Search results

Formula: - C27 H33 N O3 -
Comments: Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization Acta Crystallographica Section B 62(1) (2006) 128-134
Space group: P 21 21 21
Cell volume: 2292.8
Cell parameters: 11.757; 29.752; 6.5547; 90; 90; 90;

COD ID: 2100352

Formula: - C27 H33 N O3 -
Comments: Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization Acta Crystallographica Section B 62(1) (2006) 128-134
Space group: P 21 21 21
Cell volume: 2296.5
Cell parameters: 11.7903; 29.728; 6.5519; 90; 90; 90;

COD ID: 2100353

Formula: - C27 H33 N O3 -
Comments: Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization Acta Crystallographica Section B 62(1) (2006) 128-134
Space group: P 21 21 21
Cell volume: 2298.7
Cell parameters: 11.847; 29.649; 6.5443; 90; 90; 90;

COD ID: 2100354

Formula: - C27 H33 N O3 -
Comments: Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization Acta Crystallographica Section B 62(1) (2006) 128-134
Space group: P 21 21 21
Cell volume: 2299.7
Cell parameters: 11.8971; 29.579; 6.535; 90; 90; 90;

COD ID: 2100355

Formula: - C27 H33 N O3 -
Comments: Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization Acta Crystallographica Section B 62(1) (2006) 128-134
Space group: P 21 21 21
Cell volume: 2303.6
Cell parameters: 11.9628; 29.503; 6.5269; 90; 90; 90;

COD ID: 2100356

Formula: - C27 H33 N O3 -
Comments: Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization Acta Crystallographica Section B 62(1) (2006) 128-134
Space group: P 21 21 21
Cell volume: 2305.4
Cell parameters: 12.053; 29.385; 6.5093; 90; 90; 90;

COD ID: 2100357

Formula: - C27 H33 N O3 -
Comments: Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization Acta Crystallographica Section B 62(1) (2006) 128-134
Space group: P 21 21 21
Cell volume: 2305.8
Cell parameters: 12.14; 29.258; 6.4918; 90; 90; 90;

COD ID: 2100358

Formula: - C27 H33 N O3 -
Comments: Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization Acta Crystallographica Section B 62(1) (2006) 128-134
Space group: P 21 21 21
Cell volume: 2312.1
Cell parameters: 12.364; 28.956; 6.4582; 90; 90; 90;

COD ID: 2100359

Formula: - C27 H33 N O3 -
Comments: Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization Acta Crystallographica Section B 62(1) (2006) 128-134
Space group: P 21 21 21
Cell volume: 2307.2
Cell parameters: 12.4079; 28.861; 6.4428; 90; 90; 90;

COD ID: 2100360

Formula: - C27 H33 N O3 -
Comments: Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization Acta Crystallographica Section B 62(1) (2006) 128-134
Space group: P 21 21 21
Cell volume: 2303.3
Cell parameters: 12.4288; 28.809; 6.4326; 90; 90; 90;

COD ID: 2100361

Formula: - C27 H33 N O3 -
Comments: Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization Acta Crystallographica Section B 62(1) (2006) 128-134
Space group: P 21 21 21
Cell volume: 2301.1
Cell parameters: 12.4407; 28.779; 6.4272; 90; 90; 90;

COD ID: 2100362
CIF file Original IUCr paper	Formula: - C27 H33 N O3 - Comments: Acta Crystallographica, Section B 62(1) (2006) 128-134 Space group: P 21 21 21 Cell volume: 2299.8 Cell parameters: 12.4509; 28.753; 6.4239; 90; 90; 90;

COD ID: 2100363
CIF file Original IUCr paper	Formula: - C27 H33 N O3 - Comments: Acta Crystallographica, Section B 62(1) (2006) 128-134 Space group: P 21 21 21 Cell volume: 2300 Cell parameters: 12.4537; 28.749; 6.424; 90; 90; 90;

COD ID: 2100364

Formula: - Al0.1 Nd0.7 O3 Ti0.9 -
Comments: Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R. Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis Acta Crystallographica Section B 62(1) (2006) 60-67
Space group: C 1 2/m 1
Cell volume: 452.428
Cell parameters: 7.67637; 7.64297; 7.71137; 90; 90.042; 90;

COD ID: 2100365

Formula: - Al0.1 Nd0.7 O3 Ti0.9 -
Comments: Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R. Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis Acta Crystallographica Section B 62(1) (2006) 60-67
Space group: C m m m
Cell volume: 459.62
Cell parameters: 7.71021; 7.69428; 7.74755; 90; 90; 90;

COD ID: 2100366

Formula: - C7 H3 Cl2 N O -
Comments: Britton, Doyle 3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates Acta Crystallographica Section B 62(1) (2006) 109-117
Space group: P -1
Cell volume: 740.7
Cell parameters: 7.3325; 8.999; 12.221; 78.65; 74.39; 74.23;

COD ID: 2100367

Formula: - C10 H6 Cl2 N O -
Comments: Britton, Doyle 3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates Acta Crystallographica Section B 62(1) (2006) 109-117
Space group: P -1
Cell volume: 482.4
Cell parameters: 7.42; 8.386; 8.808; 73.82; 66.99; 79.04;

COD ID: 2100368

Formula: - C9 H5.5 Cl2 N O -
Comments: Britton, Doyle 3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates Acta Crystallographica Section B 62(1) (2006) 109-117
Space group: P 1 21/n 1
Cell volume: 926.2
Cell parameters: 4.5522; 15.067; 13.636; 90; 98; 90;

COD ID: 2100369

Formula: - C7 H3 Br2 N O -
Comments: Britton, Doyle 3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates Acta Crystallographica Section B 62(1) (2006) 109-117
Space group: P -1
Cell volume: 783.4
Cell parameters: 8.244; 9.12; 11.687; 95.6; 108.55; 106.13;

COD ID: 2100370
CIF file Original IUCr paper	Formula: - C7 H3 Br2 N O - Comments: Britton, Doyle 3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates Acta Crystallographica Section B 62(1) (2006) 109-117 Space group: P -1 Cell volume: 784.7 Cell parameters: 3.9684; 12.669; 16.047; 79.68; 83.71; 83.06;

COD ID: 2100371
CIF file Original IUCr paper	Formula: - C7 H3 I2 N O - Comments: Britton, Doyle 3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates Acta Crystallographica Section B 62(1) (2006) 109-117 Space group: P -1 Cell volume: 865.5 Cell parameters: 8.648; 9.393; 12.12; 97.32; 109.86; 105.59;

COD ID: 2100372

Formula: - C7 H3 I2 N O -
Comments: Britton, Doyle 3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates Acta Crystallographica Section B 62(1) (2006) 109-117
Space group: P 1 21/c 1
Cell volume: 1730.8
Cell parameters: 15.657; 14.32; 7.724; 90; 91.9; 90;

COD ID: 2100373
CIF file Original IUCr paper	Formula: - Al596 Cr156 - Comments: Zhang, H.; He, Z.B.; Oleynikov, P.; Zou, X. D.; Hovmöller, S.; Kuo, K. H. Structure model for the τ(μ) phase in Al‒Cr‒Si alloys deduced from the λ phase by the strong-reflections approach Acta Crystallographica Section B 62(1) (2006) 16-25 Space group: P 63/m m c Cell volume: 11203.6 Cell parameters: 32.3; 32.3; 12.4; 90; 90; 120;

COD ID: 2100374

Formula: - C10 H12 N5 O5 P -
Comments: Ślósarek, G.; Kozak, M.; Gierszewski, J.; Pietraszko, A. Structure of N^6^-furfurylaminopurine (kinetin) dihydrogenphosphate Acta Crystallographica Section B 62(1) (2006) 102-108
Space group: P -1
Cell volume: 1266.2
Cell parameters: 8.9243; 10.72; 14.295; 91.41; 100.75; 108.85;

COD ID: 2100375
CIF file Original IUCr paper	Formula: - C10 H12 N5 O5 P - Comments: Ślósarek, G.; Kozak, M.; Gierszewski, J.; Pietraszko, A. Structure of <i>N</i>^6^-furfurylaminopurine (kinetin) dihydrogenphosphate Acta Crystallographica Section B 62(1) (2006) 102-108 Space group: P -1 Cell volume: 647 Cell parameters: 4.4923; 10.736; 14.455; 91; 100.92; 108.47;

COD ID: 2100376

Formula: - C7 H7 Br N2 O -
Comments: Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I. Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP Acta Crystallographica Section B 62(1) (2006) 135-142
Space group: P -1
Cell volume: 394.61
Cell parameters: 7.269; 7.709; 8.403; 67.01; 68.03; 72;

COD ID: 2100377

Formula: - C15 H14 Br N3 O4 -
Comments: Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I. Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP Acta Crystallographica Section B 62(1) (2006) 135-142
Space group: P 1 21 1
Cell volume: 749.7
Cell parameters: 7.359; 12.987; 8.159; 90; 105.95; 90;

COD ID: 2100378

Formula: - C15 H13 Br N2 O2 -
Comments: Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I. Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP Acta Crystallographica Section B 62(1) (2006) 135-142
Space group: P 21 21 21
Cell volume: 1408.8
Cell parameters: 8.851; 10.014; 15.895; 90; 90; 90;

COD ID: 2100379
CIF file Original IUCr paper	Formula: - C2 H5 N3 O S - Comments: Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R. Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study Acta Crystallographica Section B 62(1) (2006) 118-127 Space group: P 1 21/c 1 Cell volume: 511.2 Cell parameters: 7.2569; 7.4263; 9.593; 90; 98.606; 90;

COD ID: 2100380
CIF file Original IUCr paper	Formula: - C2 H5 N3 O S - Comments: Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R. Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study Acta Crystallographica Section B 62(1) (2006) 118-127 Space group: P 1 21/c 1 Cell volume: 499.83 Cell parameters: 7.2339; 7.3703; 9.4771; 90; 98.426; 90;

COD ID: 2100381
CIF file Original IUCr paper	Formula: - C2 H5 N3 O S - Comments: Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R. Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study Acta Crystallographica Section B 62(1) (2006) 118-127 Space group: P 1 21/c 1 Cell volume: 500.05 Cell parameters: 7.2359; 7.3713; 9.4768; 90; 98.403; 90;

COD ID: 2100382
CIF file Original IUCr paper	Formula: - C6 H5 N O3 - Comments: Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B 62(1) (2006) 143-152 Space group: P 1 21/c 1 Cell volume: 620.9 Cell parameters: 6.138; 8.874; 11.702; 90; 103.05; 90;

COD ID: 2100383
CIF file Original IUCr paper	Formula: - C6 H5 N O3 - Comments: Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B 62(1) (2006) 143-152 Space group: P 1 21/c 1 Cell volume: 603.1 Cell parameters: 6.136; 8.8; 11.481; 90; 103.4; 90;

COD ID: 2100384
CIF file Original IUCr paper	Formula: - C6 H5 N O3 - Comments: Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B 62(1) (2006) 143-152 Space group: P 1 21/c 1 Cell volume: 626.9 Cell parameters: 6.146; 8.903; 11.763; 90; 103.09; 90;

