Crystallography Open Database

Result : There are 55 entries in the selection

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Searching journal of publication like 'Journal of Applied Crystallography' volume of publication is 42

COD ID: 2300209
CIF file

Original IUCr paper

 Formula: - C46 H42 Fe O12 -
Comments: Okabe, Takashi; Nakazaki, Keisuke; Igaue, Tsuyoshi; Nakamura, Naotake; Donnio, Bertrand; Guillon, Daniel; Gallani, Jean-Louis Synthesis and physical properties of ferrocene derivatives. XXI. Crystal structure of a liquid crystalline ferrocene derivative, 1,1'-bis[3-[4-(4-methoxyphenoxycarbonyl)phenoxy]propyloxycarbonyl]ferrocene Journal of Applied Crystallography 42(1) (2009) 63-68
Space group: P 1 21 1
Cell volume: 1983.3
Cell parameters: 5.857; 24.105; 14.069; 90; 93.15; 90;  

COD ID: 2300210
CIF file

HKL data

Original IUCr paper

 Formula: - C2 H2 Ca O5 -
Comments: Daudon, Michel; Bazin, Dominique; André, Gilles; Jungers, Paul; Cousson, Alain; Chevallier, Pierre; Véron, Emmanuel; Matzen, Guy Examination of whewellite kidney stones by scanning electron microscopy and powder neutron diffraction techniques Journal of Applied Crystallography 42(1) (2009) 109-115
Space group: P 1 21/c 1
Cell volume: 878.4
Cell parameters: 6.316; 14.541; 10.116; 90; 109; 90;  

COD ID: 2300211
CIF file

Original IUCr paper

 Formula: - Lu2 O5 Si -
Comments: Cong, Hengjiang; Zhang, Huaijin; Wang, Jiyang; Yu, Wentao; Fan, Jiandong; Cheng, Xiufeng; Sun, Shangqian; Zhang, Jian; Lu, Qingming; Jiang, Chunjian; Boughton, Robert I. Structural and thermal properties of the monoclinic Lu~2~SiO~5~ single crystal: evaluation as a new laser matrix Journal of Applied Crystallography 42(2) (2009) 284-294
Space group: I 1 2/a 1
Cell volume: 822.91
Cell parameters: 10.255; 6.6465; 12.3626; 90; 102.422; 90;  

COD ID: 2300212
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1224.85
Cell parameters: 14.6696; 7.889; 10.7287; 90; 99.427; 90;  

COD ID: 2300213
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1225.05
Cell parameters: 14.6712; 7.8893; 10.7288; 90; 99.428; 90;  

COD ID: 2300214
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1224.23
Cell parameters: 14.6662; 7.8879; 10.7275; 90; 99.432; 90;  

COD ID: 2300215
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1224.61
Cell parameters: 14.6689; 7.8884; 10.728; 90; 99.429; 90;  

COD ID: 2300216
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1224.55
Cell parameters: 14.6682; 7.8889; 10.7276; 90; 99.437; 90;  

COD ID: 2300217
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1223.6
Cell parameters: 14.6636; 7.8871; 10.7244; 90; 99.417; 90;  

COD ID: 2300218
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1224.84
Cell parameters: 14.6703; 7.889; 10.7282; 90; 99.429; 90;  

COD ID: 2300219
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1224.41
Cell parameters: 14.6698; 7.8878; 10.7265; 90; 99.432; 90;  

COD ID: 2300220
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1177.3
Cell parameters: 14.499; 7.7576; 10.6203; 90; 99.741; 90;  

COD ID: 2300221
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1224.81
Cell parameters: 14.6706; 7.8885; 10.7284; 90; 99.426; 90;  

COD ID: 2300222
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1222.8
Cell parameters: 14.6655; 7.8817; 10.724; 90; 99.427; 90;  

COD ID: 2300223
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1180.7
Cell parameters: 14.494; 7.7528; 10.6655; 90; 99.875; 90;  

COD ID: 2300224
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1225.45
Cell parameters: 14.673; 7.8892; 10.7316; 90; 99.436; 90;  

COD ID: 2300225
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1223.3
Cell parameters: 14.669; 7.8804; 10.7272; 90; 99.439; 90;  

