837mandelic_acid
The Journal of Physical Chemistry C (2013) 117, 14 7279
a=5.806(3)
b=28.807(19)
c=8.050(9)
α= 90.00
β= 93.12(7)
γ= 90.00
V = 1344.4(19)
1511838mandelic_acid
The Journal of Physical Chemistry C (2013) 117, 14 7279
a=5.786(3)
b=28.65(2)
c=7.924(4)
α= 90.00
β= 93.44(4)
γ= 90.00
V = 1311.2(13)
1511983pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=7.054(4)
b=12.840(6)
c=8.232(4)
α= 90.00
β= 90.00
γ= 90.00
V = 745.6(7)
1511984pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.971(2)
b=12.783(5)
c=8.247(6)
α= 90.00
β= 90.00
γ= 90.00
V = 734.9(6)
1511985pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.8805(8)
b=12.6682(17)
c=8.209(3)
α= 90.00
β= 90.00
γ= 90.00
V = 715.5(3)
1511986pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.749(3)
b=12.599(6)
c=8.191(4)
α= 90.00
β= 90.00
γ= 90.00
V = 696.5(6)
1511987pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.6851(10)
b=12.492(2)
c=8.146(3)
α= 90.00
β= 90.00
γ= 90.00
V = 680.3(3)
1511988pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.612(3)
b=12.385(9)
c=8.099(7)
α= 90.00
β= 90.00
γ= 90.00
V = 663.2(8)
1511989pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.450(2)
b=12.224(2)
c=8.0651(11)
α= 90.00
β= 90.00
γ= 90.00
V = 635.9(2)
1511990pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.392(5)
b=12.040(10)
c=8.052(7)
α= 90.00
β= 90.00
γ= 90.00
V = 619.7(9)
1511991pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.3573(17)
b=12.030(3)
c=7.984(3)
α= 90.00
β= 90.00
γ= 90.00
V = 610.6(3)
1511992pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.147(3)
b=11.648(11)
c=7.876(7)
α= 90.00
β= 90.00
γ= 90.00
V = 563.9(8)
1511993pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.0669(17)
b=11.554(9)
c=7.814(6)
α= 90.00
β= 90.00
γ= 90.00
V = 547.7(6)
1511994pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.8012(3)
b=12.5689(5)
c=8.2278(4)
α= 90.00
β= 90.00
γ= 90.00
V = 703.34(5)
1511995pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.8045(3)
b=12.5768(6)
c=8.2278(4)
α= 90.00
β= 90.00
γ= 90.00
V = 704.13(6)
1511996pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.8163(3)
b=12.5868(5)
c=8.2275(3)
α= 90.00
β= 90.00
γ= 90.00
V = 705.88(5)
1511997pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.8245(3)
b=12.5972(5)
c=8.2273(4)
α= 90.00
β= 90.00
γ= 90.00
V = 707.30(5)
1511998pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.8306(4)
b=12.6103(6)
c=8.2284(4)
α= 90.00
β= 90.00
γ= 90.00
V = 708.76(6)
1511999pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.8442(3)
b=12.6228(5)
c=8.2283(4)
α= 90.00
β= 90.00
γ= 90.00
V = 710.87(5)
1512000pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.8508(4)
b=12.6373(6)
c=8.2299(4)
α= 90.00
β= 90.00
γ= 90.00
V = 712.51(6)
1512001pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.8614(4)
b=12.6500(6)
c=8.2274(5)
α= 90.00
β= 90.00
γ= 90.00
V = 714.11(7)
1512002pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.8794(4)
b=12.6652(6)
c=8.2302(4)
α= 90.00
β= 90.00
γ= 90.00
V = 717.09(6)
