Search results

Formula: - C6 H24 N6 O4 S Zn -
Comments: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section B 67(1) (2011) 53-62
Space group: P -3 1 c
Cell volume: 664.46
Cell parameters: 8.9594; 8.9594; 9.5583; 90; 90; 120;

COD ID: 2104881

Formula: - C6 H24 N6 O4 S Zn -
Comments: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section B 67(1) (2011) 53-62
Space group: P -3 1 c
Cell volume: 665.986
Cell parameters: 8.9649; 8.9649; 9.5685; 90; 90; 120;

COD ID: 2104882

Formula: - C6 H24 N6 O4 S Zn -
Comments: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section B 67(1) (2011) 53-62
Space group: P -3 1 c
Cell volume: 667.78
Cell parameters: 8.9696; 8.9696; 9.5842; 90; 90; 120;

COD ID: 2104883

Formula: - C6 H24 N6 O4 S Zn -
Comments: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section B 67(1) (2011) 53-62
Space group: P -3 1 c
Cell volume: 670.094
Cell parameters: 8.979; 8.979; 9.5973; 90; 90; 120;

COD ID: 2104884

Formula: - C6 H24 N6 O4 S Zn -
Comments: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section B 67(1) (2011) 53-62
Space group: P -3 1 c
Cell volume: 671.55
Cell parameters: 8.9855; 8.9855; 9.6043; 90; 90; 120;

COD ID: 2104885

Formula: - C6 H24 N6 O4 S Zn -
Comments: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section B 67(1) (2011) 53-62
Space group: P -3 1 c
Cell volume: 673.07
Cell parameters: 8.9929; 8.9929; 9.6101; 90; 90; 120;

COD ID: 2104886

Formula: - C6 H24 Cu N6 O4 S -
Comments: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section B 67(1) (2011) 53-62
Space group: P -3 1 c
Cell volume: 662.66
Cell parameters: 8.9387; 8.9387; 9.5766; 90; 90; 120;

COD ID: 2104887

Formula: - C6 H24 Cu N6 O4 S -
Comments: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section B 67(1) (2011) 53-62
Space group: P -3 1 c
Cell volume: 663.936
Cell parameters: 8.9445; 8.9445; 9.5826; 90; 90; 120;

COD ID: 2104888

Formula: - C6 H24 Cu N6 O4 S -
Comments: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section B 67(1) (2011) 53-62
Space group: P -3 1 c
Cell volume: 665.293
Cell parameters: 8.9513; 8.9513; 9.5876; 90; 90; 120;

COD ID: 2104889

Formula: - C6 H24 Cu N6 O4 S -
Comments: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section B 67(1) (2011) 53-62
Space group: P -3 1 c
Cell volume: 666.517
Cell parameters: 8.9572; 8.9572; 9.5926; 90; 90; 120;

COD ID: 2104890

Formula: - C6 H24 Cu N6 O4 S -
Comments: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate Acta Crystallographica Section B 67(1) (2011) 53-62
Space group: P -3 1 c
Cell volume: 668.375
Cell parameters: 8.9664; 8.9664; 9.5996; 90; 90; 120;

COD ID: 2104891

Formula: - C12 H16 Mn N8 O6 V2 -
Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [M(Im)~4~V~2~O~6~]~{∞~}; M = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52
Space group: I 41/a :2
Cell volume: 15706.9
Cell parameters: 23.0354; 23.0354; 29.6005; 90; 90; 90;

COD ID: 2104892

Formula: - C12 H16 Mn N8 O6 V2 -
Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [M(Im)~4~V~2~O~6~]~{∞~}; M = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52
Space group: I 41/a :2
Cell volume: 15750.5
Cell parameters: 23.0473; 23.0473; 29.6521; 90; 90; 90;

COD ID: 2104893

Formula: - C12 H16 Mn N8 O6 V2 -
Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [M(Im)~4~V~2~O~6~]~{∞~}; M = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52
Space group: I 41/a :2
Cell volume: 15794.1
Cell parameters: 23.0645; 23.0645; 29.6897; 90; 90; 90;

COD ID: 2104894

Formula: - C12 H16 Mn N8 O6 V2 -
Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [M(Im)~4~V~2~O~6~]~{∞~}; M = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52
Space group: P 42/n :2
Cell volume: 3953.4
Cell parameters: 16.3271; 16.3271; 14.8304; 90; 90; 90;

COD ID: 2104895

Formula: - C12 H16 Mn N8 O6 V2 -
Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [M(Im)~4~V~2~O~6~]~{∞~}; M = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52
Space group: P 42/n :2
Cell volume: 3962.74
Cell parameters: 16.3615; 16.3615; 14.803; 90; 90; 90;

COD ID: 2104896

Formula: - C12 H16 Co N8 O6 V2 -
Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [M(Im)~4~V~2~O~6~]~{∞~}; M = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52
Space group: I 41/a :2
Cell volume: 15294.5
Cell parameters: 22.8606; 22.8606; 29.2658; 90; 90; 90;

COD ID: 2104897

Formula: - C12 H16 Co N8 O6 V2 -
Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [M(Im)~4~V~2~O~6~]~{∞~}; M = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52
Space group: I 41/a :2
Cell volume: 15331.1
Cell parameters: 22.8863; 22.8863; 29.27; 90; 90; 90;

COD ID: 2104898

Formula: - C12 H16 Co N8 O6 V2 -
Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [M(Im)~4~V~2~O~6~]~{∞~}; M = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52
Space group: P 42/n :2
Cell volume: 3845.04
Cell parameters: 16.2544; 16.2544; 14.5532; 90; 90; 90;

COD ID: 2104899

Formula: - C12 H16 Co N8 O6 V2 -
Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [M(Im)~4~V~2~O~6~]~{∞~}; M = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52
Space group: P 42/n :2
Cell volume: 3864.7
Cell parameters: 16.2666; 16.2666; 14.6057; 90; 90; 90;

COD ID: 2104900

Formula: - C12 H16 N8 Ni O6 V2 -
Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [M(Im)~4~V~2~O~6~]~{∞~}; M = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52
Space group: P 1 2/n 1
Cell volume: 3788.64
Cell parameters: 16.1379; 14.3657; 16.3422; 90; 90.1205; 90;