COD ID: 2100385
CIF file Original IUCr paper	Formula: - C6 H5 N O3 - Comments: Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B 62(1) (2006) 143-152 Space group: P 1 21/n 1 Cell volume: 617.6 Cell parameters: 3.774; 11.147; 14.695; 90; 92.6; 90;

COD ID: 2100386
CIF file Original IUCr paper	Formula: - C6 H5 N O3 - Comments: Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B 62(1) (2006) 143-152 Space group: P 1 21/n 1 Cell volume: 596 Cell parameters: 3.678; 11.091; 14.627; 90; 92.75; 90;

COD ID: 2100387
CIF file Original IUCr paper	Formula: - C6 H5 N O3 - Comments: Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B 62(1) (2006) 143-152 Space group: P 1 21/n 1 Cell volume: 629.3 Cell parameters: 3.831; 11.093; 14.835; 90; 93.45; 90;

COD ID: 2100388
CIF file Original IUCr paper	Formula: - Hf0.006 O1.968 Zr0.994 - Comments: Yashima, Masatomo; Tsunekawa, Shin Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles Acta Crystallographica, Section B 62(1) (2006) 161-164 Space group: P 42/n m c Cell volume: 66.458 Cell parameters: 3.58651; 3.58651; 5.16658; 90; 90; 90;

COD ID: 2100389
CIF file Original IUCr paper	Formula: ? Comments: Yashima, Masatomo; Tsunekawa, Shin Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles Acta Crystallographica, Section B 62(1) (2006) 161-164 Space group: P 42/n m c :1 Cell volume: 66.46 Cell parameters: 3.58651; 3.58651; 5.16658; 90; 90; 90;

COD ID: 2100390

Formula: - C21 H9 D14 N S -
Comments: Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state Acta Crystallographica Section B 62(1) (2006) 153-160
Space group: P 1 21 1
Cell volume: 865.07
Cell parameters: 8.5992; 10.1263; 10.0412; 90; 98.364; 90;

COD ID: 2100391

Formula: - C21 H9 D14 N S -
Comments: Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state Acta Crystallographica Section B 62(1) (2006) 153-160
Space group: P 1 21 1
Cell volume: 883.45
Cell parameters: 8.7075; 10.2068; 10.0908; 90; 99.909; 90;

COD ID: 2100392

Formula: - C21 H9 D14 N S -
Comments: Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state Acta Crystallographica Section B 62(1) (2006) 153-160
Space group: P 1 21 1
Cell volume: 949.5
Cell parameters: 8.9117; 10.5512; 10.3463; 90; 102.589; 90;

COD ID: 2100393
CIF file Original IUCr paper	Formula: - H8.6 K2.6 Li9.4 O42.3 Si16 - Comments: Park, So-Hyun; Boysen, Hans; Parise, John B. Structural disorder of a new zeolite-like lithosilicate, K~2.6~Li~5.4~[Li~4~Si~16~O~38~]·4.3H~2~O Acta Crystallographica Section B 62(1) (2006) 42-51 Space group: P 1 21/m 1 Cell volume: 1055.4 Cell parameters: 6.56; 23.057; 6.978; 90; 90.08; 90;

COD ID: 2100394

Formula: - C48 H108 O20 P4 Re4 U -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: I -4 2 m
Cell volume: 3578.9
Cell parameters: 15.5404; 15.5404; 14.8191; 90; 90; 90;

COD ID: 2100395

Formula: - C48 H108 O20 P4 Re4 U -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: C m c 21
Cell volume: 6996.3
Cell parameters: 21.5289; 21.9148; 14.8288; 90; 90; 90;

COD ID: 2100396

Formula: - C48 H108 O20 P4 Re4 U -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: C m c 21
Cell volume: 6903.2
Cell parameters: 21.4344; 21.7929; 14.7782; 90; 90; 90;

COD ID: 2100397

Formula: - C48 H108 O20 P4 Re4 U -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: C 1 c 1
Cell volume: 6857
Cell parameters: 21.4; 21.68; 14.78; 90; 90; 90;

COD ID: 2100398

Formula: - C48 H108 O20 P4 Re4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: I -4 2 m
Cell volume: 3599.9
Cell parameters: 15.5577; 15.5577; 14.873; 90; 90; 90;

COD ID: 2100399

Formula: - C48 H108 O20 P4 Re4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: C m c 21
Cell volume: 7025.6
Cell parameters: 21.721; 21.738; 14.8793; 90; 90; 90;

COD ID: 2100400

Formula: - C48 H108 O20 P4 Re4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: C m c 21
Cell volume: 6930.8
Cell parameters: 21.61; 21.623; 14.8324; 90; 90; 90;

COD ID: 2100401

Formula: - C48 H108 O20 P4 Re4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: C m c 21
Cell volume: 6865.4
Cell parameters: 21.535; 21.548; 14.795; 90; 90; 90;

COD ID: 2100402

Formula: - C48 H108 O20 P4 Tc4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: I -4 3 m
Cell volume: 3611.4
Cell parameters: 15.3423; 15.3423; 15.3423; 90; 90; 90;

COD ID: 2100403

Formula: - C48 H108 O20 P4 Tc4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: C m c 21
Cell volume: 6819.9
Cell parameters: 21.444; 21.582; 14.736; 90; 90; 90;

COD ID: 2100404

Formula: - C48 H108 O20 P4 Tc4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: P b c 21
Cell volume: 6884
Cell parameters: 21.417; 21.649; 14.848; 90; 90; 90;

COD ID: 2100405

Formula: - C48 H108 O20 P4 Tc4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: P b c 21
Cell volume: 6839
Cell parameters: 21.358; 21.651; 14.79; 90; 90; 90;

COD ID: 2100406

Formula: - C48 H108 O20 P4 Tc4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: P b c 21
Cell volume: 6888
Cell parameters: 21.386; 21.732; 14.82; 90; 90; 90;

COD ID: 2100407

Formula: - Ce4 Cl0.92 N6.92 O3.16 Si4 -
Comments: Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+x~N~7{-~x}]Cl~1{-~x}O~x~, x ≃0.2 Acta Crystallographica Section B 62(2) (2006) 205-211
Space group: P 21 3
Cell volume: 1107.8
Cell parameters: 10.347; 10.347; 10.347; 90; 90; 90;

COD ID: 2100408

Formula: - Ce4 Cl0.93 N6.93 O3.14 Si4 -
Comments: Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+x~N~7{-~x}]Cl~1{-~x}O~x~, x ≃0.2 Acta Crystallographica Section B 62(2) (2006) 205-211
Space group: P 21 3
Cell volume: 1068.4
Cell parameters: 10.223; 10.223; 10.223; 90; 90; 90;

COD ID: 2100409

Formula: - Ce4 Cl0.93 N6.93 O3.14 Si4 -
Comments: Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+x~N~7{-~x}]Cl~1{-~x}O~x~, x ≃0.2 Acta Crystallographica Section B 62(2) (2006) 205-211
Space group: P 21 21 21
Cell volume: 1017.1
Cell parameters: 10.824; 10.479; 8.967; 90; 90; 90;

COD ID: 2100410
CIF file Original IUCr paper	Formula: - C42 H28 - Comments: Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B 62(2) (2006) 330-334 Space group: C m c a Cell volume: 2729.6 Cell parameters: 26.789; 7.17; 14.211; 90; 90; 90;

COD ID: 2100411
CIF file Original IUCr paper	Formula: - C42 H28 - Comments: Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B 62(2) (2006) 330-334 Space group: C m c a Cell volume: 2737.5 Cell parameters: 26.789; 7.173; 14.246; 90; 90; 90;

COD ID: 2100412
CIF file Original IUCr paper	Formula: - C42 H28 - Comments: Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B 62(2) (2006) 330-334 Space group: C m c a Cell volume: 2736.4 Cell parameters: 26.775; 7.168; 14.258; 90; 90; 90;

COD ID: 2100413
CIF file Original IUCr paper	Formula: - C42 H28 - Comments: Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B 62(2) (2006) 330-334 Space group: C m c a Cell volume: 2756.1 Cell parameters: 26.828; 7.181; 14.306; 90; 90; 90;

COD ID: 2100414
CIF file Original IUCr paper	Formula: - C42 H28 - Comments: Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B 62(2) (2006) 330-334 Space group: C m c a Cell volume: 2762.1 Cell parameters: 26.838; 7.181; 14.332; 90; 90; 90;

COD ID: 2100415
CIF file Original IUCr paper	Formula: - C42 H28 - Comments: Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B 62(2) (2006) 330-334 Space group: C m c a Cell volume: 2760.4 Cell parameters: 26.818; 7.174; 14.348; 90; 90; 90;

COD ID: 2100416
CIF file Original IUCr paper	Formula: - C42 H28 - Comments: Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B 62(2) (2006) 330-334 Space group: C m c a Cell volume: 2809 Cell parameters: 26.938; 7.211; 14.461; 90; 90; 90;

COD ID: 2100417
CIF file Original IUCr paper	Formula: - C42 H28 - Comments: Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B 62(2) (2006) 330-334 Space group: C m c a Cell volume: 2788.5 Cell parameters: 26.86; 7.193; 14.433; 90; 90; 90;

COD ID: 2100418
CIF file Original IUCr paper	Formula: - C18 H18 Cl2 N2 O4 Sn - Comments: Somphon, Weenawan; Haller, Kenneth J.; Ng, Seik Weng; Rae, A. David Packing and polytypism in 1,10-phenanthrolin-1-ium (2-carboxyethyl)(2-carboxylatoethyl)dichlorostannate(IV) Acta Crystallographica Section B 62(2) (2006) 255-261 Space group: P -1 Cell volume: 973.78 Cell parameters: 7.1204; 12.5017; 12.578; 114.424; 92.562; 104.354;

COD ID: 2100419

Formula: - C3 H7 N O2 S -
Comments: Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay High-pressure polymorphism in L-cysteine: the crystal structures of L-cysteine-III and L-cysteine-IV Acta Crystallographica Section B 62(2) (2006) 296-309
Space group: P 21 21 21
Cell volume: 534.76
Cell parameters: 8.1109; 12.1621; 5.421; 90; 90; 90;

COD ID: 2100420

Formula: - C3 H7 N O2 S -
Comments: Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay High-pressure polymorphism in L-cysteine: the crystal structures of L-cysteine-III and L-cysteine-IV Acta Crystallographica Section B 62(2) (2006) 296-309
Space group: P 21 21 21
Cell volume: 474.4
Cell parameters: 7.4146; 12; 5.3318; 90; 90; 90;

COD ID: 2100421

Formula: - C3 H7 N O2 S -
Comments: Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay High-pressure polymorphism in L-cysteine: the crystal structures of L-cysteine-III and L-cysteine-IV Acta Crystallographica Section B 62(2) (2006) 296-309
Space group: P 21 21 21
Cell volume: 451.79
Cell parameters: 8.0558; 10.4883; 5.3471; 90; 90; 90;