COD ID: 2300226
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1188.8
Cell parameters: 14.528; 7.7695; 10.691; 90; 99.89; 90;  

COD ID: 2300227
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1225
Cell parameters: 14.67; 7.8886; 10.7304; 90; 99.43; 90;  

COD ID: 2300228
CIF file

Original IUCr paper

 Formula: - C13 H18 O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/c 1
Cell volume: 1221.4
Cell parameters: 14.683; 7.86; 10.729; 90; 99.456; 90;  

COD ID: 2300229
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 773.484
Cell parameters: 12.88606; 9.38115; 7.10099; 90; 115.701; 90;  

COD ID: 2300230
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 773.38
Cell parameters: 12.88559; 9.38013; 7.10096; 90; 115.7; 90;  

COD ID: 2300231
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 773.65
Cell parameters: 12.8865; 9.3822; 7.10147; 90; 115.702; 90;  

COD ID: 2300232
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 774.26
Cell parameters: 12.89; 9.38466; 7.10325; 90; 115.702; 90;  

COD ID: 2300233
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 773.61
Cell parameters: 12.8863; 9.38162; 7.10158; 90; 115.701; 90;  

COD ID: 2300234
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 773.73
Cell parameters: 12.8871; 9.3824; 7.1018; 90; 115.703; 90;  

COD ID: 2300235
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 774.32
Cell parameters: 12.8905; 9.38488; 7.10342; 90; 115.701; 90;  

COD ID: 2300236
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 773.66
Cell parameters: 12.887; 9.3819; 7.1015; 90; 115.701; 90;  

COD ID: 2300237
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 773.5
Cell parameters: 12.8858; 9.3812; 7.1013; 90; 115.703; 90;  

COD ID: 2300238
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 774.04
Cell parameters: 12.889; 9.38347; 7.10271; 90; 115.702; 90;  

COD ID: 2300239
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 773.5
Cell parameters: 12.8856; 9.3812; 7.10114; 90; 115.697; 90;  

COD ID: 2300240
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 773.6
Cell parameters: 12.8844; 9.3824; 7.1025; 90; 115.709; 90;  

COD ID: 2300241
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 774.05
Cell parameters: 12.8887; 9.384; 7.1025; 90; 115.702; 90;  

COD ID: 2300242
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 773.82
Cell parameters: 12.8869; 9.3833; 7.1022; 90; 115.706; 90;  

COD ID: 2300243
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 779.7
Cell parameters: 12.656; 9.564; 7.236; 90; 117.1; 90;  

COD ID: 2300244
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 773.8
Cell parameters: 12.885; 9.3862; 7.1008; 90; 115.714; 90;  

COD ID: 2300245
CIF file

Original IUCr paper

 Formula: - C8 H9 N O2 -
Comments: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W. Implementation and use of robust refinement in powder diffraction in the presence of impurities Journal of Applied Crystallography 42(3) (2009) 385-391
Space group: P 1 21/a 1
Cell volume: 769.4
Cell parameters: 12.864; 9.354; 7.104; 90; 115.83; 90;  

COD ID: 2300246
CIF file Formula: - Co Li O4 P -
Comments: Kimura, Tsunehisa; Chang, Chengkang; Kimura, Fumiko; Maeyama, Masataka The pseudo-single-crystal method: a third approach to crystal structure determination Journal of Applied Crystallography 42(3) (2009) 535-537
Space group: P n m a
Cell volume: 284.3
Cell parameters: 10.202; 5.918; 4.709; 90; 90; 90;  

COD ID: 2300247
CIF file Formula: - D -
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: P 1 21/n 1
Cell volume: 310.929
Cell parameters: 7.78366; 6.72568; 6.07443; 90; 102.104; 90;  

COD ID: 2300248
CIF file Formula: - D -
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: P b c a
Cell volume: 899.12
Cell parameters: 18.8679; 6.94772; 6.85885; 90; 90; 90;  

COD ID: 2300249
CIF file Formula: - D2 O -
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: R -3 :H
Cell volume: 886.99
Cell parameters: 12.87078; 12.87078; 6.1827; 90; 90; 120;  

