Crystallography Open Database

Result: there are 173 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 67

Left arrow Left arrow First | Left arrow Previous 100 | of 2 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
2104880 CIF
HKL
Paper
C6 H24 N6 O4 S ZnP -3 1 c8.9594; 8.9594; 9.5583
90; 90; 120
664.46Smeets, 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, 2011, 67, 53-62
2104881 CIF
HKL
Paper
C6 H24 N6 O4 S ZnP -3 1 c8.9649; 8.9649; 9.5685
90; 90; 120
665.986Smeets, 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, 2011, 67, 53-62
2104882 CIF
HKL
Paper
C6 H24 N6 O4 S ZnP -3 1 c8.9696; 8.9696; 9.5842
90; 90; 120
667.78Smeets, 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, 2011, 67, 53-62
2104883 CIF
HKL
Paper
C6 H24 N6 O4 S ZnP -3 1 c8.979; 8.979; 9.5973
90; 90; 120
670.094Smeets, 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, 2011, 67, 53-62
2104884 CIF
HKL
Paper
C6 H24 N6 O4 S ZnP -3 1 c8.9855; 8.9855; 9.6043
90; 90; 120
671.55Smeets, 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, 2011, 67, 53-62
2104885 CIF
HKL
Paper
C6 H24 N6 O4 S ZnP -3 1 c8.9929; 8.9929; 9.6101
90; 90; 120
673.07Smeets, 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, 2011, 67, 53-62
2104886 CIF
HKL
Paper
C6 H24 Cu N6 O4 SP -3 1 c8.9387; 8.9387; 9.5766
90; 90; 120
662.66Smeets, 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, 2011, 67, 53-62
2104887 CIF
HKL
Paper
C6 H24 Cu N6 O4 SP -3 1 c8.9445; 8.9445; 9.5826
90; 90; 120
663.936Smeets, 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, 2011, 67, 53-62
2104888 CIF
HKL
Paper
C6 H24 Cu N6 O4 SP -3 1 c8.9513; 8.9513; 9.5876
90; 90; 120
665.293Smeets, 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, 2011, 67, 53-62
2104889 CIF
HKL
Paper
C6 H24 Cu N6 O4 SP -3 1 c8.9572; 8.9572; 9.5926
90; 90; 120
666.517Smeets, 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, 2011, 67, 53-62
2104890 CIF
HKL
Paper
C6 H24 Cu N6 O4 SP -3 1 c8.9664; 8.9664; 9.5996
90; 90; 120
668.375Smeets, 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, 2011, 67, 53-62
2104891 CIF
Paper
C12 H16 Mn N8 O6 V2I 41/a :223.0354; 23.0354; 29.6005
90; 90; 90
15706.9Chainok, 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: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104892 CIF
Paper
C12 H16 Mn N8 O6 V2I 41/a :223.0473; 23.0473; 29.6521
90; 90; 90
15750.5Chainok, 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: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104893 CIF
Paper
C12 H16 Mn N8 O6 V2I 41/a :223.0645; 23.0645; 29.6897
90; 90; 90
15794.1Chainok, 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: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104894 CIF
Paper
C12 H16 Mn N8 O6 V2P 42/n :216.3271; 16.3271; 14.8304
90; 90; 90
3953.4Chainok, 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: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104895 CIF
HKL
Paper
C12 H16 Mn N8 O6 V2P 42/n :216.3615; 16.3615; 14.803
90; 90; 90
3962.74Chainok, 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: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104896 CIF
Paper
C12 H16 Co N8 O6 V2I 41/a :222.8606; 22.8606; 29.2658
90; 90; 90
15294.5Chainok, 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: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104897 CIF
Paper
C12 H16 Co N8 O6 V2I 41/a :222.8863; 22.8863; 29.27
90; 90; 90
15331.1Chainok, 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: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104898 CIF
Paper
C12 H16 Co N8 O6 V2P 42/n :216.2544; 16.2544; 14.5532
90; 90; 90
3845.04Chainok, 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: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104899 CIF
Paper
C12 H16 Co N8 O6 V2P 42/n :216.2666; 16.2666; 14.6057
90; 90; 90
3864.7Chainok, 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: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104900 CIF
Paper
C12 H16 N8 Ni O6 V2P 1 2/n 116.1379; 14.3657; 16.3422