COD ID: 2100422

Formula: - C3 H7 N O2 S -
Comments: Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay High-pressure polymorphism in L-cysteine: the crystal structures of L-cysteine-III and L-cysteine-IV Acta Crystallographica Section B 62(2) (2006) 296-309
Space group: P 21 21 21
Cell volume: 435.2
Cell parameters: 7.9981; 10.2976; 5.284; 90; 90; 90;

COD ID: 2100423

Formula: - C3 H7 N O2 S -
Comments: Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay High-pressure polymorphism in L-cysteine: the crystal structures of L-cysteine-III and L-cysteine-IV Acta Crystallographica Section B 62(2) (2006) 296-309
Space group: P 1 21 1
Cell volume: 479.7
Cell parameters: 8.105; 5.442; 10.916; 90; 94.897; 90;

COD ID: 2100424

Formula: - C21 H45 F6 N4 Ni O6 P -
Comments: Farrugia, L. J.; Frampton, C. S.; Howard, J. A. K.; Mallinson, P. R.; Peacock, R. D.; Smith, G. T.; Stewart, B. Experimental charge-density study on the nickel(II) coordination complex [Ni(H~3~L)][NO~3~][PF~6~] [H~3~L = N,N',N''-tris(2-hydroxy-3-methylbutyl)-1,4,7-triazacyclononane]: a reappraisal Acta Crystallographica Section B 62(2) (2006) 236-244
Space group: P 21 3
Cell volume: 2748.7
Cell parameters: 14.008; 14.008; 14.008; 90; 90; 90;

COD ID: 2100425

Formula: - C16 H26 O6 -
Comments: A. David Rae; Anthony C. Willis; David T. Loong; Martin G. Banwell (Z,2R,3R,4aR,7R,12aS)-2,3,7,8,12,12a-Hexahydro-2,3-dimethoxy-2,3,7-trimethyl-4aH-[1,4]dioxino[2,3-c]oxecin-5(11H)-one: a commensurate occupationally modulated structure revealing a condition for diffraction symmetry enhancement for non-parent reflections Acta Crystallographica Section B 62(2) (2006) 262-267
Space group: P 31
Cell volume: 3705.03
Cell parameters: 18.685; 18.685; 12.2539; 90; 90; 120;

COD ID: 2100426

Formula: - Ba1.117 Ni0.117 O3 Rh0.883 -
Comments: Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad Description of Ba~1+x~Ni~x~Rh~1{-~x}O~3~ with x = 0.1170(5) in superspace: modulated composite versus modulated-layer structure Acta Crystallographica Section B 62(2) (2006) 197-204
Space group: R-3m(00\g)0s
Cell volume: 226.56
Cell parameters: 10.0576; 10.0576; 2.5862; 90; 90; 120;

COD ID: 2100427

Formula: - Ba Ni0.105 O2.686 Rh0.791 -
Comments: Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad Description of Ba~1+x~Ni~x~Rh~1{-~x}O~3~ with x = 0.1170(5) in superspace: modulated composite versus modulated-layer structure Acta Crystallographica Section B 62(2) (2006) 197-204
Space group: X-3c1(00\g)000
Cell volume: 405.65
Cell parameters: 10.0576; 10.0576; 4.6306; 90; 90; 120;

COD ID: 2100428

Formula: - Ba0.38 K0.085 Na0.07 Nb2 O6 Sr0.56 -
Comments: Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution Acta Crystallographica Section B 62(2) (2006) 228-235
Space group: X4bm
Cell volume: 1219.08
Cell parameters: 12.4375; 12.4375; 7.8807; 90; 90; 90;

COD ID: 2100429

Formula: - Ba0.26 K0.09 Na0.08 Nb2 O6 Sr0.67 -
Comments: Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution Acta Crystallographica Section B 62(2) (2006) 228-235
Space group: X4bm
Cell volume: 1213.08
Cell parameters: 12.4292; 12.4292; 7.8524; 90; 90; 90;

COD ID: 2100430

Formula: - Cl6 N3 P3 -
Comments: Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~n)}(NHBu^t^)~n~ derivatives Acta Crystallographica Section B 62(2) (2006) 321-329
Space group: P n m a
Cell volume: 1079.17
Cell parameters: 13.8572; 12.8086; 6.0801; 90; 90; 90;

COD ID: 2100431

Formula: - C4 H10 Cl5 N4 P3 -
Comments: Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~n)}(NHBu^t^)~n~ derivatives Acta Crystallographica Section B 62(2) (2006) 321-329
Space group: P 1 21/c 1
Cell volume: 3002.1
Cell parameters: 13.8045; 10.7964; 20.7719; 90; 104.132; 90;

COD ID: 2100432

Formula: - C8 H20 Cl4 N5 P3 -
Comments: Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~n)}(NHBu^t^)~n~ derivatives Acta Crystallographica Section B 62(2) (2006) 321-329
Space group: P n a 21
Cell volume: 3880.9
Cell parameters: 20.3441; 11.9481; 15.9661; 90; 90; 90;

COD ID: 2100433

Formula: - C16 H40 Cl2 N7 P3 -
Comments: Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~n)}(NHBu^t^)~n~ derivatives Acta Crystallographica Section B 62(2) (2006) 321-329
Space group: P 1 21/n 1
Cell volume: 2637.59
Cell parameters: 12.5207; 16.1282; 13.1311; 90; 95.903; 90;

COD ID: 2100434

Formula: - C4 H8 N2 O3 -
Comments: Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B 62(2) (2006) 310-320
Space group: P 1 21/c 1
Cell volume: 578.7
Cell parameters: 8.1233; 9.554; 7.8224; 90; 107.596; 90;

COD ID: 2100435

Formula: - C4 H8 N2 O3 -
Comments: Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B 62(2) (2006) 310-320
Space group: P 1 21/c 1
Cell volume: 532.44
Cell parameters: 7.6428; 9.38; 7.6505; 90; 103.882; 90;

COD ID: 2100436

Formula: - C4 H8 N2 O3 -
Comments: Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B 62(2) (2006) 310-320
Space group: P 1 21/c 1
Cell volume: 511.84
Cell parameters: 7.4304; 9.2896; 7.5943; 90; 102.465; 90;

COD ID: 2100437

Formula: - C4 H8 N2 O3 -
Comments: Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B 62(2) (2006) 310-320
Space group: P 1 21/c 1
Cell volume: 499.3
Cell parameters: 7.31; 9.232; 7.55; 90; 101.51; 90;

COD ID: 2100438

Formula: - C4 H8 N2 O3 -
Comments: Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B 62(2) (2006) 310-320
Space group: P 1 21/c 1
Cell volume: 492.86
Cell parameters: 7.2437; 9.2083; 7.5328; 90; 101.214; 90;

COD ID: 2100439

Formula: - C27.5 H36.5 Co1.5 N2.5 O9.5 -
Comments: Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[M~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, M = Co, Zn Acta Crystallographica Section B 62(2) (2006) 245-254
Space group: C 1 2/c 1
Cell volume: 5988
Cell parameters: 33.311; 9.834; 18.296; 90; 92.35; 90;

COD ID: 2100440

Formula: - C27.5 H36.5 N2.5 O9.5 Zn1.5 -
Comments: Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[M~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, M = Co, Zn Acta Crystallographica Section B 62(2) (2006) 245-254
Space group: C 1 2/c 1
Cell volume: 5921.96
Cell parameters: 33.2613; 9.7844; 18.2156; 90; 92.613; 90;

COD ID: 2100441

Formula: - C27.5 H36.5 N2.5 O9.5 Zn1.5 -
Comments: Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[M~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, M = Co, Zn Acta Crystallographica Section B 62(2) (2006) 245-254
Space group: C 1 2/c 1
Cell volume: 5944.94
Cell parameters: 33.3307; 9.8105; 18.1988; 90; 92.552; 90;

COD ID: 2100442

Formula: - C27.5 H36.5 N2.5 O9.5 Zn1.5 -
Comments: Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[M~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, M = Co, Zn Acta Crystallographica Section B 62(2) (2006) 245-254
Space group: C 1 2/c 1
Cell volume: 5979.64
Cell parameters: 33.4193; 9.8455; 18.1908; 90; 92.495; 90;

COD ID: 2100443

Formula: - C27.5 H36.5 N2.5 O9.5 Zn1.5 -
Comments: Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[M~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, M = Co, Zn Acta Crystallographica Section B 62(2) (2006) 245-254
Space group: C 1 2/c 1
Cell volume: 6023.54
Cell parameters: 33.5639; 9.8791; 18.1814; 90; 92.35; 90;

COD ID: 2100444

Formula: - Ag13.034 As1.179 Cu2.966 S11 Sb0.821 -
Comments: Bindi, Luca; Evain, Michel; Menchetti, Silvio Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~ Acta Crystallographica, Section B: Structural Science 62(2) (2006) 212-219
Space group: P -3 m 1
Cell volume: 561.89
Cell parameters: 7.3876; 7.3876; 11.8882; 90; 90; 120;

COD ID: 2100445

Formula: - Ag13.034 As1.179 Cu2.966 S11 Sb0.821 -
Comments: Bindi, Luca; Evain, Michel; Menchetti, Silvio Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~ Acta Crystallographica Section B 62(2) (2006) 212-219
Space group: P -3 m 1
Cell volume: 555.88
Cell parameters: 7.3721; 7.3721; 11.8104; 90; 90; 120;

COD ID: 2100446
CIF file Original IUCr paper	Formula: - Ag12.21 As1.194 Cu3.79 S11 Sb0.806 - Comments: Bindi, Luca; Evain, Michel; Menchetti, Silvio Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~ Acta Crystallographica Section B 62(2) (2006) 212-219 Space group: P -3 m 1 Cell volume: 558.69 Cell parameters: 7.389; 7.389; 11.816; 90; 90; 120;

COD ID: 2100447

Formula: - C6 H2 Cl4 -
Comments: Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B 62(2) (2006) 287-295
Space group: P -1
Cell volume: 375.91
Cell parameters: 3.8016; 10.6369; 9.4866; 92.072; 98.966; 96.52;

COD ID: 2100448

Formula: - C6 Cl4 D2 -
Comments: Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B 62(2) (2006) 287-295
Space group: P -1
Cell volume: 367.779
Cell parameters: 3.76062; 10.58794; 9.44562; 92.4066; 98.6978; 97.5893;

COD ID: 2100449

Formula: - C6 Cl4 D2 -
Comments: Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B 62(2) (2006) 287-295
Space group: P -1
Cell volume: 375.132
Cell parameters: 3.799; 10.6258; 9.47938; 91.978; 99.058; 96.234;

COD ID: 2100450

Formula: - C6 Cl4 D2 -
Comments: Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B 62(2) (2006) 287-295
Space group: P 1 21/n 1
Cell volume: 375.182
Cell parameters: 3.78988; 10.50328; 9.56244; 90; 99.7184; 90;

COD ID: 2100451

Formula: - C6 Cl4 D2 -
Comments: Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B 62(2) (2006) 287-295
Space group: P 1 21/n 1
Cell volume: 378.949
Cell parameters: 3.81117; 10.53867; 9.57198; 90; 99.7088; 90;

