Crystallography Open Database

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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'

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2104852 CIF
HKL
Paper
C14 H16 N2 O2P 1 21 17.8134; 6.5487; 12.1725
90; 95.0641; 90
620.41Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104853 CIF
HKL
Paper
C14 H16 N2 O2P 1 21 18.0807; 6.6311; 12.0895
90; 96.428; 90
643.73Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104854 CIF
HKL
Paper
C15 H18 N2 O2P 43 21 27.8284; 7.8284; 42.8636
90; 90; 90
2626.85Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104855 CIF
HKL
Paper
C15 H18 N2 O2P 21 21 2110.1348; 10.9014; 12.1599
90; 90; 90
1343.47Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104856 CIF
HKL
Paper
C15 H18 N2 O2P 21 21 2110.149; 10.939; 12.31
90; 90; 90
1366.66Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104857 CIF
Paper
C9 H8 O4P 1 21/c 112.2696; 6.5575; 11.496
90; 68.163; 90
858.58Chan, E. J.; Welberry, T. R.; Heerdegen, A. P.; Goossens, D. J.
Diffuse scattering study of aspirin forms (I) and (II)
Acta Crystallographica Section B, 2010, 66, 696-707
2104858 CIF
Paper
C11 H13 N3 O2 S2P b c a8.5364; 15.0148; 21.3846
90; 90; 90
2740.91Hangan, Adriana; Borodi, Gheorghe; Filip, Xenia; Tripon, Carmen; Morari, Cristian; Oprean, Luminita; Filip, Claudiu
Structure of <i>N</i>-(5-ethyl-[1,3,4]-thiadiazole-2-yl)toluenesulfonamide by combined X-ray powder diffraction, ^13^C solid-state NMR and molecular modelling
Acta Crystallographica Section B, 2010, 66, 615-621
2104859 CIF
HKL
Paper
C15 H21 Cl N2 SP 31 2 19.0538; 9.0538; 32.4921
90; 90; 120
2306.59Plutecka, Agnieszka; Rychlewska, Urszula; Prusinowska, Natalia; Gawroński, Jacek
Solid solution of two diastereomers of [3a(<i>R</i>,<i>S</i>),7a(<i>R</i>,<i>S</i>)]-3-[(1'<i>R</i>)-1-phenylethyl]perhydro-1,3-benzothiazol-2-iminium chloride
Acta Crystallographica Section B, 2010, 66, 678-686
2104860 CIF
HKL
Paper
Al12 Bi2 Ca6 O27X-3(00\g)017.3892; 17.3892; 6.986
90; 90; 120
1829.4Pérez, O.; Malo, S.; Hervieu, M.
The modulated structure of the calcium aluminate Ca~6~(AlO~2~)~12~·Bi~2~O~3~
Acta Crystallographica Section B, 2010, 66, 585-593
2104861 CIF
HKL
Paper
As2 O7 Zn2C2/m(\a0\g)0s6.7248; 8.4605; 4.7791
90; 105.319; 90
262.247Weil, Matthias; Stöger, Berthold
Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure
Acta Crystallographica Section B, 2010, 66, 603-614
2104862 CIF
HKL
Paper
As2 Co2 O7C-1(\a\b\g)06.598; 8.523; 4.751
89.3; 103.359; 88.771
259.84Weil, Matthias; Stöger, Berthold
Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure
Acta Crystallographica Section B, 2010, 66, 603-614
2104863 CIF
HKL
Paper
As2 Ni2 O7C1(\a\b\g)06.499; 8.4276; 4.7223
89.19; 103.28; 89.46
251.68Weil, Matthias; Stöger, Berthold
Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure
Acta Crystallographica Section B, 2010, 66, 603-614
2104864 CIF
HKL
Paper
As2 O7 Zn2C2/m(\a0\g)0s6.8601; 8.4366; 4.809
90; 106.564; 90
266.775Weil, Matthias; Stöger, Berthold
Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure
Acta Crystallographica Section B, 2010, 66, 603-614
2104865 CIF
Paper
C22 H22 N4 O2P -18.11; 10.3363; 13.6177
72.377; 73.542; 70.583
1004.67Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104866 CIF
Paper
C28 H25 N7 O4P 1 21/n 110.4763; 9.2909; 26.8857
90; 99.468; 90
2581.3Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid–base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104867 CIF
Paper
C21 H20 N4 O2P b c a8.9331; 16.5714; 25.7127
90; 90; 90
3806.4Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid–base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104868 CIF
Paper
C19 H28 N4 O2P -19.0015; 9.3009; 11.8819
107.909; 100.454; 91.613
927.11Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid–base complex formation
Acta Crystallographica Section B, 2010, 66, 647-661
2104869 CIF
HKL
Paper
C16 H11 N O3P b c a12.925; 8.273; 23.954
90; 90; 90
2561.4Małecka, Magdalena; Checińska, Lilianna; Rybarczyk-Pirek, Agnieszka; Morgenroth, Wolfgang; Paulmann, Carsten
Electron density studies on hydrogen bonding in two chromone derivatives