90; 90.1205; 90
3788.64Chainok, 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: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104901 CIF
Paper
C12 H16 N8 Ni O6 V2P 42/n :216.1988; 16.1988; 14.5589
90; 90; 90
3820.27Chainok, 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: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole
Acta Crystallographica Section B, 2011, 67, 41-52
2104902 CIF
HKL
Paper
C15 H12 O8P 1 21/c 18.737; 4.852; 30.16
90; 95.52; 90
1272.6Domagała, 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, 2011, 67, 63-78
2104903 CIF
HKL
Paper
C15 H12 O8P 1 21/c 18.737; 4.852; 30.16
90; 95.52; 90
1272.6Domagała, 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, 2011, 67, 63-78
2104904 CIF
HKL
Paper
C15 H12 O8P 1 21/c 18.737; 4.852; 30.16
90; 95.52; 90
1272.6Domagała, 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, 2011, 67, 63-78
2104905 CIF
Paper
Al O4 PP -16.1328; 7.5151; 8.5801
98.263; 104.622; 102.14
365.895Kanzaki, 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, 2011, 67, 30-40
2104906 CIF
HKL
Paper
Al O4 PP 1 21/c 16.13219; 14.3465; 8.5762
90; 104.743; 90
729.656Kanzaki, 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, 2011, 67, 30-40
2104907 CIF
Paper
H13 N3 O8 S2R -3 m :H5.907; 5.907; 22.57
90; 90; 120
682Sohn, 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, 2011, 67, 116-121
2104908 CIF
HKL
Paper
C10 H13 Cl N2 O3 SP 1 2/c 114.5882; 9.2584; 19.1532
90; 93.26; 90
2582.71Drebushchak, 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, 2011, 67, 163-176
2104909 CIF
Paper
C10 H13 Cl N2 O3 SP 1 2/n 128.4475; 9.2322; 19.2298
90; 95.562; 90
5026.6Drebushchak, 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, 2011, 67, 163-176
2104910 CIF
HKL
Paper
C5 H8 N4 O4P 1 21/c 17.8123; 6.9384; 14.1179
90; 96.727; 90
759.99Gryl, Marlena; Krawczuk-Pantula, Anna; Stadnicka, Katarzyna
Charge-density analysis in polymorphs of urea‒barbituric acid co-crystals
Acta Crystallographica Section B, 2011, 67, 144-154
2104911 CIF
HKL
Paper
C5 H8 N4 O4C 1 c 116.0474; 5.028; 10.3879
90; 110.093; 90
787.15Gryl, Marlena; Krawczuk-Pantula, Anna; Stadnicka, Katarzyna
Charge-density analysis in polymorphs of urea‒barbituric acid co-crystals
Acta Crystallographica Section B, 2011, 67, 144-154
2104912 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.182; 16.518; 17.876
90; 106.42; 90
4583.3Siegler, 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, 2011, 67, 130-143
2104913 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.188; 16.526; 17.876
90; 106.41; 90
4587.4Siegler, 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, 2011, 67, 130-143
2104914 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.194; 16.533; 17.878
90; 106.4; 90
4591.8Siegler, 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, 2011, 67, 130-143
2104915 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.2; 16.54; 17.88
90; 106.39; 90
4596.2Siegler, 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, 2011, 67, 130-143
2104916 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.208; 16.55; 17.882
90; 106.38; 90
4602Siegler, 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, 2011, 67, 130-143
2104917 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.214; 16.56; 17.882
90; 106.36; 90
4607Siegler, 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, 2011, 67, 130-143
2104918 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.222; 16.571; 17.882
90; 106.34; 90
4612.8Siegler, 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, 2011, 67, 130-143
2104919 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.23; 16.584; 17.88
90; 106.32; 90
4618.6Siegler, 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, 2011, 67, 130-143
2104920 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.238; 16.598; 17.878
90; 106.28; 90
4625.2Siegler, 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, 2011, 67, 130-143