COD ID: 2104901

Formula: - C12 H16 N8 Ni O6 V2 -
Comments: Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [M(Im)~4~V~2~O~6~]~{∞~}; M = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B 67(1) (2011) 41-52
Space group: P 42/n :2
Cell volume: 3820.27
Cell parameters: 16.1988; 16.1988; 14.5589; 90; 90; 90;

COD ID: 2104902

Formula: - C15 H12 O8 -
Comments: Domagała, Sławomir; Munshi, Parthapratim; Ahmed, Maqsood; Guillot, Benoît; Jelsch, Christian Structural analysis and multipole modelling of quercetin monohydrate ‒ a quantitative and comparative study Acta Crystallographica Section B 67(1) (2011) 63-78
Space group: P 1 21/c 1
Cell volume: 1272.6
Cell parameters: 8.737; 4.852; 30.16; 90; 95.52; 90;

COD ID: 2104903

COD ID: 2104904

COD ID: 2104905
CIF file Original IUCr paper	Formula: - Al O4 P - Comments: Kanzaki, Masami; Xue, Xianyu; Reibstein, Sindy; Berryman, Eleanor; Namgung, Seonyi Structures of two new high-pressure forms of AlPO~4~ by X-ray powder diffraction and NMR spectroscopy Acta Crystallographica Section B 67(1) (2011) 30-40 Space group: P -1 Cell volume: 365.895 Cell parameters: 6.1328; 7.5151; 8.5801; 98.263; 104.622; 102.14;

COD ID: 2104906

Formula: - Al O4 P -
Comments: Kanzaki, Masami; Xue, Xianyu; Reibstein, Sindy; Berryman, Eleanor; Namgung, Seonyi Structures of two new high-pressure forms of AlPO~4~ by X-ray powder diffraction and NMR spectroscopy Acta Crystallographica Section B 67(1) (2011) 30-40
Space group: P 1 21/c 1
Cell volume: 729.656
Cell parameters: 6.13219; 14.3465; 8.5762; 90; 104.743; 90;

COD ID: 2104907
CIF file Original IUCr paper	Formula: - H13 N3 O8 S2 - Comments: Sohn, Yoo Jung; Sparta, Karine M.; Meven, Martin; Heger, Gernot Disorder of (NH~4~)~3~H(SO~4~)~2~ in the high-temperature phase I Acta Crystallographica Section B 67(2) (2011) 116-121 Space group: R -3 m :H Cell volume: 682 Cell parameters: 5.907; 5.907; 22.57; 90; 90; 120;

COD ID: 2104908

Formula: - C10 H13 Cl N2 O3 S -
Comments: Drebushchak, Tatiana N.; Drebushchak, Valeri A.; Boldyreva, Elena V. Solid-state transformations in the β-form of chlorpropamide on cooling to 100K Acta Crystallographica Section B 67(2) (2011) 163-176
Space group: P 1 2/c 1
Cell volume: 2582.71
Cell parameters: 14.5882; 9.2584; 19.1532; 90; 93.26; 90;

COD ID: 2104909
CIF file Original IUCr paper	Formula: - C10 H13 Cl N2 O3 S - Comments: Drebushchak, Tatiana N.; Drebushchak, Valeri A.; Boldyreva, Elena V. Solid-state transformations in the β-form of chlorpropamide on cooling to 100K Acta Crystallographica Section B 67(2) (2011) 163-176 Space group: P 1 2/n 1 Cell volume: 5026.6 Cell parameters: 28.4475; 9.2322; 19.2298; 90; 95.562; 90;

COD ID: 2104910

Formula: - C5 H8 N4 O4 -
Comments: Gryl, Marlena; Krawczuk-Pantula, Anna; Stadnicka, Katarzyna Charge-density analysis in polymorphs of urea‒barbituric acid co-crystals Acta Crystallographica Section B 67(2) (2011) 144-154
Space group: P 1 21/c 1
Cell volume: 759.99
Cell parameters: 7.8123; 6.9384; 14.1179; 90; 96.727; 90;

COD ID: 2104911

Formula: - C5 H8 N4 O4 -
Comments: Gryl, Marlena; Krawczuk-Pantula, Anna; Stadnicka, Katarzyna Charge-density analysis in polymorphs of urea‒barbituric acid co-crystals Acta Crystallographica Section B 67(2) (2011) 144-154
Space group: C 1 c 1
Cell volume: 787.15
Cell parameters: 16.0474; 5.028; 10.3879; 90; 110.093; 90;

COD ID: 2104912

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4583.3
Cell parameters: 16.182; 16.518; 17.876; 90; 106.42; 90;

COD ID: 2104913

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4587.4
Cell parameters: 16.188; 16.526; 17.876; 90; 106.41; 90;

COD ID: 2104914

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4591.8
Cell parameters: 16.194; 16.533; 17.878; 90; 106.4; 90;

COD ID: 2104915

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4596.2
Cell parameters: 16.2; 16.54; 17.88; 90; 106.39; 90;

COD ID: 2104916

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4602
Cell parameters: 16.208; 16.55; 17.882; 90; 106.38; 90;

COD ID: 2104917

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4607
Cell parameters: 16.214; 16.56; 17.882; 90; 106.36; 90;

COD ID: 2104918

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4612.8
Cell parameters: 16.222; 16.571; 17.882; 90; 106.34; 90;

COD ID: 2104919

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4618.6
Cell parameters: 16.23; 16.584; 17.88; 90; 106.32; 90;

COD ID: 2104920

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4625.2
Cell parameters: 16.238; 16.598; 17.878; 90; 106.28; 90;

COD ID: 2104921

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4628.6
Cell parameters: 16.242; 16.608; 17.874; 90; 106.26; 90;

COD ID: 2104922

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4632
Cell parameters: 16.246; 16.618; 17.87; 90; 106.24; 90;

COD ID: 2104923

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4636.6
Cell parameters: 16.25; 16.631; 17.866; 90; 106.2; 90;

COD ID: 2104924

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4640.6
Cell parameters: 16.254; 16.644; 17.86; 90; 106.17; 90;

COD ID: 2104925

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: P 1 21 1
Cell volume: 1161.1
Cell parameters: 8.129; 16.658; 8.926; 90; 106.13; 90;

COD ID: 2104926

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: P 1 21 1
Cell volume: 1161.8
Cell parameters: 8.13; 16.666; 8.925; 90; 106.11; 90;