1512003pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.8902(4)
b=12.6822(6)
c=8.2327(4)
α= 90.00
β= 90.00
γ= 90.00
V = 719.40(6)
1512004pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.9030(4)
b=12.6968(6)
c=8.2321(4)
α= 90.00
β= 90.00
γ= 90.00
V = 721.51(6)
1512005pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.9155(4)
b=12.7076(6)
c=8.2322(4)
α= 90.00
β= 90.00
γ= 90.00
V = 723.44(6)
1512006pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.9234(4)
b=12.7234(6)
c=8.2337(4)
α= 90.00
β= 90.00
γ= 90.00
V = 725.30(6)
1512007pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.9397(4)
b=12.7371(6)
c=8.2303(4)
α= 90.00
β= 90.00
γ= 90.00
V = 727.49(6)
1512008pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.9533(5)
b=12.7634(9)
c=8.2281(6)
α= 90.00
β= 90.00
γ= 90.00
V = 730.23(9)
1512009pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.9692(7)
b=12.7818(11)
c=8.2245(7)
α= 90.00
β= 90.00
γ= 90.00
V = 732.63(12)
1512010pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.9782(7)
b=12.7980(10)
c=8.2237(7)
α= 90.00
β= 90.00
γ= 90.00
V = 734.43(11)
1512011pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=6.9934(6)
b=12.8124(9)
c=8.2255(6)
α= 90.00
β= 90.00
γ= 90.00
V = 737.02(10)
1512012pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=7.0100(6)
b=12.8310(9)
c=8.2285(6)
α= 90.00
β= 90.00
γ= 90.00
V = 740.11(10)
1512013pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=7.0252(6)
b=12.8396(9)
c=8.2185(6)
α= 90.00
β= 90.00
γ= 90.00
V = 741.31(10)
1512014pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=7.0396(10)
b=12.8637(16)
c=8.2200(10)
α= 90.00
β= 90.00
γ= 90.00
V = 744.36(17)
1512015pyrazole
The Journal of Physical Chemistry C (2013) 117, 20 10661
a=7.0814(11)
b=12.8818(18)
c=8.2503(8)
α= 90.00
β= 90.00
γ= 90.00
V = 752.60(17)
1518432α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.336(2)
b=14.852(3)
c=4.9240(10)
α= 90.00
β= 90.00
γ= 90.00
V = 755.9(3)
1518433α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.260(2)
b=14.837(3)
c=4.8169(10)
α= 90.00
β= 90.00
γ= 90.00
V = 733.3(3)
1518434α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.220(2)
b=14.832(3)
c=4.7689(10)
α= 90.00
β= 90.00
γ= 90.00
V = 722.9(3)
1518435α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.218(2)
b=14.823(3)
c=4.7439(9)
α= 90.00
β= 90.00
γ= 90.00
V = 718.5(2)
1518436α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.181(2)
b=14.808(3)
c=4.6930(9)
α= 90.00
β= 90.00
γ= 90.00
V = 707.5(2)
1518437α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.110(2)
b=14.808(3)
c=4.5801(9)
α= 90.00
β= 90.00
γ= 90.00
V = 685.7(2)
1518438α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.060(2)
b=14.798(3)
c=4.5370(9)
α= 90.00
β= 90.00
γ= 90.00
V = 675.4(2)
1518439α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.050(2)
b=14.807(3)
c=4.4206(9)
α= 90.00
β= 90.00
γ= 90.00
V = 657.8(2)
1518440α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.040(2)
b=14.796(3)
c=4.3879(9)
α= 90.00
β= 90.00
γ= 90.00