2104921 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.242; 16.608; 17.874
90; 106.26; 90
4628.6Siegler, 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, 2011, 67, 130-143
2104922 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.246; 16.618; 17.87
90; 106.24; 90
4632Siegler, 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, 2011, 67, 130-143
2104923 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.25; 16.631; 17.866
90; 106.2; 90
4636.6Siegler, 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, 2011, 67, 130-143
2104924 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.254; 16.644; 17.86
90; 106.17; 90
4640.6Siegler, 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, 2011, 67, 130-143
2104925 CIF
Paper
C10 H34 N2 Ni O18P 1 21 18.129; 16.658; 8.926
90; 106.13; 90
1161.1Siegler, 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, 2011, 67, 130-143
2104926 CIF
Paper
C10 H34 N2 Ni O18P 1 21 18.13; 16.666; 8.925
90; 106.11; 90
1161.8Siegler, 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, 2011, 67, 130-143
2104927 CIF
Paper
C10 H34 N2 Ni O18P 1 21 18.134; 16.675; 8.926
90; 106.09; 90
1163.2Siegler, 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, 2011, 67, 130-143
2104928 CIF
Paper
C10 H34 N2 Ni O18P 1 21 18.137; 16.679; 8.927
90; 106.08; 90
1164.1Siegler, 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, 2011, 67, 130-143
2104929 CIF
Paper
C10 H34 N2 Ni O18P 1 21 18.141; 16.687; 8.93
90; 106.07; 90
1165.7Siegler, 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, 2011, 67, 130-143
2104930 CIF
Paper
C10 H34 N2 Ni O18P 1 21 18.145; 16.688; 8.932
90; 106.06; 90
1166.7Siegler, 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, 2011, 67, 130-143
2104931 CIF
Paper
C10 H34 N2 Ni O18P 1 21 18.15; 16.693; 8.935
90; 106.05; 90
1168.2Siegler, 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, 2011, 67, 130-143
2104932 CIF
Paper
C10 H34 N2 Ni O18P 1 21 18.158; 16.699; 8.941
90; 106.03; 90
1170.7Siegler, 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, 2011, 67, 130-143
2104933 CIF
Paper
C10 H34 N2 Ni O18P 1 21 18.167; 16.703; 8.948
90; 106.02; 90
1173.2Siegler, 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, 2011, 67, 130-143
2104934 CIF
Paper
C10 H34 N2 Ni O18P 1 21 18.18; 16.701; 8.96
90; 105.96; 90
1176.9Siegler, 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, 2011, 67, 130-143
2104935 CIF
Paper
C10 H34 N2 Ni O18P 1 21 18.1578; 16.6971; 8.9482
90; 106.05; 90
1171.34Siegler, 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, 2011, 67, 130-143
2104936 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.2526; 16.6254; 17.8851
90; 106.233; 90
4640Siegler, 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, 2011, 67, 130-143
2104937 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.2401; 16.6007; 17.8912
90; 106.295; 90
4629.66Siegler, 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, 2011, 67, 130-143
2104938 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.2238; 16.5763; 17.8917
90; 106.344; 90
4617.18Siegler, 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, 2011, 67, 130-143
2104939 CIF
Paper
C10 H34 N2 Ni O18B 1 21 116.1879; 16.5322; 17.8839
90; 106.413; 90
4591.08Siegler, 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, 2011, 67, 130-143
2104940 CIF
HKL
Paper
C12 H40 Cd3 Cl10 N4C m c a7.4634; 22.0476; 19.6139
90; 90; 90
3227.5Gagor, 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, 2011, 67, 122-129
2104941 CIF
HKL
Paper
C12 H40 Cd3 Cl10 N4P b c a7.4298; 22.0791; 19.4442
90; 90; 90
3189.7Gagor, 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, 2011, 67, 122-129
2104942 CIF
HKL
Paper
C12 H40 Cd3 Cl10 N4P 21 21 217.3918; 22.0135; 19.3938
90; 90; 90
3155.75Gagor, 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, 2011, 67, 122-129
2104943 CIF
HKL
Paper
C6 H14 OC 1 2/m 114.717; 7.76462; 6.22813
90; 101.015; 90
698.59Hammer, Sonja M.; Alig, Edith; Fink, Lothar; Schmidt, Martin U.