COD ID: 2104927

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: P 1 21 1
Cell volume: 1163.2
Cell parameters: 8.134; 16.675; 8.926; 90; 106.09; 90;

COD ID: 2104928

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: P 1 21 1
Cell volume: 1164.1
Cell parameters: 8.137; 16.679; 8.927; 90; 106.08; 90;

COD ID: 2104929

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: P 1 21 1
Cell volume: 1165.7
Cell parameters: 8.141; 16.687; 8.93; 90; 106.07; 90;

COD ID: 2104930

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: P 1 21 1
Cell volume: 1166.7
Cell parameters: 8.145; 16.688; 8.932; 90; 106.06; 90;

COD ID: 2104931

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: P 1 21 1
Cell volume: 1168.2
Cell parameters: 8.15; 16.693; 8.935; 90; 106.05; 90;

COD ID: 2104932

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: P 1 21 1
Cell volume: 1170.7
Cell parameters: 8.158; 16.699; 8.941; 90; 106.03; 90;

COD ID: 2104933

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: P 1 21 1
Cell volume: 1173.2
Cell parameters: 8.167; 16.703; 8.948; 90; 106.02; 90;

COD ID: 2104934

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: P 1 21 1
Cell volume: 1176.9
Cell parameters: 8.18; 16.701; 8.96; 90; 105.96; 90;

COD ID: 2104935

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: P 1 21 1
Cell volume: 1171.34
Cell parameters: 8.1578; 16.6971; 8.9482; 90; 106.05; 90;

COD ID: 2104936

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4640
Cell parameters: 16.2526; 16.6254; 17.8851; 90; 106.233; 90;

COD ID: 2104937

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4629.66
Cell parameters: 16.2401; 16.6007; 17.8912; 90; 106.295; 90;

COD ID: 2104938

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4617.18
Cell parameters: 16.2238; 16.5763; 17.8917; 90; 106.344; 90;

COD ID: 2104939

Formula: - C10 H34 N2 Ni O18 -
Comments: Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory Acta Crystallographica Section B 67(2) (2011) 130-143
Space group: B 1 21 1
Cell volume: 4591.08
Cell parameters: 16.1879; 16.5322; 17.8839; 90; 106.413; 90;

COD ID: 2104940

Formula: - C12 H40 Cd3 Cl10 N4 -
Comments: Gagor, Anna; Waśkowska, Alicja; Czapla, Zbigniew; Dacko, Slawomir Structural phase transitions in tetra(isopropylammonium) decachlorotricadmate(II), [(CH~3~)~2~CHNH~3~]~4~Cd~3~Cl~10~, crystal with a two-dimensional cadmium(II) halide network Acta Crystallographica Section B 67(2) (2011) 122-129
Space group: C m c a
Cell volume: 3227.5
Cell parameters: 7.4634; 22.0476; 19.6139; 90; 90; 90;

COD ID: 2104941

Formula: - C12 H40 Cd3 Cl10 N4 -
Comments: Gagor, Anna; Waśkowska, Alicja; Czapla, Zbigniew; Dacko, Slawomir Structural phase transitions in tetra(isopropylammonium) decachlorotricadmate(II), [(CH~3~)~2~CHNH~3~]~4~Cd~3~Cl~10~, crystal with a two-dimensional cadmium(II) halide network Acta Crystallographica Section B 67(2) (2011) 122-129
Space group: P b c a
Cell volume: 3189.7
Cell parameters: 7.4298; 22.0791; 19.4442; 90; 90; 90;

COD ID: 2104942

Formula: - C12 H40 Cd3 Cl10 N4 -
Comments: Gagor, Anna; Waśkowska, Alicja; Czapla, Zbigniew; Dacko, Slawomir Structural phase transitions in tetra(isopropylammonium) decachlorotricadmate(II), [(CH~3~)~2~CHNH~3~]~4~Cd~3~Cl~10~, crystal with a two-dimensional cadmium(II) halide network Acta Crystallographica Section B 67(2) (2011) 122-129
Space group: P 21 21 21
Cell volume: 3155.75
Cell parameters: 7.3918; 22.0135; 19.3938; 90; 90; 90;

COD ID: 2104943

Formula: - C6 H14 O -
Comments: Hammer, Sonja M.; Alig, Edith; Fink, Lothar; Schmidt, Martin U. Predicted and experimental crystal structures of ethyl-tert-butyl ether Acta Crystallographica Section B 67(2) (2011) 155-162
Space group: C 1 2/m 1
Cell volume: 698.59
Cell parameters: 14.717; 7.76462; 6.22813; 90; 101.015; 90;

COD ID: 2104944

Formula: - C20 H36 N4 O4 -
Comments: Lemmerer, Andreas Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature Acta Crystallographica Section B 67(2) (2011) 177-192
Space group: P 1 21/n 1
Cell volume: 2123.45
Cell parameters: 6.0341; 30.9087; 11.7024; 90; 103.366; 90;

COD ID: 2104945

Formula: - C20 H22 F2 N4 O4 -
Comments: Lemmerer, Andreas Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature Acta Crystallographica Section B 67(2) (2011) 177-192
Space group: P 1 21/n 1
Cell volume: 1935.4
Cell parameters: 6.1529; 26.9424; 11.8758; 90; 100.553; 90;

COD ID: 2104946

Formula: - C22 H28 N4 O4 -
Comments: Lemmerer, Andreas Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature Acta Crystallographica Section B 67(2) (2011) 177-192
Space group: P 1 21/n 1
Cell volume: 2087.8
Cell parameters: 6.1754; 28.234; 12.154; 90; 99.869; 90;

COD ID: 2104947

Formula: - C24 H28 N4 O4 -
Comments: Lemmerer, Andreas Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature Acta Crystallographica Section B 67(2) (2011) 177-192
Space group: C m c 21
Cell volume: 2198.55
Cell parameters: 30.803; 9.6904; 7.3655; 90; 90; 90;

COD ID: 2104948

Formula: - C20 H26 N6 O10 -
Comments: Lemmerer, Andreas Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature Acta Crystallographica Section B 67(2) (2011) 177-192
Space group: C 1 2/c 1
Cell volume: 2235.39
Cell parameters: 12.0807; 7.473; 25.0633; 90; 98.909; 90;