V = 651.8(2)
1518441α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.056(2)
b=14.779(3)
c=4.2750(9)
α= 90.00
β= 90.00
γ= 90.00
V = 635.3(2)
1518442α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.059(2)
b=14.776(3)
c=4.2610(9)
α= 90.00
β= 90.00
γ= 90.00
V = 633.3(2)
1518443α-D-glucose, Phase I
Chem. Sci. (2015) 6, 3 1991
a=10.063(2)
b=14.787(3)
c=4.2560(9)
α= 90.00
β= 90.00
γ= 90.00
V = 633.3(2)
1518444α-D-glucose, Phase II
Chem. Sci. (2015) 6, 3 1991
a=9.714(11)
b=14.99(2)
c=4.262(19)
α= 90.00
β= 90.00
γ= 90.00
V = 621(3)
1518445α-D-glucose, Phase II
Chem. Sci. (2015) 6, 3 1991
a=9.7300(19)
b=14.987(3)
c=4.2340(8)
α= 90.00
β= 90.00
γ= 90.00
V = 617.4(2)
1518446α-D-glucose, Phase II
Chem. Sci. (2015) 6, 3 1991
a=9.6940(19)
b=14.931(3)
c=4.2234(8)
α= 90.00
β= 90.00
γ= 90.00
V = 611.3(2)
1525892(C (N H2)3)2 (S O4)
Polish Journal of Chemistry (2000) 74, 1637-1644
a=17.764
b=17.764
c=17.764
α= 90
β= 90
γ= 90
V = 5605.602
1525894(C (N H2)3) (H S O4)
Polish Journal of Chemistry (2000) 74, 1637-1644
a=8.121
b=5.0255
c=14.659
α= 90
β= 91.107
γ= 90
V = 598.153
1526719(C (N H2)3)2 (Pb I4)
Physical Review, Serie 3. B - Condensed Matter (18,1978-) (2000) 61, 1026-1035
a=12.831
b=27.052
c=9.298
α= 90
β= 90.81
γ= 90
V = 3227.052
1530138Pb (H P O4)
Journal of Physics: Condensed Matter (1989) 1, 10165-10174
a=4.6227
b=6.5142
c=5.7186
α= 90
β= 96.616
γ= 90
V = 171.059
1544223urea
The Journal of Physical Chemistry C (2009) 113, 35 15761
a=5.589(6)
b=5.589(6)
c=4.680(5)
α= 90.00
β= 90.00
γ= 90.00
V = 146.2(3)
1544224urea
The Journal of Physical Chemistry C (2009) 113, 35 15761
a=3.6235(11)
b=8.272(4)
c=8.844(4)
α= 90.00
β= 90.00
γ= 90.00
V = 265.09(19)
1544225urea
The Journal of Physical Chemistry C (2009) 113, 35 15761
a=3.5390(7)
b=8.2340(16)
c=8.7900(18)
α= 90.00
β= 90.00
γ= 90.00
V = 256.14(9)
1544226urea
The Journal of Physical Chemistry C (2009) 113, 35 15761
a=3.414(3)
b=7.360(8)
c=4.606(10)
α= 90.00
β= 90.00
γ= 90.00
V = 115.7(3)
15448273-(trimethylammonium)-benzoic acid iodide hydrate
Structural Chemistry (2016)
a=19.4439(6)
b=7.68010(10)
c=19.4527(5)
α= 90.00
β= 118.711(4)
γ= 90.00
V = 2547.75(15)
15448283-(trimethylammonium)-benzoic acid iodide hydrate
Structural Chemistry (2016)
a=19.4590(9)
b=7.6795(2)
c=19.4920(9)
α= 90.00
β= 118.687(6)
γ= 90.00
V = 2555.3(2)
15448293-(trimethylammonium)-benzoic acid iodide hydrate
Structural Chemistry (2016)
a=19.4906(5)
b=7.68270(10)
c=19.5367(4)
α= 90.00
β= 118.651(3)
γ= 90.00
V = 2567.23(12)
15448303-(trimethylammonium)-benzoic acid iodide hydrate
Structural Chemistry (2016)
a=19.5130(11)
b=7.6986(4)
c=19.5890(10)
α= 90.00
β= 118.610(6)
γ= 90.00
V = 2583.4(3)
15448313-(trimethylammonium)-benzoic acid iodide hydrate
Structural Chemistry (2016)
a=19.5200(12)
b=7.7018(3)
c=19.6010(12)
α= 90.00
β= 118.593(8)
γ= 90.00
V = 2587.4(3)
15448323-(trimethylammonium)-benzoic acid iodide hydrate
Structural Chemistry (2016)
a=19.5270(13)
b=7.7049(3)
c=19.6170(12)
α= 90.00
β= 118.580(8)
γ= 90.00
V = 2591.8(3)