COD ID: 2300250
CIF file Formula: - Al -
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: F m -3 m
Cell volume: 65.793
Cell parameters: 4.03702; 4.03702; 4.03702; 90; 90; 90;  

COD ID: 2300251
CIF file Formula: - D2 O -
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: P 41 21 2
Cell volume: 297.78
Cell parameters: 6.6748; 6.67484; 6.6838; 90; 90; 90;  

COD ID: 2300252
CIF file Formula: - C W -
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: P -6 m 2
Cell volume: 20.697
Cell parameters: 2.9016; 2.90156; 2.83867; 90; 90; 120;  

COD ID: 2300253
CIF file Formula: - D -
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: P n c n
Cell volume: 533
Cell parameters: 12.5626; 6.6513; 6.3788; 90; 90; 90;  

COD ID: 2300254
CIF file Formula: - D2 O -
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: R -3 :H
Cell volume: 879.86
Cell parameters: 12.8396; 12.8396; 6.1628; 90; 90; 120;  

COD ID: 2300255
CIF file Formula: - D10 O5 -
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: P 42/n m c :2
Cell volume: 218.72
Cell parameters: 6.186; 6.186; 5.7157; 90; 90; 90;  

COD ID: 2300256
CIF file Formula: - Pb -
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: F m -3 m
Cell volume: 118.426
Cell parameters: 4.9108; 4.91075; 4.91075; 90; 90; 90;  

COD ID: 2300257
CIF file Formula: - D -
Comments: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F. Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa Journal of Applied Crystallography 42(5) (2009) 846-866
Space group: I -4 2 d
Cell volume: 265.69
Cell parameters: 8.15; 8.15; 4; 90; 90; 90;  

COD ID: 2300258
CIF file Formula: - Ca H4 O6 S -
Comments: Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum Journal of Applied Crystallography 42(6) (2009) 1176-1188
Space group: C 1 2/c 1
Cell volume: 495.95
Cell parameters: 6.28689; 15.2131; 6.52996; 90; 127.43; 90;  

COD ID: 2300259
CIF file Formula: - Ca H4 O6 S -
Comments: Henry, Paul F.; Weller, Mark T.; Wilson, Chick C. Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum Journal of Applied Crystallography 42(6) (2009) 1176-1188
Space group: I 1 2/c 1
Cell volume: 496.03
Cell parameters: 5.68021; 15.2139; 6.53032; 90; 118.484; 90;  

COD ID: 2300260
CIF file Formula: - C D7 N O -
Comments: Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography 42(6) (2009) 1054-1061
Space group: P b c a
Cell volume: 641.053
Cell parameters: 11.0232; 7.66076; 7.59127; 90; 90; 90;  

COD ID: 2300261
CIF file Formula: - C D7 N O -
Comments: Fortes, A. D.; Wood, I. G.; Knight, K. S. The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K Journal of Applied Crystallography 42(6) (2009) 1054-1061
Space group: P b c a
Cell volume: 667.096
Cell parameters: 11.21169; 7.74663; 7.68077; 90; 90; 90;  

COD ID: 2300262
CIF file

HKL data

Original IUCr paper

 Formula: - C17 H30 F N3 O9 -
Comments: Dittrich, B.; Hübschle, C. B.; Holstein, J. J.; Fabbiani, F. P. A. Towards extracting the charge density from normal-resolution data Journal of Applied Crystallography 42(6) (2009) 1110-1121
Space group: P -1
Cell volume: 1024.57
Cell parameters: 9.507; 9.9649; 11.0233; 94.182; 100.118; 91.432;  

COD ID: 2300263
CIF file

Original IUCr paper

 Formula: - C17 H21.8 Cl F N3 O4.4 -
Comments: Dittrich, B.; Hübschle, C. B.; Holstein, J. J.; Fabbiani, F. P. A. Towards extracting the charge density from normal-resolution data Journal of Applied Crystallography 42(6) (2009) 1110-1121
Space group: P 1 21/c 1
Cell volume: 1750.7
Cell parameters: 12.872; 19.576; 6.948; 90; 90.55; 90;  


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