Predicted and experimental crystal structures of ethyl-<i>tert</i>-butyl ether
Acta Crystallographica Section B, 2011, 67, 155-162
2104944 CIF
HKL
Paper
C20 H36 N4 O4P 1 21/n 16.0341; 30.9087; 11.7024
90; 103.366; 90
2123.45Lemmerer, Andreas
Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature
Acta Crystallographica Section B, 2011, 67, 177-192
2104945 CIF
HKL
Paper
C20 H22 F2 N4 O4P 1 21/n 16.1529; 26.9424; 11.8758
90; 100.553; 90
1935.4Lemmerer, Andreas
Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature
Acta Crystallographica Section B, 2011, 67, 177-192
2104946 CIF
HKL
Paper
C22 H28 N4 O4P 1 21/n 16.1754; 28.234; 12.154
90; 99.869; 90
2087.8Lemmerer, Andreas
Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature
Acta Crystallographica Section B, 2011, 67, 177-192
2104947 CIF
HKL
Paper
C24 H28 N4 O4C m c 2130.803; 9.6904; 7.3655
90; 90; 90
2198.55Lemmerer, Andreas
Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature
Acta Crystallographica Section B, 2011, 67, 177-192
2104948 CIF
HKL
Paper
C20 H26 N6 O10C 1 2/c 112.0807; 7.473; 25.0633
90; 98.909; 90
2235.39Lemmerer, Andreas
Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature
Acta Crystallographica Section B, 2011, 67, 177-192
2104949 CIF
HKL
Paper
C14 H24 N4 O4P 1 21/m 15.9169; 21.6383; 6.1135
90; 108.028; 90
744.29Lemmerer, Andreas
Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature
Acta Crystallographica Section B, 2011, 67, 177-192
2104950 CIF
HKL
Paper
C14 H24 N4 O4F d d 223.7999; 44.9245; 5.7804
90; 90; 90
6180.4Lemmerer, Andreas
Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature
Acta Crystallographica Section B, 2011, 67, 177-192
2104951 CIF
Paper
Rb2 SP 63/m m c5.30756; 5.30756; 6.80615
90; 90; 120
166.044Santamaria-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, 2011, 67, 109-115
2104952 CIF
Paper
Rb2 SP n m a8.167; 5.101; 9.957
90; 90; 90
414.8Santamaria-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, 2011, 67, 109-115
2104953 CIF
HKL
Paper
C28 H16 O2P 1 21/n 110.186; 8.4277; 11.6457
90; 109.591; 90
941.85Johnstone, 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, 2011, 67, 226-237
2104954 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.9825; 7.8892; 11.4879
90; 109.78; 90
851.3Johnstone, 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, 2011, 67, 226-237
2104955 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.9021; 7.6543; 11.4225
90; 109.86; 90
814.3Johnstone, 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, 2011, 67, 226-237
2104956 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.8354; 7.4567; 11.3543
90; 109.939; 90
782.8Johnstone, 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, 2011, 67, 226-237
2104957 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.7854; 7.2988; 11.3074
90; 110.028; 90
758.75Johnstone, 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, 2011, 67, 226-237
2104958 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.7527; 7.2058; 11.2786
90; 110.132; 90
744.19Johnstone, 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, 2011, 67, 226-237
2104959 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.7286; 7.1123; 11.2468
90; 110.186; 90
730.4Johnstone, 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, 2011, 67, 226-237
2104960 CIF
HKL
Paper
C28 H16 O2P 1 21/n 19.7119; 7.041; 11.2282
90; 110.229; 90
720.4Johnstone, 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, 2011, 67, 226-237
2104961 CIF
HKL
Paper
C18 H8 Br4 O2 S8P 1 21/n 110.3653; 11.7998; 11.0749
90; 110.217; 90
1271.1García-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, 2011, 67, 244-249
2104962 CIF
HKL
Paper
C18 H8 Br4 O2 S8P 1 21/n 110.2781; 11.5982; 11.0418
90; 110.434; 90
1233.44García-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, 2011, 67, 244-249
2104963 CIF
HKL
Paper
C18 H8 Br4 O2 S8P 1 21/n 110.2507; 11.5276; 10.9799
90; 110.446; 90
1215.71García-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, 2011, 67, 244-249
2104964 CIF
Paper
Na O3 Ti1.25C 1 2/m 121.555; 3.7583; 11.926
90; 136.14; 90
669.4Andrusenko, 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, 2011, 67, 218-225
2104965 CIF
HKL
Paper
Al14 Ca12 O33I -4 3 d11.989; 11.989; 11.989
90; 90; 90
1723.3Sakakura, 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, 2011, 67, 193-204
2104966 CIF
HKL
Paper
C8 H8 N2 O2P -15.7913; 8.2458; 8.9223
116.823; 104.589; 91.602
362.99Zarychta, Bartosz; Zaleski, Jacek; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Jelsch, Christian
Charge-density analysis of 1-nitroindoline: refinement quality using free <i>R</i> factors and restraints
Acta Crystallographica Section B, 2011, 67, 250-262
2104967 CIF
HKL
Paper
C15 H24 N3 O3 PP 1 21/n 19.517; 10.723; 32.993
90; 96.029; 90
3348.3Gholivand, Khodayar; Mahzouni, Hamid Reza
Solid-state and gas-phase structures of two conformers of <i>N</i>-(4-methylphenyl)-<i>N</i>',<i>N</i>''-bis(morpholinyl) phosphoric triamide; insights from X-ray crystallography and DFT calculations
Acta Crystallographica Section B, 2011, 67, 238-243
2104968 CIF
Paper
C84 H106 B2 Co2 N4 O10C 1 2/c 122.8118; 19.2667; 17.3077
90; 96.176; 90
7562.7Deutsch, Maxime; Claiser, Nicolas; Gillet, Jean-Michel; Lecomte, Claude; Sakiyama, Hiroshi; Tone, Katsuya; Souhassou, Mohamed
<i>d</i>-Orbital orientation in a dimer cobalt complex: link to magnetic properties?