COD ID: 2100452

Formula: - C6 Cl4 D2 -
Comments: Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B 62(2) (2006) 287-295
Space group: P 1 21/n 1
Cell volume: 387.033
Cell parameters: 3.85595; 10.61473; 9.59283; 90; 99.6884; 90;

COD ID: 2100453

Formula: - Ce1.86 In8 Rh -
Comments: E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B 62(2) (2006) 173-189
Space group: P 4/m m m
Cell volume: 266.336
Cell parameters: 4.66516; 4.66516; 12.23763; 90; 90; 90;

COD ID: 2100454

Formula: - Rh -
Comments: E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B 62(2) (2006) 173-189
Space group: F m -3 m
Cell volume: 46.3056
Cell parameters: 3.590966; 3.590966; 3.590966; 90; 90; 90;

COD ID: 2100455

Formula: - Ce In3 -
Comments: E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B 62(2) (2006) 173-189
Space group: P m -3 m
Cell volume: 103.211
Cell parameters: 4.69074; 4.69074; 4.69074; 90; 90; 90;

COD ID: 2100456

Formula: - In -
Comments: E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B 62(2) (2006) 173-189
Space group: I 4/m m m
Cell volume: 52.287
Cell parameters: 3.25094; 3.25094; 4.9474; 90; 90; 90;

COD ID: 2100457
CIF file Original IUCr paper	Formula: - C2 H6 O4 S - Comments: Acta Crystallographica, Section B 62(2) (2006) 280-286 Space group: I 1 2/a 1 Cell volume: 518.81 Cell parameters: 8.9007; 5.8099; 10.2451; 90; 101.69; 90;

COD ID: 2100458
CIF file Original IUCr paper	Formula: - C2 H6 O4 S - Comments: Acta Crystallographica, Section B 62(2) (2006) 280-286 Space group: F d d 2 Cell volume: 1113.13 Cell parameters: 12.0568; 15.9176; 5.8001; 90; 90; 90;

COD ID: 2100459
CIF file Original IUCr paper	Formula: - C2 D6 O4 S - Comments: Acta Crystallographica, Section B 62(2) (2006) 280-286 Space group: I2/a Cell volume: 495.076 Cell parameters: 8.68731; 5.82756; 9.94376; 90; 100.44; 90;

COD ID: 2100460
CIF file Original IUCr paper	Formula: - C24 H38 N2 O6 - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 1 Cell volume: 628.08 Cell parameters: 5.9642; 10.4125; 11.7403; 108.175; 104.56; 104.087;

COD ID: 2100461
CIF file Original IUCr paper	Formula: - C16 H25 N O5 - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 21 21 21 Cell volume: 1713.17 Cell parameters: 5.829; 13.544; 21.7; 90; 90; 90;

COD ID: 2100462
CIF file Original IUCr paper	Formula: - C16 H21 N O4 S - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 1 21 1 Cell volume: 815.84 Cell parameters: 5.7214; 20.8336; 6.9188; 90; 98.409; 90;

COD ID: 2100463
CIF file Original IUCr paper	Formula: - C22 H36 N2 O8 S2 - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 1 21 1 Cell volume: 1295.43 Cell parameters: 5.7108; 34.0651; 6.659; 90; 90.09; 90;

COD ID: 2100464
CIF file Original IUCr paper	Formula: - C10 H15 N O - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 21 21 21 Cell volume: 984.75 Cell parameters: 5.6851; 7.7047; 22.4819; 90; 90; 90;

COD ID: 2100465
CIF file Original IUCr paper	Formula: - C12 H21 N O4 S - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 21 21 21 Cell volume: 1479.1 Cell parameters: 5.4877; 11.9057; 22.639; 90; 90; 90;

COD ID: 2100466
CIF file Original IUCr paper	Formula: - C12 H19 N O4 - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 1 21 1 Cell volume: 615.28 Cell parameters: 9.5946; 6.0474; 10.8255; 90; 101.607; 90;

COD ID: 2100467
CIF file Original IUCr paper	Formula: - C10 H16 Cl N O - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 1 21 1 Cell volume: 544.84 Cell parameters: 7.2557; 6.1228; 12.5486; 90; 102.223; 90;

COD ID: 2100468
CIF file Original IUCr paper	Formula: - C10 H16 N O1.5 - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: C 2 2 21 Cell volume: 2001.1 Cell parameters: 7.3639; 11.2551; 24.1442; 90; 90; 90;

COD ID: 2100469
CIF file Original IUCr paper	Formula: - C14 H21 N O6 - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 1 21 1 Cell volume: 758.66 Cell parameters: 6.1312; 9.1719; 13.7393; 90; 100.909; 90;

COD ID: 2100470
CIF file Original IUCr paper	Formula: - C14 H21 N O6 - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 21 21 21 Cell volume: 1561.36 Cell parameters: 5.637; 13.495; 20.525; 90; 90; 90;

COD ID: 2100471
CIF file Original IUCr paper	Formula: - C11.5 H17 N O3 - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: C 1 2 1 Cell volume: 1168 Cell parameters: 15.119; 5.784; 13.8788; 90; 105.765; 90;

COD ID: 2100472
CIF file Original IUCr paper	Formula: - C11 H19 N O4 S - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: C 1 2 1 Cell volume: 1306.2 Cell parameters: 14.287; 6.1075; 14.993; 90; 93.211; 90;

COD ID: 2100473
CIF file Original IUCr paper	Formula: - C10 H16 N2 O4 - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 1 21 1 Cell volume: 589.73 Cell parameters: 5.5309; 6.8501; 15.6906; 90; 97.243; 90;

COD ID: 2100474
CIF file Original IUCr paper	Formula: - C10 H18 N O5 P - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: C 1 2 1 Cell volume: 1254.11 Cell parameters: 14.6992; 5.6433; 15.2432; 90; 97.333; 90;

COD ID: 2100475
CIF file Original IUCr paper	Formula: - C10 H17 N O5 S - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: C 1 2 1 Cell volume: 1214.26 Cell parameters: 30.9967; 6.9861; 5.617; 90; 93.354; 90;

COD ID: 2100476
CIF file Original IUCr paper	Formula: - C14 H23 N O8 - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 21 21 21 Cell volume: 1641.31 Cell parameters: 6.622; 7.462; 33.216; 90; 90; 90;

COD ID: 2100477
CIF file Original IUCr paper	Formula: - C24 H42 N2 O11 - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 1 Cell volume: 694.14 Cell parameters: 5.9373; 7.0594; 18.3791; 80.254; 88.527; 66.247;

COD ID: 2100478
CIF file Original IUCr paper	Formula: - C17 H23 N O4 S - Comments: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B 62(3) (2006) 498-505 Space group: P 21 21 21 Cell volume: 1731.85 Cell parameters: 5.7491; 7.1665; 42.0343; 90; 90; 90;

COD ID: 2100479
CIF file Original IUCr paper	Formula: - C14 H26 O2 - Comments: Patrick, Brian O.; Brock, Carolyn Pratt S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule Acta Crystallographica, Section B: Structural Science 62(3) (2006) 488-497 Space group: P 1 21 1 Cell volume: 2774.8 Cell parameters: 5.54; 41.653; 12.025; 90; 90.33; 90;

COD ID: 2100480
CIF file Original IUCr paper	Formula: - C14 H26 O2 - Comments: Patrick, Brian O.; Brock, Carolyn Pratt S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule Acta Crystallographica, Section B: Structural Science 62(3) (2006) 488-497 Space group: P 1 21 1 Cell volume: 2703.7 Cell parameters: 5.4816; 41.262; 11.954; 90; 90.39; 90;

COD ID: 2100481
CIF file Original IUCr paper	Formula: - C14 H26 O2 - Comments: Patrick, Brian O.; Brock, Carolyn Pratt S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule Acta Crystallographica, Section B: Structural Science 62(3) (2006) 488-497 Space group: C 1 2/c 1 Cell volume: 2900.9 Cell parameters: 23.153; 11.852; 10.926; 90; 104.64; 90;

COD ID: 2100482
CIF file Original IUCr paper	Formula: - C14 H26 O2 - Comments: Patrick, Brian O.; Brock, Carolyn Pratt S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule Acta Crystallographica, Section B: Structural Science 62(3) (2006) 488-497 Space group: C 1 2/c 1 Cell volume: 2828.6 Cell parameters: 23.161; 11.584; 10.973; 90; 106.1; 90;

COD ID: 2100483

Formula: - C5 H12 O4 -
Comments: Elizabeth A.Zhurova; Vladimir G. Tsirelson; Vladimir V. Zhurov; Adam I. Stash; A. Alan Pinkerton Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study Acta Crystallographica Section B 62(3) (2006) 513-520
Space group: I -4
Cell volume: 314.752
Cell parameters: 6.0867; 6.0867; 8.4958; 90; 90; 90;

COD ID: 2100484
CIF file Original IUCr paper	Formula: - Ag14.52 Cu1.48 S11 Sb2 - Comments: M. Evain; L. Bindi; S. Menchetti Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~ Acta Crystallographica Section B 62(3) (2006) 447-456 Space group: P 3 2 1 Cell volume: 2344.9 Cell parameters: 15.0954; 15.0954; 11.8825; 90; 90; 120;

COD ID: 2100485
CIF file Original IUCr paper	Formula: - Ag14.814 Cu1.186 S11 Sb2 - Comments: M. Evain; L. Bindi; S. Menchetti Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~ Acta Crystallographica Section B 62(3) (2006) 447-456 Space group: C 1 2/c 1 Cell volume: 9418 Cell parameters: 26.188; 15.1199; 23.784; 90; 90; 90;

COD ID: 2100486

Formula: - C22 H20 O3 -
Comments: Cyril A. Fuhre; Kurt Schenk; Robert Häner; Gervais Chapuis; Nicolas Guiblin; Helen Stoeckli-Evans The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C~22~H~20~O~3~ Acta Crystallographica Section B 62(3) (2006) 506-512
Space group: P21/c(\a0\g)00
Cell volume: 1715.7
Cell parameters: 7.2527; 24.951; 9.8959; 90; 106.645; 90;

COD ID: 2100487

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 499.08
Cell parameters: 8.4637; 6.0176; 10.1812; 90; 105.747; 90;

COD ID: 2100488

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 503.73
Cell parameters: 10.2175; 6.0353; 8.486; 90; 105.716; 90;

COD ID: 2100489

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 493.4
Cell parameters: 8.407; 6.0038; 10.1607; 90; 105.829; 90;

COD ID: 2100490

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 481.76
Cell parameters: 8.3155; 5.9607; 10.1123; 90; 106.021; 90;

COD ID: 2100491

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 464.47
Cell parameters: 8.1889; 5.905; 10.01; 90; 106.349; 90;

COD ID: 2100492

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 433.27
Cell parameters: 7.9633; 5.7915; 9.8203; 90; 106.933; 90;

COD ID: 2100493

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 419.83
Cell parameters: 7.8667; 5.7418; 9.7349; 90; 107.299; 90;