COD ID: 2104949

Formula: - C14 H24 N4 O4 -
Comments: Lemmerer, Andreas Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature Acta Crystallographica Section B 67(2) (2011) 177-192
Space group: P 1 21/m 1
Cell volume: 744.29
Cell parameters: 5.9169; 21.6383; 6.1135; 90; 108.028; 90;

COD ID: 2104950

Formula: - C14 H24 N4 O4 -
Comments: Lemmerer, Andreas Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature Acta Crystallographica Section B 67(2) (2011) 177-192
Space group: F d d 2
Cell volume: 6180.4
Cell parameters: 23.7999; 44.9245; 5.7804; 90; 90; 90;

COD ID: 2104951
CIF file Original IUCr paper	Formula: - Rb2 S - Comments: Santamaria-Perez, David; Vegas, Angel; Muehle, Claus; Jansen, Martin High-pressure experimental study on Rb~2~S: antifluorite to Ni~2~In-type phase transitions Acta Crystallographica Section B 67(2) (2011) 109-115 Space group: P 63/m m c Cell volume: 166.044 Cell parameters: 5.30756; 5.30756; 6.80615; 90; 90; 120;

COD ID: 2104952
CIF file Original IUCr paper	Formula: - Rb2 S - Comments: Santamaria-Perez, David; Vegas, Angel; Muehle, Claus; Jansen, Martin High-pressure experimental study on Rb~2~S: antifluorite to Ni~2~In-type phase transitions Acta Crystallographica Section B 67(2) (2011) 109-115 Space group: P n m a Cell volume: 414.8 Cell parameters: 8.167; 5.101; 9.957; 90; 90; 90;

COD ID: 2104953

Formula: - C28 H16 O2 -
Comments: Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon The effect of pressure on the crystal structure of bianthrone Acta Crystallographica Section B 67(3) (2011) 226-237
Space group: P 1 21/n 1
Cell volume: 941.85
Cell parameters: 10.186; 8.4277; 11.6457; 90; 109.591; 90;

COD ID: 2104954

Formula: - C28 H16 O2 -
Comments: Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon The effect of pressure on the crystal structure of bianthrone Acta Crystallographica Section B 67(3) (2011) 226-237
Space group: P 1 21/n 1
Cell volume: 851.3
Cell parameters: 9.9825; 7.8892; 11.4879; 90; 109.78; 90;

COD ID: 2104955

Formula: - C28 H16 O2 -
Comments: Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon The effect of pressure on the crystal structure of bianthrone Acta Crystallographica Section B 67(3) (2011) 226-237
Space group: P 1 21/n 1
Cell volume: 814.3
Cell parameters: 9.9021; 7.6543; 11.4225; 90; 109.86; 90;

COD ID: 2104956

Formula: - C28 H16 O2 -
Comments: Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon The effect of pressure on the crystal structure of bianthrone Acta Crystallographica Section B 67(3) (2011) 226-237
Space group: P 1 21/n 1
Cell volume: 782.8
Cell parameters: 9.8354; 7.4567; 11.3543; 90; 109.939; 90;

COD ID: 2104957

Formula: - C28 H16 O2 -
Comments: Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon The effect of pressure on the crystal structure of bianthrone Acta Crystallographica Section B 67(3) (2011) 226-237
Space group: P 1 21/n 1
Cell volume: 758.75
Cell parameters: 9.7854; 7.2988; 11.3074; 90; 110.028; 90;

COD ID: 2104958

Formula: - C28 H16 O2 -
Comments: Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon The effect of pressure on the crystal structure of bianthrone Acta Crystallographica Section B 67(3) (2011) 226-237
Space group: P 1 21/n 1
Cell volume: 744.19
Cell parameters: 9.7527; 7.2058; 11.2786; 90; 110.132; 90;

COD ID: 2104959

Formula: - C28 H16 O2 -
Comments: Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon The effect of pressure on the crystal structure of bianthrone Acta Crystallographica Section B 67(3) (2011) 226-237
Space group: P 1 21/n 1
Cell volume: 730.4
Cell parameters: 9.7286; 7.1123; 11.2468; 90; 110.186; 90;

COD ID: 2104960

Formula: - C28 H16 O2 -
Comments: Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon The effect of pressure on the crystal structure of bianthrone Acta Crystallographica Section B 67(3) (2011) 226-237
Space group: P 1 21/n 1
Cell volume: 720.4
Cell parameters: 9.7119; 7.041; 11.2282; 90; 110.229; 90;

COD ID: 2104961

Formula: - C18 H8 Br4 O2 S8 -
Comments: García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA Acta Crystallographica Section B 67(3) (2011) 244-249
Space group: P 1 21/n 1
Cell volume: 1271.1
Cell parameters: 10.3653; 11.7998; 11.0749; 90; 110.217; 90;

COD ID: 2104962

Formula: - C18 H8 Br4 O2 S8 -
Comments: García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA Acta Crystallographica Section B 67(3) (2011) 244-249
Space group: P 1 21/n 1
Cell volume: 1233.44
Cell parameters: 10.2781; 11.5982; 11.0418; 90; 110.434; 90;

COD ID: 2104963

Formula: - C18 H8 Br4 O2 S8 -
Comments: García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA Acta Crystallographica Section B 67(3) (2011) 244-249
Space group: P 1 21/n 1
Cell volume: 1215.71
Cell parameters: 10.2507; 11.5276; 10.9799; 90; 110.446; 90;

COD ID: 2104964

Formula: - Na O3 Ti1.25 -
Comments: Andrusenko, Iryna; Mugnaioli, Enrico; Gorelik, Tatiana E.; Koll, Dominik; Panthöfer, Martin; Tremel, Wolfgang; Kolb, Ute Structure analysis of titanate nanorods by automated electron diffraction tomography Acta Crystallographica Section B 67(3) (2011) 218-225
Space group: C 1 2/m 1
Cell volume: 669.4
Cell parameters: 21.555; 3.7583; 11.926; 90; 136.14; 90;

COD ID: 2104965

Formula: - Al14 Ca12 O33 -
Comments: Sakakura, Terutoshi; Tanaka, Kiyoaki; Takenaka, Yasuyuki; Matsuishi, Satoru; Hosono, Hideo; Kishimoto, Shunji Determination of the local structure of a cage with an oxygen ion in Ca~12~Al~14~O~33~ Acta Crystallographica Section B 67(3) (2011) 193-204
Space group: I -4 3 d
Cell volume: 1723.3
Cell parameters: 11.989; 11.989; 11.989; 90; 90; 90;