Acta Crystallographica Section B, 2011, 67, 324-332
2104969 CIF
HKL
Paper
C20 H30 N2 O4 Sn2P b c a13.0745; 12.9669; 13.6824
90; 90; 90
2319.66Korlyukov, Alexander A.; Khrustalev, Victor N.; Vologzhanina, Anna V.; Lyssenko, Konstantin A.; Nechaev, Mikhail. S.; Antipin, Mikhail Yu.
Bis(μ^2^-2-(dimethylamino)ethoxo-<i>N</i>,<i>O</i>,<i>O</i>)-di(phenolato-<i>O</i>)ditin(II): a high-resolution single-crystal X-ray diffraction and quantum chemical study
Acta Crystallographica Section B, 2011, 67, 315-323
2104970 CIF
HKL
Paper
C10 H10 N4 O2P 1 21/c 111.0299; 10.0921; 18.6365
90; 97.238; 90
2057.99Paul, Agnieszka; Kubicki, Maciej; Jelsch, Christian; Durand, Pierrick; Lecomte, Claude
<i>R</i>-free factor and experimental charge-density analysis of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole: a crystal structure with <i>Z</i>' = 2
Acta Crystallographica Section B, 2011, 67, 365-378
2104971 CIF
HKL
Paper
C3 H5 Cl O SP 1 21/c 19.4763; 5.8288; 11.0764
90; 112.853; 90
563.79Rodríguez 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, 2011, 67, 350-356
2104972 CIF
HKL
Paper
Ca H1.25 O4.625 SeP 32 2 114.1681; 14.1681; 13.4241
90; 90; 120
2333.67Fritz, 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, 2011, 67, 293-301
2104973 CIF
Paper
Ca H1.25 O4.625 SeP 32 2 114.1035; 14.1035; 13.3622
90; 90; 120
2301.8Fritz, 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, 2011, 67, 293-301
2104974 CIF
HKL
Paper
C7 H4 Cl2 OP 1 21/c 13.7888; 13.7784; 13.0368
90; 90.979; 90
680.47Solanko, Katarzyna A.; Bond, Andrew D.
Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers
Acta Crystallographica Section B, 2011, 67, 437-445
2104975 CIF
HKL
Paper
C7 H4 Cl2 OP -13.815; 7.829; 17.895
89.091; 85.728; 81.115
526.6Solanko, Katarzyna A.; Bond, Andrew D.
Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers
Acta Crystallographica Section B, 2011, 67, 437-445
2104976 CIF
HKL
Paper
C7 H4 Cl2 OP 1 21 13.8094; 14.8887; 6.2014
90; 91.849; 90
351.54Solanko, Katarzyna A.; Bond, Andrew D.
Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers
Acta Crystallographica Section B, 2011, 67, 437-445
2104977 CIF
HKL
Paper
C7 H4 Cl2 OP 1 21/n 13.7785; 31.353; 12.058
90; 91.546; 90
1428Solanko, Katarzyna A.; Bond, Andrew D.
Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers
Acta Crystallographica Section B, 2011, 67, 437-445
2104978 CIF
Paper
C6 H4 S2 Tl2P -16.5525; 6.8444; 9.5265
71.798; 85.988; 89.219
404.86Stone, 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, 2011, 67, 409-415
2104979 CIF
Paper
C6 H4 Se2 Tl2P -16.67438; 6.84998; 9.82649
72.513; 84.79; 88.659
426.725Stone, 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, 2011, 67, 409-415

Left arrow Left arrow First | Left arrow Previous 100 | of 2 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!