COD ID: 2100494

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 411.74
Cell parameters: 7.8065; 5.7061; 9.6871; 90; 107.409; 90;

COD ID: 2100495

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 403.08
Cell parameters: 7.7447; 5.6735; 9.6219; 90; 107.559; 90;

COD ID: 2100496

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 391.49
Cell parameters: 7.6626; 5.6223; 9.5448; 90; 107.815; 90;

COD ID: 2100497

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 387.46
Cell parameters: 7.6343; 5.6073; 9.5122; 90; 107.911; 90;

COD ID: 2100498

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 383.17
Cell parameters: 7.5999; 5.5911; 9.4814; 90; 107.995; 90;

COD ID: 2100499

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 376.28
Cell parameters: 7.5511; 5.5626; 9.4311; 90; 108.221; 90;

COD ID: 2100500

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 373.94
Cell parameters: 7.5316; 5.553; 9.4148; 90; 108.253; 90;

COD ID: 2100501

Formula: - C4 H12 Cl2 Pt S2 -
Comments: Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke Cis/trans isomers of PtX~2~L~2~ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B 62(3) (2006) 474-479
Space group: P 1 21/n 1
Cell volume: 374.04
Cell parameters: 7.5335; 5.5545; 9.4126; 90; 108.256; 90;

COD ID: 2100502

Formula: - C15 H16 N2 O2 -
Comments: Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer Acta Crystallographica Section B 62(3) (2006) 480-487
Space group: P 1 21/n 1
Cell volume: 1296
Cell parameters: 4.001; 25.09; 12.94; 90; 93.65; 90;

COD ID: 2100503

Formula: - C22 H21 N3 O6 -
Comments: Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer Acta Crystallographica Section B 62(3) (2006) 480-487
Space group: P -1
Cell volume: 1031.8
Cell parameters: 7.683; 12.188; 12.562; 114.88; 99.61; 96.03;

COD ID: 2100504

Formula: - C9 H12 N2 O2 -
Comments: Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer Acta Crystallographica Section B 62(3) (2006) 480-487
Space group: P 1 21/c 1
Cell volume: 929.5
Cell parameters: 11.046; 4.8739; 18.027; 90; 106.728; 90;

COD ID: 2100505

Formula: - C16 H17 N3 O6 -
Comments: Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer Acta Crystallographica Section B 62(3) (2006) 480-487
Space group: P 1 21/c 1
Cell volume: 1531.7
Cell parameters: 7.113; 11.797; 18.314; 90; 94.644; 90;

COD ID: 2100506

Formula: - C2 Ca F6 O6 S2 -
Comments: Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science 62(3) (2006) 467-473
Space group: R -3 :H
Cell volume: 847.42
Cell parameters: 5.60549; 5.605486; 31.1417; 90; 90; 120;

COD ID: 2100507

Formula: - C2 Cu F6 O6 S2 -
Comments: Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science 62(3) (2006) 467-473
Space group: P -1
Cell volume: 221.402
Cell parameters: 4.98965; 10.7668; 4.82189; 103.523; 118.085; 79.459;

COD ID: 2100508

Formula: - C2 F6 O6 S2 Zn -
Comments: Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science 62(3) (2006) 467-473
Space group: R -3 :H
Cell volume: 672.27
Cell parameters: 4.97873; 4.97873; 31.3165; 90; 90; 120;

COD ID: 2100509

Formula: - C2 F6 Mg O6 S2 -
Comments: Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science 62(3) (2006) 467-473
Space group: R -3 :H
Cell volume: 685.23
Cell parameters: 5.0494; 5.0494; 31.033; 90; 90; 120;

COD ID: 2100510

Formula: - C2 Ba F6 O6 S2 -
Comments: Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science 62(3) (2006) 467-473
Space group: I 1 2/a 1
Cell volume: 1018.01
Cell parameters: 21.7505; 4.90797; 9.6949; 90; 100.379; 90;

COD ID: 2100511
CIF file Original IUCr paper	Formula: - Na2 O7 Si3 - Comments: Krüger, Hannes; Kahlenberg, Volker; Friese, Karen Na~2~Si~3~O~7~: an incommensurate structure with crenel-type modulation functions, refined from a twinned crystal Acta Crystallographica Section B 62(3) (2006) 440-446 Space group: C2/c(0\b0)s0 Cell volume: 654 Cell parameters: 20.416; 6.4987; 4.9294; 90; 90.26; 90;

COD ID: 2100512

Formula: - Ba2 Nb O6 Y -
Comments: Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of A~2~M^3+^TaO~6~ and A~2~M^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B 62(3) (2006) 384-396
Space group: F m -3 m
Cell volume: 601.455
Cell parameters: 8.44114; 8.44114; 8.44114; 90; 90; 90;

COD ID: 2100513

Formula: - Al Ca2 Nb O6 -
Comments: Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of A~2~M^3+^TaO~6~ and A~2~M^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B 62(3) (2006) 384-396
Space group: P 1 21/n 1
Cell volume: 222.053
Cell parameters: 5.37706; 5.41557; 7.6255; 90; 89.97; 90;

COD ID: 2100514

Formula: - Ca2 Cr O6 Ta -
Comments: Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of A~2~M^3+^TaO~6~ and A~2~M^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B 62(3) (2006) 384-396
Space group: P 1 21/n 1
Cell volume: 230.318
Cell parameters: 5.42609; 5.49922; 7.71863; 90; 90.017; 90;

COD ID: 2100515

Formula: - Cr O6 Sr2 Ta -
Comments: Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of A~2~M^3+^TaO~6~ and A~2~M^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B 62(3) (2006) 384-396
Space group: I 4/m
Cell volume: 244.954
Cell parameters: 5.57516; 5.57516; 7.8808; 90; 90; 90;

COD ID: 2100516

Formula: - Ga O6 Sr2 Ta -
Comments: Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of A~2~M^3+^TaO~6~ and A~2~M^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B 62(3) (2006) 384-396
Space group: I 4/m
Cell volume: 245.413
Cell parameters: 5.57539; 5.57539; 7.8949; 90; 90; 90;

COD ID: 2100517

Formula: - Nb O6 Sc Sr2 -
Comments: Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of A~2~M^3+^TaO~6~ and A~2~M^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B 62(3) (2006) 384-396
Space group: P 1 21/n 1
Cell volume: 261.643
Cell parameters: 5.7045; 5.6973; 8.0505; 90; 90.021; 90;

COD ID: 2100518

Formula: - C4 H7 N O2 -
Comments: Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero Structures of (S)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data Acta Crystallographica Section B 62(4) (2006) 606-611
Space group: P 1 21 1
Cell volume: 243.913
Cell parameters: 6.27983; 7.83799; 5.46295; 90; 114.893; 90;

COD ID: 2100519

Formula: - C4 H5 N O3 -
Comments: Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero Structures of (S)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data Acta Crystallographica Section B 62(4) (2006) 606-611
Space group: P 21 21 21
Cell volume: 499.236
Cell parameters: 8.94684; 7.66956; 7.27555; 90; 90; 90;

COD ID: 2100520

Formula: - C6 D7 N O -
Comments: Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F. Synchrotron and neutron diffraction study of 4-methylpyridine-N-oxide at low temperature Acta Crystallographica Section B 62(4) (2006) 627-633
Space group: I 41/a m d :2
Cell volume: 1236.01
Cell parameters: 7.9411; 7.9411; 19.6002; 90; 90; 90;

COD ID: 2100521

Formula: - C6 D7 N O -
Comments: Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F. Synchrotron and neutron diffraction study of 4-methylpyridine-N-oxide at low temperature Acta Crystallographica Section B 62(4) (2006) 627-633
Space group: F d d d :2
Cell volume: 2431.37
Cell parameters: 12.1382; 10.2367; 19.5676; 90; 90; 90;

COD ID: 2100522

Formula: - C6 D7 N O -
Comments: Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F. Synchrotron and neutron diffraction study of 4-methylpyridine-N-oxide at low temperature Acta Crystallographica Section B 62(4) (2006) 627-633
Space group: P 41
Cell volume: 4673.6
Cell parameters: 15.41038; 15.41038; 19.68; 90; 90; 90;

COD ID: 2100523

Formula: - C9 H14 N2 O2 S -
Comments: V. Tsirelson; A. Stash; V. Potemkin; A. Rykounov; A. Shutalev; E. Zhurova; V. Zhurov; A. A. Pinkerton; G. Gurskaya; V. Zavodnik Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities Acta Crystallographica Section B 62(4) (2006) 676-688
Space group: P -1
Cell volume: 524.22
Cell parameters: 7.2934; 7.8145; 10.2181; 87.055; 70.569; 72.898;

COD ID: 2100524
CIF file Original IUCr paper	Formula: - C5 H4 N4 O - Comments: Harriott Nowell; Christopher S. Frampton; Julie Waite; Sarah L. Price Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole Acta Crystallographica Section B 62(4) (2006) 642-650 Space group: C 1 2/c 1 Cell volume: 1118.89 Cell parameters: 22.0427; 3.9311; 14.234; 90; 114.885; 90;

COD ID: 2100525
CIF file Original IUCr paper	Formula: - C5 H4 N4 O - Comments: Harriott Nowell; Christopher S. Frampton; Julie Waite; Sarah L. Price Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole Acta Crystallographica Section B 62(4) (2006) 642-650 Space group: P 1 21/c 1 Cell volume: 552.5 Cell parameters: 3.7487; 20.8881; 7.0982; 90; 96.257; 90;

COD ID: 2100526
CIF file Original IUCr paper	Formula: - C14 H10 N4 O4 - Comments: Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B 62(4) (2006) 666-675 Space group: P 1 21/n 1 Cell volume: 662.82 Cell parameters: 9.1379; 6.1776; 11.7682; 90; 93.853; 90;

COD ID: 2100527
CIF file Original IUCr paper	Formula: - C14 H10 N4 O4 - Comments: Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B 62(4) (2006) 666-675 Space group: P 1 21/c 1 Cell volume: 658 Cell parameters: 7.7809; 14.7825; 6.2196; 90; 113.106; 90;

COD ID: 2100528
CIF file Original IUCr paper	Formula: - C14 H10 N4 O4 - Comments: Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B 62(4) (2006) 666-675 Space group: P 1 21 1 Cell volume: 668.72 Cell parameters: 7.8036; 7.0914; 12.3424; 90; 101.742; 90;

COD ID: 2100529
CIF file Original IUCr paper	Formula: - C14 H10 N4 O4 - Comments: Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B 62(4) (2006) 666-675 Space group: P 1 21/n 1 Cell volume: 659.29 Cell parameters: 7.0128; 7.6318; 12.8037; 90; 105.825; 90;

COD ID: 2100530
CIF file Original IUCr paper	Formula: - C14 H10 N4 O4 - Comments: Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B 62(4) (2006) 666-675 Space group: C 1 2/c 1 Cell volume: 2653.1 Cell parameters: 30.865; 4.766; 21.736; 90; 123.926; 90;