COD ID: 2104966

Formula: - C8 H8 N2 O2 -
Comments: Zarychta, Bartosz; Zaleski, Jacek; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Jelsch, Christian Charge-density analysis of 1-nitroindoline: refinement quality using free R factors and restraints Acta Crystallographica Section B 67(3) (2011) 250-262
Space group: P -1
Cell volume: 362.99
Cell parameters: 5.7913; 8.2458; 8.9223; 116.823; 104.589; 91.602;

COD ID: 2104967

Formula: - C15 H24 N3 O3 P -
Comments: Gholivand, Khodayar; Mahzouni, Hamid Reza Solid-state and gas-phase structures of two conformers of N-(4-methylphenyl)-N',N''-bis(morpholinyl) phosphoric triamide; insights from X-ray crystallography and DFT calculations Acta Crystallographica Section B 67(3) (2011) 238-243
Space group: P 1 21/n 1
Cell volume: 3348.3
Cell parameters: 9.517; 10.723; 32.993; 90; 96.029; 90;

COD ID: 2104968

Formula: - C84 H106 B2 Co2 N4 O10 -
Comments: Deutsch, Maxime; Claiser, Nicolas; Gillet, Jean-Michel; Lecomte, Claude; Sakiyama, Hiroshi; Tone, Katsuya; Souhassou, Mohamed d-Orbital orientation in a dimer cobalt complex: link to magnetic properties? Acta Crystallographica Section B 67(4) (2011) 324-332
Space group: C 1 2/c 1
Cell volume: 7562.7
Cell parameters: 22.8118; 19.2667; 17.3077; 90; 96.176; 90;

COD ID: 2104969

Formula: - C20 H30 N2 O4 Sn2 -
Comments: Korlyukov, Alexander A.; Khrustalev, Victor N.; Vologzhanina, Anna V.; Lyssenko, Konstantin A.; Nechaev, Mikhail. S.; Antipin, Mikhail Yu. Bis(μ^2^-2-(dimethylamino)ethoxo-N,O,O)-di(phenolato-O)ditin(II): a high-resolution single-crystal X-ray diffraction and quantum chemical study Acta Crystallographica Section B 67(4) (2011) 315-323
Space group: P b c a
Cell volume: 2319.66
Cell parameters: 13.0745; 12.9669; 13.6824; 90; 90; 90;

COD ID: 2104970

Formula: - C10 H10 N4 O2 -
Comments: Paul, Agnieszka; Kubicki, Maciej; Jelsch, Christian; Durand, Pierrick; Lecomte, Claude R-free factor and experimental charge-density analysis of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole: a crystal structure with Z' = 2 Acta Crystallographica Section B 67(4) (2011) 365-378
Space group: P 1 21/c 1
Cell volume: 2057.99
Cell parameters: 11.0299; 10.0921; 18.6365; 90; 97.238; 90;

COD ID: 2104971

Formula: - C3 H5 Cl O S -
Comments: Rodríguez Pirani, Lucas; Erben, Mauricio F.; Boese, Roland; Pozzi, C. Gustavo; Fantoni, Adolfo C.; Della Védova, Carlos O. Conformational preference of chlorothioformate species: molecular structure of ethyl chlorothioformate, ClC(O)SCH~2~CH~3~, in the solid phase and NBO analysis Acta Crystallographica Section B 67(4) (2011) 350-356
Space group: P 1 21/c 1
Cell volume: 563.79
Cell parameters: 9.4763; 5.8288; 11.0764; 90; 112.853; 90;

COD ID: 2104972

Formula: - Ca H1.25 O4.625 Se -
Comments: Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure Acta Crystallographica Section B 67(4) (2011) 293-301
Space group: P 32 2 1
Cell volume: 2333.67
Cell parameters: 14.1681; 14.1681; 13.4241; 90; 90; 120;

COD ID: 2104973

Formula: - Ca H1.25 O4.625 Se -
Comments: Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure Acta Crystallographica Section B 67(4) (2011) 293-301
Space group: P 32 2 1
Cell volume: 2301.8
Cell parameters: 14.1035; 14.1035; 13.3622; 90; 90; 120;

COD ID: 2104974

Formula: - C7 H4 Cl2 O -
Comments: Solanko, Katarzyna A.; Bond, Andrew D. Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers Acta Crystallographica Section B 67(5) (2011) 437-445
Space group: P 1 21/c 1
Cell volume: 680.47
Cell parameters: 3.7888; 13.7784; 13.0368; 90; 90.979; 90;

COD ID: 2104975

Formula: - C7 H4 Cl2 O -
Comments: Solanko, Katarzyna A.; Bond, Andrew D. Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers Acta Crystallographica Section B 67(5) (2011) 437-445
Space group: P -1
Cell volume: 526.6
Cell parameters: 3.815; 7.829; 17.895; 89.091; 85.728; 81.115;

COD ID: 2104976

Formula: - C7 H4 Cl2 O -
Comments: Solanko, Katarzyna A.; Bond, Andrew D. Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers Acta Crystallographica Section B 67(5) (2011) 437-445
Space group: P 1 21 1
Cell volume: 351.54
Cell parameters: 3.8094; 14.8887; 6.2014; 90; 91.849; 90;

COD ID: 2104977

Formula: - C7 H4 Cl2 O -
Comments: Solanko, Katarzyna A.; Bond, Andrew D. Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers Acta Crystallographica Section B 67(5) (2011) 437-445
Space group: P 1 21/n 1
Cell volume: 1428
Cell parameters: 3.7785; 31.353; 12.058; 90; 91.546; 90;

COD ID: 2104978

Formula: - C6 H4 S2 Tl2 -
Comments: Stone, Kevin H.; Turner, Dayna L.; Singh, Mayank Pratap; Vaid, Thomas P.; Stephens, Peter W. Hidden superlattice in Tl~2~(SC~6~H~4~S) and Tl~2~(SeC~6~H~4~Se) solved from powder X-ray diffraction Acta Crystallographica Section B 67(5) (2011) 409-415
Space group: P -1
Cell volume: 404.86
Cell parameters: 6.5525; 6.8444; 9.5265; 71.798; 85.988; 89.219;