COD ID: 2100531
CIF file Original IUCr paper	Formula: - C14 H10 N4 O4 - Comments: Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B 62(4) (2006) 666-675 Space group: P 1 21/n 1 Cell volume: 645.48 Cell parameters: 3.7318; 7.2442; 23.9367; 90; 94.053; 90;

COD ID: 2100532

Formula: - C12 H9 Cl N2 O -
Comments: Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 62(4) (2006) 651-665
Space group: P c c n
Cell volume: 2144
Cell parameters: 13.2296; 21.0744; 7.6898; 90; 90; 90;

COD ID: 2100533

Formula: - C13 H11 Cl N2 O -
Comments: Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 62(4) (2006) 651-665
Space group: P -1
Cell volume: 1179.07
Cell parameters: 9.6824; 11.3082; 11.5139; 77.453; 73.445; 87.978;

COD ID: 2100534

Formula: - C12 H10 Cl F N2 O2 -
Comments: Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 62(4) (2006) 651-665
Space group: P -1
Cell volume: 593.32
Cell parameters: 6.8033; 8.1303; 11.5356; 84.032; 84.297; 69.569;

COD ID: 2100535

Formula: - C12 H8 Cl2 N2 O -
Comments: Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 62(4) (2006) 651-665
Space group: P 1 21 1
Cell volume: 2300.2
Cell parameters: 5.0855; 28.982; 15.607; 90; 90.37; 90;

COD ID: 2100536

Formula: - C12 H8 Br Cl N2 O -
Comments: Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 62(4) (2006) 651-665
Space group: P 21 21 21
Cell volume: 1198.33
Cell parameters: 4.881; 13.3448; 18.3974; 90; 90; 90;

COD ID: 2100537

Formula: - C12 H8 Cl I N2 O -
Comments: Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 62(4) (2006) 651-665
Space group: P b c a
Cell volume: 2549.38
Cell parameters: 10.6597; 25.9833; 9.2044; 90; 90; 90;

COD ID: 2100538

Formula: - C13 H11 Cl N2 O2 -
Comments: Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 62(4) (2006) 651-665
Space group: P 21 21 21
Cell volume: 1210.69
Cell parameters: 4.8536; 11.8437; 21.0612; 90; 90; 90;

COD ID: 2100539

Formula: - C13 H8 Cl N3 O -
Comments: Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 62(4) (2006) 651-665
Space group: P -1
Cell volume: 1171.49
Cell parameters: 7.2885; 7.7607; 20.8849; 96.456; 92.913; 91.81;

COD ID: 2100540
CIF file Original IUCr paper	Formula: - Ca2 Co0.9 O7 Si2 Zn0.1 - Comments: Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals Acta Crystallographica, Section B 62(4) (2006) 547-555 Space group: P -4 Cell volume: 2780 Cell parameters: 23.518; 23.518; 5.0263; 90; 90; 90;

COD ID: 2100541
CIF file Original IUCr paper	Formula: - Ca2 Co0.9 O7 Si2 Zn0.1 - Comments: Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals Acta Crystallographica, Section B 62(4) (2006) 547-555 Space group: P 21 21 2 Cell volume: 2780 Cell parameters: 23.518; 23.518; 5.0263; 90; 90; 90;

COD ID: 2100542
CIF file Original IUCr paper	Formula: - C18 H14 Cl N8 O2.5 - Comments: V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B 62(4) (2006) 634-641 Space group: P -1 Cell volume: 1887.81 Cell parameters: 6.9825; 15.7877; 17.878; 100.232; 95.906; 100.567;

COD ID: 2100543
CIF file Original IUCr paper	Formula: - C22 H22 N8 O3 - Comments: V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B 62(4) (2006) 634-641 Space group: P 1 21/c 1 Cell volume: 2153.81 Cell parameters: 11.2816; 24.0888; 8.1651; 90; 103.917; 90;

COD ID: 2100544
CIF file Original IUCr paper	Formula: - C26 H30 N8 O5 - Comments: V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B 62(4) (2006) 634-641 Space group: P -1 Cell volume: 2439.15 Cell parameters: 12.6218; 14.0932; 15.6948; 72.867; 71.328; 70.635;

COD ID: 2100545
CIF file Original IUCr paper	Formula: - C20 H20 N8 O4 S - Comments: V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B 62(4) (2006) 634-641 Space group: P -1 Cell volume: 1099.89 Cell parameters: 10.149; 10.5112; 11.4025; 110.185; 97.964; 99.651;

COD ID: 2100546

Formula: - C4 H4 N2 O S -
Comments: Munshi, Parthapratim; Guru Row, T. N. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis Acta Crystallographica Section B 62(4) (2006) 612-626
Space group: P -1
Cell volume: 256.32
Cell parameters: 4.2427; 5.9648; 10.5801; 105.736; 94.912; 91.927;

COD ID: 2100547
CIF file Original IUCr paper	Formula: - C4 H7 N3 O2 - Comments: Munshi, Parthapratim; Guru Row, T. N. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis Acta Crystallographica Section B 62(4) (2006) 612-626 Space group: P 1 21/c 1 Cell volume: 560.49 Cell parameters: 7.7161; 9.8337; 7.5131; 90; 100.523; 90;

COD ID: 2100548
CIF file Original IUCr paper	Formula: - C7 H6 O3 - Comments: Munshi, Parthapratim; Guru Row, T. N. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis Acta Crystallographica Section B 62(4) (2006) 612-626 Space group: P 1 21/c 1 Cell volume: 613.61 Cell parameters: 4.8818; 11.2009; 11.2335; 90; 92.621; 90;

COD ID: 2100549
CIF file Original IUCr paper	Formula: - Cr2 O7 P2 - Comments: Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B 62(4) (2006) 556-566 Space group: C2/m(\a0\g)0s Cell volume: 258.708 Cell parameters: 7.0192; 8.4063; 4.6264; 90; 108.611; 90;

COD ID: 2100550
CIF file Original IUCr paper	Formula: - Cr2 O7 P2 - Comments: Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B 62(4) (2006) 556-566 Space group: C2/m(\a0\g)0s Cell volume: 260.322 Cell parameters: 7.0464; 8.4073; 4.6394; 90; 108.708; 90;

COD ID: 2100551

Formula: - Cr2 O7 P2 -
Comments: Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B 62(4) (2006) 556-566
Space group: I 1 2/c 1
Cell volume: 1561.93
Cell parameters: 21.1392; 8.4073; 9.2788; 90; 108.708; 90;

COD ID: 2100552

Formula: - C5 H6 N2 O Se -
Comments: C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-n-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B 62(4) (2006) 580-591
Space group: P 1 21/c 1
Cell volume: 620.71
Cell parameters: 4.3411; 14.756; 9.69; 90; 90.157; 90;

COD ID: 2100553

Formula: - C6 H8 N2 O Se -
Comments: C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-n-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B 62(4) (2006) 580-591
Space group: P -1
Cell volume: 1148.5
Cell parameters: 8.394; 10.029; 14.931; 101.023; 100.893; 105.705;

COD ID: 2100554

Formula: - C7 H10 N2 O Se -
Comments: C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-n-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B 62(4) (2006) 580-591
Space group: P b c a
Cell volume: 3425
Cell parameters: 10.568; 11.257; 28.79; 90; 90; 90;

COD ID: 2100555

Formula: - C7 H10 N2 O Se -
Comments: C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-n-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B 62(4) (2006) 580-591
Space group: P -1
Cell volume: 1311
Cell parameters: 8.9192; 10.6403; 15.1965; 106.019; 105.366; 96.166;

COD ID: 2100556

Formula: - C8 H12 Cl2 N2 O Se -
Comments: C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-n-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B 62(4) (2006) 580-591
Space group: P -1
Cell volume: 1190.7
Cell parameters: 8.841; 11.259; 12.424; 90.45; 105.35; 92.945;

COD ID: 2100557

Formula: - C7 H10 I2 N2 O Se -
Comments: C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-n-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B 62(4) (2006) 580-591
Space group: P -1
Cell volume: 615.3
Cell parameters: 6.603; 7.7; 13.037; 75.969; 86.808; 73.113;

COD ID: 2100558

Formula: - C24 H30 N8 O6 Se2 -
Comments: C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-n-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B 62(4) (2006) 580-591
Space group: P -1
Cell volume: 663.91
Cell parameters: 4.833; 9.797; 14.1796; 83.49; 84.431; 89.353;

COD ID: 2100559

Formula: - C28 H34 N8 O4 Se2 -
Comments: C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-n-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B 62(4) (2006) 580-591
Space group: P -1
Cell volume: 704.9
Cell parameters: 5.0717; 11.8615; 11.9385; 83.161; 82.785; 84.358;

COD ID: 2100560

Formula: - C7 H10 N2 O2 -
Comments: C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-n-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B 62(4) (2006) 580-591
Space group: R -3 :H
Cell volume: 3407.6
Cell parameters: 19.9444; 19.9444; 9.8918; 90; 90; 120;

COD ID: 2100561
CIF file Original IUCr paper	Formula: - La O3 Ti0.5 Zn0.5 - Comments: R. Ubic; Y. Hu; I. Abrahams Neutron and electron diffraction studies of La(Zn~1/2~Ti~1/2~)O~3~ perovskite Acta Crystallographica Section B 62(4) (2006) 521-529 Space group: P 1 21/n 1 Cell volume: 246.584 Cell parameters: 7.895; 5.5964; 5.5809; 90; 90.034; 90;

COD ID: 2100562
CIF file Original IUCr paper	Formula: - C6 D10 O - Comments: R. M. Ibberson The low-temperature phase III structure and phase transition behaviour of cyclohexanone Acta Crystallographica Section B 62(4) (2006) 592-598 Space group: P 1 21/n 1 Cell volume: 569.443 Cell parameters: 11.7105; 7.1198; 6.8621; 90; 95.5627; 90;

COD ID: 2100563
CIF file Original IUCr paper	Formula: - C4 H10 O - Comments: P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B 62(4) (2006) 599-605 Space group: P -3 Cell volume: 2155 Cell parameters: 17.55; 17.55; 8.08; 90; 90; 120;

COD ID: 2100564
CIF file Original IUCr paper	Formula: - C4 H10 O - Comments: P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C~4~H~10~O) Acta Crystallographica Section B 62(4) (2006) 599-605 Space group: P -3 Cell volume: 2383 Cell parameters: 18.0946; 18.0946; 8.4041; 90; 90; 120;

COD ID: 2100565
CIF file Original IUCr paper	Formula: - C4 H10 O - Comments: P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B 62(4) (2006) 599-605 Space group: P -1 Cell volume: 754.136 Cell parameters: 6.0631; 9.0661; 14.4494; 85.248; 78.531; 75.8;

COD ID: 2100566
CIF file Original IUCr paper	Formula: - C4 H10 O - Comments: P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B 62(4) (2006) 599-605 Space group: P -1 Cell volume: 797.53 Cell parameters: 6.2027; 9.1431; 14.7554; 86.373; 78.776; 76.363;

COD ID: 2100567
CIF file Original IUCr paper	Formula: - C4 H10 O - Comments: P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B 62(4) (2006) 599-605 Space group: P -3 Cell volume: 2112.5 Cell parameters: 17.4389; 17.4389; 8.021; 90; 90; 120;

COD ID: 2100568
CIF file Original IUCr paper	Formula: - C4 H10 O - Comments: P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B 62(4) (2006) 599-605 Space group: P -3 Cell volume: 2170.76 Cell parameters: 17.5898; 17.5898; 8.1014; 90; 90; 120;

COD ID: 2100569

Formula: - Ba Bi O3 -
Comments: Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B 62(4) (2006) 537-546
Space group: P 1 21/n 1
Cell volume: 327.183
Cell parameters: 6.1741; 6.12484; 8.6522; 90; 90.2691; 90;

COD ID: 2100570

Formula: - Ba Bi O3 -
Comments: Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B 62(4) (2006) 537-546
Space group: I 1 2/m 1
Cell volume: 328.395
Cell parameters: 6.18505; 6.13219; 8.65846; 90; 90.2288; 90;

COD ID: 2100571

Formula: - Ba Bi O3 -
Comments: Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B 62(4) (2006) 537-546
Space group: R -3 :H
Cell volume: 497.344
Cell parameters: 6.17944; 6.17944; 15.0393; 90; 90; 120;

COD ID: 2100572

Formula: - Ba Bi O3 -
Comments: Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B 62(4) (2006) 537-546
Space group: F m -3 m
Cell volume: 675.879
Cell parameters: 8.77586; 8.77586; 8.77586; 90; 90; 90;

COD ID: 2100573

Formula: - Ba2 Bi O6 Sb -
Comments: Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B 62(4) (2006) 537-546
Space group: I 1 2/m 1
Cell volume: 310.713
Cell parameters: 6.06777; 6.01862; 8.50818; 90; 90.2161; 90;

COD ID: 2100574

Formula: - Ba2 Bi O6 Sb -
Comments: Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B 62(4) (2006) 537-546
Space group: R -3 :H
Cell volume: 469.658
Cell parameters: 6.05716; 6.05716; 14.7813; 90; 90; 120;

COD ID: 2100575

Formula: - Ba2 Bi O6 Sb -
Comments: Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B 62(4) (2006) 537-546
Space group: F m -3 m
Cell volume: 631.48
Cell parameters: 8.5793; 8.57934; 8.57934; 90; 90; 90;

COD ID: 2100576
CIF file Original IUCr paper	Formula: - C12 H15 N3 O6 - Comments: Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B 62(2) (2006) 864-874 Space group: P 63/m Cell volume: 708.68 Cell parameters: 10.9992; 10.9992; 6.7639; 90; 90; 120;

COD ID: 2100577
CIF file Original IUCr paper	Formula: - C9 H15 N3 O6 - Comments: Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B 62(2) (2006) 864-874 Space group: P 21/n Cell volume: 1173.34 Cell parameters: 10.4105; 13.1294; 8.6735; 90; 98.222; 90;

COD ID: 2100578
CIF file Original IUCr paper	Formula: - C12 H15 N3 O6 - Comments: Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B 62(2) (2006) 864-874 Space group: P 63/m Cell volume: 705.72 Cell parameters: 10.983; 10.983; 6.7555; 90; 90; 120;

COD ID: 2100579
CIF file Original IUCr paper	Formula: - C15 H18 O6 - Comments: Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B 62(2) (2006) 864-874 Space group: P 61 Cell volume: 2265.18 Cell parameters: 11.3588; 11.3588; 20.2725; 90; 90; 120;

COD ID: 2100580

Formula: - C9 H10 N2 O2 -
Comments: Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C. Accurate molecular structures and hydrogen bonding in two polymorphs of ortho-acetamidobenzamide by single-crystal neutron diffraction Acta Crystallographica Section B 62(5) (2006) 926-930
Space group: P 1 21/n 1
Cell volume: 856.2
Cell parameters: 4.8591; 14.395; 12.25; 90; 92.151; 90;

COD ID: 2100581

Formula: - C9 H10 N2 O2 -
Comments: Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C. Accurate molecular structures and hydrogen bonding in two polymorphs of ortho-acetamidobenzamide by single-crystal neutron diffraction Acta Crystallographica Section B 62(5) (2006) 926-930
Space group: P 1 21/c 1
Cell volume: 860.2
Cell parameters: 7.788; 8.972; 12.547; 90; 101.12; 90;

COD ID: 2100582
CIF file Original IUCr paper	Formula: - C13 H9 I N2 O3 - Comments: Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B 62(2) (2006) 931-943 Space group: P 1 21/c 1 Cell volume: 1281.68 Cell parameters: 13.1804; 7.5099; 13.8849; 90; 111.163; 90;

COD ID: 2100583
CIF file Original IUCr paper	Formula: - C13 H9 I N2 O3 - Comments: Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B 62(2) (2006) 931-943 Space group: P 1 c 1 Cell volume: 624.63 Cell parameters: 10.0528; 4.8703; 13.5719; 90; 109.945; 90;

COD ID: 2100584
CIF file Original IUCr paper	Formula: - C13 H9 I N2 O3 - Comments: Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B 62(2) (2006) 931-943 Space group: P 1 21 1 Cell volume: 1267.97 Cell parameters: 11.0552; 8.9521; 12.8921; 90; 96.3899; 90;

COD ID: 2100585
CIF file Original IUCr paper	Formula: - C13 H9 I N2 O3 - Comments: Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B 62(2) (2006) 931-943 Space group: C 1 c 1 Cell volume: 1265.03 Cell parameters: 13.8494; 10.0495; 9.4203; 90; 105.235; 90;

COD ID: 2100586
CIF file Original IUCr paper	Formula: - C13 H9 I N2 O3 - Comments: Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B 62(2) (2006) 931-943 Space group: P 1 21/n 1 Cell volume: 1242.95 Cell parameters: 7.4798; 14.0889; 11.8138; 90; 93.259; 90;

COD ID: 2100587
CIF file Original IUCr paper	Formula: - C13 H9 I N2 O3 - Comments: Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B 62(2) (2006) 931-943 Space group: P -1 Cell volume: 1275.23 Cell parameters: 5.1047; 15.3015; 16.4806; 95.356; 95.498; 91.15;

COD ID: 2100588
CIF file Original IUCr paper	Formula: - C11 H11 N O5 Zn - Comments: S. M. Hawxwell; H. Adams; L. Brammer Two-dimensional metal-organic frameworks containing linear dicarboxylates Acta Crystallographica Section B 62(5) (2006) 808-814 Space group: P -1 Cell volume: 604 Cell parameters: 7.9853; 8.959; 9.055; 103.228; 100.715; 99.844;

COD ID: 2100589
CIF file Original IUCr paper	Formula: - C28 H24 O14 Zn3 - Comments: S. M. Hawxwell; H. Adams; L. Brammer Two-dimensional metal-organic frameworks containing linear dicarboxylates Acta Crystallographica Section B 62(5) (2006) 808-814 Space group: C 1 2/c 1 Cell volume: 3126.7 Cell parameters: 19.236; 10.588; 16.247; 90; 109.109; 90;

COD ID: 2100590
CIF file Original IUCr paper	Formula: - C36 H44 N4 O18 Zn3 - Comments: S. M. Hawxwell; H. Adams; L. Brammer Two-dimensional metal-organic frameworks containing linear dicarboxylates Acta Crystallographica Section B 62(5) (2006) 808-814 Space group: P 1 21/c 1 Cell volume: 2198.6 Cell parameters: 12.968; 9.761; 18.336; 90; 108.69; 90;

COD ID: 2100591

Formula: - C60 H66 N6 O18 Zn3 -
Comments: S. M. Hawxwell; H. Adams; L. Brammer Two-dimensional metal-organic frameworks containing linear dicarboxylates Acta Crystallographica Section B 62(5) (2006) 808-814
Space group: P 1 21/n 1
Cell volume: 3309
Cell parameters: 11.777; 14.727; 19.487; 90; 101.748; 90;

COD ID: 2100592
CIF file Original IUCr paper	Formula: - C3 D7 N O3 - Comments: S. A. Moggach; W. G. Marshall; S. Parsons High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa Acta Crystallographica, Section B 62(4) (2006) 815-825 Space group: P 21 21 21 Cell volume: 390.29 Cell parameters: 8.3096; 8.595; 5.4647; 90; 90; 90;

COD ID: 2100593
CIF file Original IUCr paper	Formula: - C3 D7 N O3 - Comments: S. A. Moggach; W. G. Marshall; S. Parsons High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa Acta Crystallographica, Section B 62(4) (2006) 815-825 Space group: P 21 21 21 Cell volume: 371.24 Cell parameters: 6.87; 9.6396; 5.6058; 90; 90; 90;

COD ID: 2100594
CIF file Original IUCr paper	Formula: - C3 D7 N O3 - Comments: S. A. Moggach; W. G. Marshall; S. Parsons High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa Acta Crystallographica, Section B 62(4) (2006) 815-825 Space group: P 21 21 21 Cell volume: 356.38 Cell parameters: 6.6874; 9.5815; 5.5619; 90; 90; 90;

COD ID: 2100595
CIF file Original IUCr paper	Formula: - C3 D7 N O3 - Comments: S. A. Moggach; W. G. Marshall; S. Parsons High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa Acta Crystallographica, Section B 62(4) (2006) 815-825 Space group: P 21 21 21 Cell volume: 350.4 Cell parameters: 6.5477; 9.5405; 5.6092; 90; 90; 90;

COD ID: 2100596

Formula: - C3 H4 K N3 O4 -
Comments: G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B 62(5) (2006) 798-807
Space group: C 1 2/m 1
Cell volume: 1258.9
Cell parameters: 11.037; 16.419; 7.1497; 90; 103.68; 90;

COD ID: 2100597

Formula: - C3 H K2 N3 O3 -
Comments: G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B 62(5) (2006) 798-807
Space group: C m c m
Cell volume: 589.5
Cell parameters: 13.062; 6.62; 6.817; 90; 90; 90;

COD ID: 2100598

Formula: - C12 D17 K3 N12 O16 -
Comments: G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B 62(5) (2006) 798-807
Space group: C 1 2/m 1
Cell volume: 2457
Cell parameters: 12.8143; 16.3214; 11.8498; 90; 97.52; 90;

COD ID: 2100599

Formula: - C12 D17 K3 N12 O16 -
Comments: G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B 62(5) (2006) 798-807
Space group: I 1 2/a 1
Cell volume: 4923.8
Cell parameters: 12.824; 16.332; 23.713; 90; 97.514; 90;

COD ID: 2100600

Formula: - C12 H16 N12 O16 Rb3 -
Comments: G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B 62(5) (2006) 798-807
Space group: C 1 2/m 1
Cell volume: 2552.2
Cell parameters: 13.1499; 16.6185; 11.8444; 90; 99.584; 90;

COD ID: 2100601
CIF file Original IUCr paper	Formula: - C6 H10 O5 - Comments: L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study Acta Crystallographica, Section B 62(2) (2006) 912-918 Space group: P 21 21 21 Cell volume: 664.232 Cell parameters: 6.6614; 13.3104; 7.4914; 90; 90; 90;