COD ID: 2104979

Formula: - C6 H4 Se2 Tl2 -
Comments: Stone, Kevin H.; Turner, Dayna L.; Singh, Mayank Pratap; Vaid, Thomas P.; Stephens, Peter W. Hidden superlattice in Tl~2~(SC~6~H~4~S) and Tl~2~(SeC~6~H~4~Se) solved from powder X-ray diffraction Acta Crystallographica Section B 67(5) (2011) 409-415
Space group: P -1
Cell volume: 426.725
Cell parameters: 6.67438; 6.84998; 9.82649; 72.513; 84.79; 88.659;

COD ID: 2104980

Formula: - C2 H8 Ca O6 P2 -
Comments: Mermer, Adrian; Starynowicz, Przemysław Charge-density distribution in hydrogen methylphosphonates of calcium and lithium Acta Crystallographica Section B 67(5) (2011) 399-408
Space group: C 1 2/c 1
Cell volume: 788.4
Cell parameters: 20.403; 5.601; 7.274; 90; 108.48; 90;

COD ID: 2104981

Formula: - C H4 Li O3 P -
Comments: Mermer, Adrian; Starynowicz, Przemysław Charge-density distribution in hydrogen methylphosphonates of calcium and lithium Acta Crystallographica Section B 67(5) (2011) 399-408
Space group: P 1 21/c 1
Cell volume: 398.1
Cell parameters: 9.267; 4.604; 9.384; 90; 96.12; 90;

COD ID: 2104982

Formula: - C46 H44 F10 O4 Ta2 -
Comments: Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K. Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^t^Bu)(CH~2~R)~2~ with pentafluorophenol Acta Crystallographica Section B 67(5) (2011) 416-424
Space group: P -1
Cell volume: 1037.3
Cell parameters: 9.239; 11.647; 11.803; 117.25; 96.37; 106.63;

COD ID: 2104983

Formula: - C24 H46 N Ta -
Comments: Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K. Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^t^Bu)(CH~2~R)~2~ with pentafluorophenol Acta Crystallographica Section B 67(5) (2011) 416-424
Space group: P 1 21/c 1
Cell volume: 2449.1
Cell parameters: 9.083; 16.216; 16.872; 90; 99.76; 90;

COD ID: 2104984

Formula: - C34 H15 F20 O4 Ta -
Comments: Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K. Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^t^Bu)(CH~2~R)~2~ with pentafluorophenol Acta Crystallographica Section B 67(5) (2011) 416-424
Space group: P b c m
Cell volume: 3333.6
Cell parameters: 8.341; 26.389; 15.145; 90; 90; 90;

COD ID: 2104985

Formula: - C51 H38 F20 O6 Ta2 -
Comments: Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K. Effects of the [OC~6~F~5~] moiety upon structural geometry: crystal structures of half-sandwich tantalum(V) aryloxide complexes from reaction of Cp*Ta(N^t^Bu)(CH~2~R)~2~ with pentafluorophenol Acta Crystallographica Section B 67(5) (2011) 416-424
Space group: P 1 21/n 1
Cell volume: 4933.9
Cell parameters: 12.793; 15.242; 25.708; 90; 100.178; 90;

COD ID: 2104986

Formula: - C13 H14 N2 O3 -
Comments: Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia Molecular origins of commercial laser dye functionality in azacoumarins and 2-quinolones: LD 425, LD 489 and LD 473 Acta Crystallographica Section B 67(6) (2011) 560-568
Space group: P 1 21/c 1
Cell volume: 2342
Cell parameters: 7.061; 24.489; 13.93; 90; 103.481; 90;

COD ID: 2104987

Formula: - C15 H15 F3 N2 O2 -
Comments: Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia Molecular origins of commercial laser dye functionality in azacoumarins and 2-quinolones: LD 425, LD 489 and LD 473 Acta Crystallographica Section B 67(6) (2011) 560-568
Space group: P 1 21/c 1
Cell volume: 1423.44
Cell parameters: 8.9941; 11.2954; 14.3536; 90; 102.537; 90;

COD ID: 2104988

Formula: - C17 H19 F3 N2 O -
Comments: Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia Molecular origins of commercial laser dye functionality in azacoumarins and 2-quinolones: LD 425, LD 489 and LD 473 Acta Crystallographica Section B 67(6) (2011) 560-568
Space group: P 1 21/c 1
Cell volume: 1581.43
Cell parameters: 12.1853; 12.2242; 10.6361; 90; 93.4529; 90;

COD ID: 2104989

Formula: - Al F6 H12 N3 -
Comments: Udovenko, Anatoly A.; Laptash, Natalia M. Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~ Acta Crystallographica Section B 67(6) (2011) 447-454
Space group: F m -3 m
Cell volume: 713.99
Cell parameters: 8.9378; 8.9378; 8.9378; 90; 90; 90;

COD ID: 2104990

Formula: - F5 H12 N3 O Ti -
Comments: Udovenko, Anatoly A.; Laptash, Natalia M. Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~ Acta Crystallographica Section B 67(6) (2011) 447-454
Space group: F m -3 m
Cell volume: 757.15
Cell parameters: 9.1144; 9.1144; 9.1144; 90; 90; 90;

COD ID: 2104991

Formula: - F5 K O Rb2 Ti -
Comments: Udovenko, Anatoly A.; Laptash, Natalia M. Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~ Acta Crystallographica Section B 67(6) (2011) 447-454
Space group: F m -3 m
Cell volume: 705.017
Cell parameters: 8.9002; 8.9002; 8.9002; 90; 90; 90;

COD ID: 2104992
CIF file Original IUCr paper	Formula: - F5 K O Rb2 Ti - Comments: Udovenko, Anatoly A.; Laptash, Natalia M. Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~ Acta Crystallographica Section B 67(6) (2011) 447-454 Space group: F m -3 m Cell volume: 702.1 Cell parameters: 8.8879; 8.8879; 8.8879; 90; 90; 90;

COD ID: 2104993

Formula: - C5.38 H5.38 O24 Si12 -
Comments: Kamiya, Natsumi; Iwama, Wataru; Kudo, Tomokazu; Nasuno, Tomomi; Fujiyama, Shinjiro; Nishi, Koji; Yokomori, Yoshinobu Determining the structure of a benzene7.2-silicalite-1 zeolite using a single-crystal X-ray method Acta Crystallographica Section B 67(6) (2011) 508-515
Space group: P n m a
Cell volume: 5301
Cell parameters: 19.92; 19.88; 13.386; 90; 90; 90;