COD ID: 2100602
CIF file Original IUCr paper	Formula: - C6 H10 O5 - Comments: L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study Acta Crystallographica, Section B 62(2) (2006) 912-918 Space group: P 21 21 21 Cell volume: 661.799 Cell parameters: 6.656; 13.314; 7.468; 90; 90; 90;

COD ID: 2100603

Formula: - C10 H8 -
Comments: F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B 62(5) (2006) 826-842
Space group: P 1 21/a 1
Cell volume: 337.65
Cell parameters: 8.0348; 5.8899; 8.565; 90; 123.59; 90;

COD ID: 2100604

Formula: - C10 H8 -
Comments: F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B 62(5) (2006) 826-842
Space group: P 1 21/a 1
Cell volume: 333.74
Cell parameters: 7.9948; 5.8726; 8.542; 90; 123.677; 90;

COD ID: 2100605

Formula: - C10 H8 -
Comments: F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B 62(5) (2006) 826-842
Space group: P 1 21/a 1
Cell volume: 320.44
Cell parameters: 7.8523; 5.8106; 8.474; 90; 124.027; 90;

COD ID: 2100606

Formula: - C10 H8 -
Comments: F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B 62(5) (2006) 826-842
Space group: P 1 21/a 1
Cell volume: 303.71
Cell parameters: 7.6778; 5.721; 8.395; 90; 124.55; 90;

COD ID: 2100607

Formula: - C16 H10 -
Comments: F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B 62(5) (2006) 826-842
Space group: P 1 21/a 1
Cell volume: 498
Cell parameters: 15.35; 3.852; 8.65; 90; 103.3; 90;

COD ID: 2100608

Formula: - C16 H10 -
Comments: F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B 62(5) (2006) 826-842
Space group: P 1 21/a 1
Cell volume: 477.81
Cell parameters: 15.309; 3.8375; 8.3341; 90; 102.606; 90;

COD ID: 2100609
CIF file Original IUCr paper	Formula: - Al Ca Si - Comments: K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf Modulated corrugations in the crystal structure of the superconductor CaAlSi Acta Crystallographica, Section B 62(1) (2006) 710-718 Space group: P -6 m 2 Cell volume: 397.8 Cell parameters: 4.1772; 4.1772; 26.3246; 90; 90; 120;

COD ID: 2100610
CIF file Original IUCr paper	Formula: - Al Ca Si - Comments: K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf Modulated corrugations in the crystal structure of the superconductor CaAlSi Acta Crystallographica, Section B 62(1) (2006) 710-718 Space group: P -6 m 2 Cell volume: 331.5 Cell parameters: 4.1772; 4.1772; 21.9372; 90; 90; 120;

COD ID: 2100611

Formula: - Ga0.444 O3.556 Ti1.444 -
Comments: Michiue, Yuichi; Yamamoto, Akiji; Tanaka, Masahiko Superspace description of the homologous series Ga~4~Ti~m-4~O~2m-2~ with the crystallographic shear structure based on rutile Acta Crystallographica, Section B 62(2) (2006) 737-744
Space group: P2/m(\a1/2\g)00
Cell volume: 57.6416
Cell parameters: 4.0904; 2.9755; 4.7359; 90; 90.2935; 90;

COD ID: 2100612

Formula: - Cu0.299 Pb0.951 S3.357 Sb0.406 Sn0.851 -
Comments: M. Evain; V. Petricek; Y. Moëlo; C. Maurel First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals Acta Crystallographica Section B 62(5) (2006) 775-789
Space group: C -1
Cell volume: 275.72
Cell parameters: 3.6733; 6.312; 11.9039; 92.484; 90.687; 89.941;

COD ID: 2100613
CIF file Original IUCr paper	Formula: - C15 H12 O3 - Comments: V. Bertolasi; L. Pretto; G. Gilli; P. Gilli π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs) Acta Crystallographica, Section B 62(4) (2006) 850-863 Space group: C 1 2/c 1 Cell volume: 2339.2 Cell parameters: 27.299; 5.4343; 17.576; 90; 116.215; 90;

COD ID: 2100614
CIF file Original IUCr paper	Formula: - C15 H11 Cl O3 - Comments: V. Bertolasi; L. Pretto; G. Gilli; P. Gilli π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs) Acta Crystallographica, Section B 62(4) (2006) 850-863 Space group: P 1 21/n 1 Cell volume: 1276.9 Cell parameters: 13.932; 5.3108; 17.878; 90; 105.137; 90;

COD ID: 2100615
CIF file Original IUCr paper	Formula: - C16 H14 O3 - Comments: V. Bertolasi; L. Pretto; G. Gilli; P. Gilli π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs) Acta Crystallographica, Section B 62(4) (2006) 850-863 Space group: P c a 21 Cell volume: 2609 Cell parameters: 17.602; 6.8423; 21.662; 90; 90; 90;

COD ID: 2100616
CIF file Original IUCr paper	Formula: - C16 H13 Cl O3 - Comments: V. Bertolasi; L. Pretto; G. Gilli; P. Gilli π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs) Acta Crystallographica, Section B 62(4) (2006) 850-863 Space group: P 1 21/n 1 Cell volume: 1357.4 Cell parameters: 14.147; 5.33; 18.618; 90; 104.777; 90;

COD ID: 2100617
CIF file Original IUCr paper	Formula: - C14 H14 Cl N O6 - Comments: V. Bertolasi; L. Pretto; G. Gilli; P. Gilli π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs) Acta Crystallographica, Section B 62(4) (2006) 850-863 Space group: P -1 Cell volume: 699.89 Cell parameters: 5.6849; 9.028; 14.8742; 74.923; 83.543; 71.815;

COD ID: 2100618

Formula: - C45 H67 N9 O11 S -
Comments: Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies Acta Crystallographica, Section B 62(4) (2006) 889-896
Space group: P 21 21 21
Cell volume: 4871
Cell parameters: 11.359; 18.383; 23.325; 90; 90; 90;

COD ID: 2100619

Formula: - C37 H48 N4 O4 S -
Comments: Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies Acta Crystallographica, Section B 62(4) (2006) 889-896
Space group: P 1 21 1
Cell volume: 3517.4
Cell parameters: 14.0346; 9.8834; 25.617; 90; 98.152; 90;

COD ID: 2100620
CIF file Original IUCr paper	Formula: - C6 H31 N5 O15 P2 - Comments: Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate Acta Crystallographica, Section B 62(2) (2006) 919-925 Space group: P 1 21 1 Cell volume: 1955.2 Cell parameters: 7.851; 21.976; 11.332; 90; 90; 90;

COD ID: 2100621
CIF file Original IUCr paper	Formula: - C6 H31 N5 O15 P2 - Comments: Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate Acta Crystallographica, Section B 62(2) (2006) 919-925 Space group: P 21 21 21 Cell volume: 977.6 Cell parameters: 7.851; 21.976; 5.666; 90; 90; 90;

COD ID: 2100622
CIF file Original IUCr paper	Formula: - C6 H31 N5 O15 P2 - Comments: Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate Acta Crystallographica, Section B 62(2) (2006) 919-925 Space group: P 1 21 1 Cell volume: 1960.3 Cell parameters: 7.851; 22.048; 11.325; 90; 90.04; 90;

COD ID: 2100623
CIF file Original IUCr paper	Formula: - C6 H31 N5 O15 P2 - Comments: Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate Acta Crystallographica, Section B 62(2) (2006) 919-925 Space group: P 1 21 1 Cell volume: 1965 Cell parameters: 7.855; 22.105; 11.317; 90; 90.05; 90;

COD ID: 2100624
CIF file Original IUCr paper	Formula: - C6 H31 N5 O15 P2 - Comments: Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate Acta Crystallographica, Section B 62(2) (2006) 919-925 Space group: P 1 21 1 Cell volume: 1971.3 Cell parameters: 7.861; 22.163; 11.315; 90; 90.06; 90;

COD ID: 2100625
CIF file Original IUCr paper	Formula: - H2 O4 P Tl - Comments: Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G. Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature Acta Crystallographica, Section B 62(4) (2006) 719-728 Space group: P 1 21/a 1 Cell volume: 423.2 Cell parameters: 14.331; 4.535; 6.514; 90; 91.67; 90;

COD ID: 2100626
CIF file Original IUCr paper	Formula: - H2 O4 P Tl - Comments: Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G. Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature Acta Crystallographica, Section B 62(4) (2006) 719-728 Space group: P 1 21/a 1 Cell volume: 418.2 Cell parameters: 14.26; 4.517; 6.497; 90; 92.19; 90;

COD ID: 2100627
CIF file Original IUCr paper	Formula: - H8 O16 P4 Tl4 - Comments: Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G. Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature Acta Crystallographica, Section B 62(4) (2006) 719-728 Space group: C -1 Cell volume: 1668.4 Cell parameters: 28.483; 9.016; 6.502; 90.09; 92.21; 90.49;

COD ID: 2100628
CIF file Original IUCr paper	Formula: - Ag14.585 As0.337 Cu1.415 S8.341 Sb1.663 Se2.659 - Comments: M. Evain; L. Bindi; S. Menchetti Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2] Acta Crystallographica, Section B 62(4) (2006) 768-774 Space group: P -3 m 1 Cell volume: 603.12 Cell parameters: 7.595; 7.595; 12.0731; 90; 90; 120;

COD ID: 2100629
CIF file Original IUCr paper	Formula: - Ag14.691 Cu1.309 S8.369 Sb2 Se2.631 - Comments: M. Evain; L. Bindi; S. Menchetti Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2] Acta Crystallographica, Section B 62(4) (2006) 768-774 Space group: P 1 21/c 1 Cell volume: 2366.4 Cell parameters: 13.1426; 7.5879; 23.729; 90; 90; 90;

COD ID: 2100630

Formula: - C21 H18 O5 -
Comments: R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone Acta Crystallographica, Section B 62(4) (2006) 843-849
Space group: P 1 21/c 1
Cell volume: 1677.39
Cell parameters: 8.367; 8.4724; 23.6852; 90; 92.514; 90;

COD ID: 2100631

Formula: - C22 H20 O5 -
Comments: R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone Acta Crystallographica, Section B 62(4) (2006) 843-849
Space group: P 1 21/n 1
Cell volume: 1789.9
Cell parameters: 9.0604; 19.0147; 10.5963; 90; 101.333; 90;

COD ID: 2100632

Formula: - C52 H52 O10 -
Comments: R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone Acta Crystallographica, Section B 62(4) (2006) 843-849
Space group: P n a 21
Cell volume: 4447.3
Cell parameters: 11.9602; 18.6249; 19.9648; 90; 90; 90;

COD ID: 2100633

Formula: - C12 H36 Mo8 N4 O30 -
Comments: M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content Acta Crystallographica, Section B 62(2) (2006) 790-797
Space group: P -1
Cell volume: 2565
Cell parameters: 12.3378; 14.417; 16.1439; 100.927; 106.487; 104.11;

COD ID: 2100634