COD ID: 2104994

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: I 1 2/m 1
Cell volume: 1236.4
Cell parameters: 12.37; 12.57; 8.114; 90; 101.48; 90;

COD ID: 2104995

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/m 1
Cell volume: 1220.7
Cell parameters: 12.303; 12.543; 8.049; 90; 100.65; 90;

COD ID: 2104996

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: B 1 21 1
Cell volume: 16981
Cell parameters: 31.013; 12.56; 56.246; 90; 129.19; 90;

COD ID: 2104997

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: B 1 21 1
Cell volume: 16666
Cell parameters: 30.632; 12.594; 55.955; 90; 129.46; 90;

COD ID: 2104998

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2373.6
Cell parameters: 11.943; 12.693; 15.982; 90; 101.56; 90;

COD ID: 2104999

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2376.8
Cell parameters: 11.955; 12.692; 15.988; 90; 101.55; 90;

COD ID: 2105000

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2379.5
Cell parameters: 11.967; 12.69; 15.993; 90; 101.55; 90;

COD ID: 2105001

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2382.9
Cell parameters: 11.981; 12.688; 15.999; 90; 101.54; 90;

COD ID: 2105002

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2386.2
Cell parameters: 11.995; 12.685; 16.005; 90; 101.52; 90;

COD ID: 2105003

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2389
Cell parameters: 12.008; 12.681; 16.01; 90; 101.5; 90;

COD ID: 2105004

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2392.7
Cell parameters: 12.024; 12.678; 16.016; 90; 101.47; 90;

COD ID: 2105005

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2396.3
Cell parameters: 12.041; 12.673; 16.022; 90; 101.44; 90;

COD ID: 2105006

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2400.2
Cell parameters: 12.059; 12.668; 16.028; 90; 101.4; 90;

COD ID: 2105007

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2404.1
Cell parameters: 12.079; 12.661; 16.034; 90; 101.36; 90;

COD ID: 2105008

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2407.9
Cell parameters: 12.1; 12.652; 16.04; 90; 101.3; 90;

COD ID: 2105009

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2410.1
Cell parameters: 12.112; 12.647; 16.043; 90; 101.27; 90;

COD ID: 2105010

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2412.3
Cell parameters: 12.124; 12.641; 16.047; 90; 101.23; 90;

COD ID: 2105011

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/c 1
Cell volume: 2414.5
Cell parameters: 12.137; 12.635; 16.05; 90; 101.19; 90;

COD ID: 2105012

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/m 1
Cell volume: 1219.4
Cell parameters: 12.297; 12.539; 8.047; 90; 100.66; 90;

COD ID: 2105013

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/m 1
Cell volume: 1223.4
Cell parameters: 12.319; 12.54; 8.062; 90; 100.8; 90;

COD ID: 2105014

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/m 1
Cell volume: 1219.4
Cell parameters: 12.295; 12.542; 8.046; 90; 100.63; 90;

COD ID: 2105015

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/m 1
Cell volume: 1223.3
Cell parameters: 12.319; 12.545; 8.057; 90; 100.76; 90;

COD ID: 2105016

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/m 1
Cell volume: 1226.3
Cell parameters: 12.336; 12.548; 8.068; 90; 100.9; 90;

COD ID: 2105017

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/m 1
Cell volume: 1229.2
Cell parameters: 12.349; 12.549; 8.082; 90; 101.05; 90;

COD ID: 2105018

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/m 1
Cell volume: 1230.9
Cell parameters: 12.35; 12.554; 8.093; 90; 101.2; 90;

COD ID: 2105019

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: P 1 21/m 1
Cell volume: 1233
Cell parameters: 12.362; 12.557; 8.102; 90; 101.36; 90;

COD ID: 2105020

COD ID: 2105021

Formula: - C10 H36 N2 Ni O19 -
Comments: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of ca 40K Acta Crystallographica Section B 67(6) (2011) 486-498
Space group: I 1 2/m 1
Cell volume: 1236.2
Cell parameters: 12.379; 12.558; 8.12; 90; 101.68; 90;

COD ID: 2105022

Formula: - C6 H10 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/c 1
Cell volume: 732.1
Cell parameters: 11.581; 4.2812; 15.282; 90; 104.938; 90;

COD ID: 2105023

Formula: - C6 H10 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/c 1
Cell volume: 744.3
Cell parameters: 11.734; 4.3096; 15.276; 90; 105.525; 90;

COD ID: 2105024

Formula: - C4 H6 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/n 1
Cell volume: 282.1
Cell parameters: 3.9101; 11.907; 6.221; 90; 103.1; 90;

COD ID: 2105025
CIF file Original IUCr paper	Formula: - C4 H6 O4 - Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534 Space group: P 1 21/n 1 Cell volume: 277.6 Cell parameters: 3.873; 11.875; 6.205; 90; 103.37; 90;

COD ID: 2105026

Formula: - C4 H6 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/n 1
Cell volume: 275.1
Cell parameters: 3.851; 11.84; 6.227; 90; 104.31; 90;

COD ID: 2105027

Formula: - C4 H6 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/n 1
Cell volume: 267.48
Cell parameters: 3.8083; 11.742; 6.1664; 90; 104.06; 90;

COD ID: 2105028

Formula: - C4 H6 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/n 1
Cell volume: 265.76
Cell parameters: 3.7844; 11.751; 6.1753; 90; 104.59; 90;

COD ID: 2105029

Formula: - C8 H14 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/c 1
Cell volume: 493.1
Cell parameters: 4.3575; 9.949; 11.384; 90; 92.483; 90;

COD ID: 2105030

Formula: - C8 H14 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/c 1
Cell volume: 478.1
Cell parameters: 4.2679; 9.947; 11.272; 90; 92.444; 90;

COD ID: 2105031

Formula: - C10 H18 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P -1
Cell volume: 295.9
Cell parameters: 4.593; 4.702; 14.03; 95.896; 97.964; 96.656;

COD ID: 2105032

Formula: - C10 H18 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P -1
Cell volume: 271.6
Cell parameters: 4.36; 4.611; 13.954; 81.486; 81.175; 81.044;

COD ID: 2105033

Formula: - C10 H18 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/c 1
Cell volume: 1206.3
Cell parameters: 11.197; 10.778; 11.454; 90; 119.23; 90;

COD ID: 2105034

Formula: - C10 H18 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/c 1
Cell volume: 1200
Cell parameters: 11.183; 10.752; 11.405; 90; 118.95; 90;

COD ID: 2105035
CIF file Original IUCr paper	Formula: - C10 H18 O4 - Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534 Space group: P 1 21/c 1 Cell volume: 1191.7 Cell parameters: 11.163; 10.72; 11.359; 90; 118.75; 90;

COD ID: 2105036
CIF file Original IUCr paper	Formula: - C10 H18 O4 - Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534 Space group: P 1 21/c 1 Cell volume: 1183.2 Cell parameters: 11.138; 10.686; 11.324; 90; 118.61; 90;

COD ID: 2105037

Formula: - C10 H18 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/c 1
Cell volume: 1175.3
Cell parameters: 11.12; 10.65; 11.277; 90; 118.35; 90;

COD ID: 2105038

Formula: - C10 H18 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/c 1
Cell volume: 1169.5
Cell parameters: 11.1; 10.635; 11.243; 90; 118.22; 90;

COD ID: 2105039

Formula: - C5 H8 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/c 1
Cell volume: 671
Cell parameters: 16.317; 4.461; 9.254; 90; 95.045; 90;

COD ID: 2105040

Formula: - C5 H8 O4 -
Comments: Joseph, Sumy; Sathishkumar, Ranganathan; Mahapatra, Sudarshan; Desiraju, Gautam R. Crystal packing and melting temperatures of small oxalate esters: the role of C—H···O hydrogen bonding Acta Crystallographica Section B 67(6) (2011) 525-534
Space group: P 1 21/c 1
Cell volume: 656.6
Cell parameters: 16.321; 4.425; 9.127; 90; 95.092; 90;

COD ID: 2105041
CIF file Original IUCr paper	Formula: - Ca H1.25 O4.625 S - Comments: Schmidt, Horst; Paschke, Iris; Freyer, Daniela; Voigt, Wolfgang Water channel structure of bassanite at high air humidity: crystal structure of CaSO~4~·0.625H~2~O Acta Crystallographica Section B 67(6) (2011) 467-475 Space group: P 32 2 1 Cell volume: 2118.7 Cell parameters: 13.869; 13.869; 12.7189; 90; 90; 120;

COD ID: 2105042
CIF file Original IUCr paper	Formula: - Ca H O4.5 S - Comments: Schmidt, Horst; Paschke, Iris; Freyer, Daniela; Voigt, Wolfgang Water channel structure of bassanite at high air humidity: crystal structure of CaSO~4~·0.625H~2~O Acta Crystallographica Section B 67(6) (2011) 467-475 Space group: C 1 2 1 Cell volume: 1056.89 Cell parameters: 17.518; 6.9291; 12.0344; 90; 133.655; 90;

COD ID: 2105043

Formula: - C14 H11 N O2 -
Comments: Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions Acta Crystallographica Section B 67(6) (2011) 569-581
Space group: P b c a
Cell volume: 2189.1
Cell parameters: 11.827; 7.875; 23.504; 90; 90; 90;

COD ID: 2105044

Formula: - C13 H10 N2 O2 -
Comments: Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions Acta Crystallographica Section B 67(6) (2011) 569-581
Space group: P 1 21/c 1
Cell volume: 1051
Cell parameters: 13.659; 6.256; 12.862; 90; 107; 90;

COD ID: 2105045

Formula: - C19 H14 N2 O2 -
Comments: Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions Acta Crystallographica Section B 67(6) (2011) 569-581
Space group: P 21 21 21
Cell volume: 1467.9
Cell parameters: 7.875; 9.892; 18.843; 90; 90; 90;

COD ID: 2105046

Formula: - Ca4 Fe2 Mn0.5 O9 Ti0.5 -
Comments: Krüger, H.; Stöber, S.; Welberry, T. R.; Withers, R. L.; Fitz Gerald, J. D. Stacking faults and superstructures in a layered brownmillerite Acta Crystallographica Section B 67(6) (2011) 476-485
Space group: A m m a
Cell volume: 783.65
Cell parameters: 5.351; 26.669; 5.4914; 90; 90; 90;

COD ID: 2105047

Formula: - C12 H15 N5 O8 -
Comments: Şerb, Mihaela-Diana; Wang, Ruimin; Meven, Martin; Englert, Ulli The whole range of hydrogen bonds in one crystal structure: neutron diffraction and charge-density studies of N,N-dimethylbiguanidinium bis(hydrogensquarate) Acta Crystallographica Section B 67(6) (2011) 552-559
Space group: P -1
Cell volume: 743.58
Cell parameters: 7.0689; 8.5538; 13.0736; 90.4259; 105.118; 102.425;

COD ID: 2105048

Formula: - C6 H10 N2 O2 -
Comments: Tilborg, Anaëlle; Jacquemin, Denis; Norberg, Bernadette; Perpète, Eric; Michaux, Catherine; Wouters, Johan Structural study of piracetam polymorphs and cocrystals: crystallography redetermination and quantum mechanics calculations Acta Crystallographica Section B 67(6) (2011) 499-507
Space group: P 1 21/n 1
Cell volume: 684.7
Cell parameters: 6.503; 6.418; 16.416; 90; 92.087; 90;

COD ID: 2105340
CIF file Original IUCr paper	Formula: - Al4 Ca0.03 K0.54 Na3.24 O16 Si4 - Comments: Friese, Karen; Grzechnik, Andrzej; Petříček, Vaclav; Schönleber, Andreas; van Smaalen, Sander; Morgenroth, Wolfgang Modulated structure of nepheline Acta Crystallographica Section B 67(1) (2011) 18-29 Space group: X3(00\g)0 Cell volume: 2164.6 Cell parameters: 17.2889; 17.2889; 8.3622; 90; 90; 120;

COD ID: 2310026

Formula: - Cl4 Rb2 Zn -
Comments: Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb~2~ZnCl~4~ Acta Crystallographica Section B 67(3) (2011) 205-217
Space group: Pmcn(00\g)ss0
Cell volume: 844.04
Cell parameters: 7.241; 12.648; 9.216; 90; 90; 90;

COD ID: 2310027