Acta Crystallographica Section B, 2010, 66, 687-695
2104870 CIF
HKL
Paper
C17 H13 N O3P 1 21/c 19.292; 14.145; 11.012
90; 110.576; 90
1355Małecka, Magdalena; Checińska, Lilianna; Rybarczyk-Pirek, Agnieszka; Morgenroth, Wolfgang; Paulmann, Carsten
Electron density studies on hydrogen bonding in two chromone derivatives
Acta Crystallographica Section B, 2010, 66, 687-695
2104871 CIF
HKL
Paper
As2 Mn2 O7C 1 2/m 16.7454; 8.7561; 4.8004
90; 102.723; 90
276.57Weil, Matthias; Stöger, Berthold
Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure
Acta Crystallographica Section B, 2010, 66, 603-614
2104872 CIF
HKL
Paper
As2 Co2 O7P -132.992; 5.3332; 8.9775
58.472; 149.011; 126.976
649.64Weil, Matthias; Stöger, Berthold
Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure
Acta Crystallographica Section B, 2010, 66, 603-614
2104873 CIF
HKL
Paper
As2 Ni2 O7P 119.497; 5.297; 8.868
58.32; 148.78; 127.3
377.6Weil, Matthias; Stöger, Berthold
Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure
Acta Crystallographica Section B, 2010, 66, 603-614
2104874 CIF
HKL
Paper
As2 O7 Zn2I 1 2/c 120.5802; 8.436; 9.618
90; 106.564; 90
1600.53Weil, Matthias; Stöger, Berthold
Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~ (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure
Acta Crystallographica Section B, 2010, 66, 603-614
2104875 CIF
HKL
Paper
C15 H19 N2 O2.5P 1 21 18.4202; 24.7788; 13.4204
90; 91.673; 90
2798.87Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104876 CIF
HKL
Paper
C30 H38 N4 O5P 21 21 218.5217; 25.0552; 13.4521
90; 90; 90
2872.2Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104877 CIF
HKL
Paper
C15 H18 N2 O2P 1 21 122.1154; 6.3963; 29.5771
90; 95.266; 90
4166.2Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104878 CIF
HKL
Paper
C16 H20 N2 O2P 17.4277; 7.4388; 13.5369
90.176; 79.737; 70.8
693.52Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2104879 CIF
HKL
Paper
C16 H20 N2 O2P 21 21 2110.053; 10.8372; 13.3352
90; 90; 90
1452.82Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
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
2104980 CIF
HKL
Paper
C2 H8 Ca O6 P2C 1 2/c 120.403; 5.601; 7.274
90; 108.48; 90
788.4Mermer, Adrian; Starynowicz, Przemysław
Charge-density distribution in hydrogen methylphosphonates of calcium and lithium
Acta Crystallographica Section B, 2011, 67, 399-408
2104981 CIF
HKL
Paper
C H4 Li O3 PP 1 21/c 19.267; 4.604; 9.384
90; 96.12; 90
398.1Mermer, Adrian; Starynowicz, Przemysław
Charge-density distribution in hydrogen methylphosphonates of calcium and lithium
Acta Crystallographica Section B, 2011, 67, 399-408
2104982 CIF
Paper
C46 H44 F10 O4 Ta2P -19.239; 11.647; 11.803
117.25; 96.37; 106.63
1037.3Cole, 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^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol
Acta Crystallographica Section B, 2011, 67, 416-424
2104983 CIF
HKL
Paper
C24 H46 N TaP 1 21/c 19.083; 16.216; 16.872
90; 99.76; 90
2449.1Cole, 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^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol
Acta Crystallographica Section B, 2011, 67, 416-424
2104984 CIF
HKL
Paper
C34 H15 F20 O4 TaP b c m8.341; 26.389; 15.145
90; 90; 90
3333.6Cole, 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^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol
Acta Crystallographica Section B, 2011, 67, 416-424
2104985 CIF
HKL
Paper
C51 H38 F20 O6 Ta2P 1 21/n 112.793; 15.242; 25.708
90; 100.178; 90
4933.9Cole, 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^<i>t^</i>Bu)(CH~2~<i>R</i>)~2~ with pentafluorophenol
Acta Crystallographica Section B, 2011, 67, 416-424
2104986 CIF
HKL
Paper
C13 H14 N2 O3P 1 21/c 17.061; 24.489; 13.93
90; 103.481; 90
2342Liu, 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, 2011, 67, 560-568
2104987 CIF
HKL
Paper
C15 H15 F3 N2 O2P 1 21/c 18.9941; 11.2954; 14.3536
90; 102.537; 90
1423.44Liu, 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, 2011, 67, 560-568
2104988 CIF
HKL
Paper
C17 H19 F3 N2 OP 1 21/c 112.1853; 12.2242; 10.6361
90; 93.4529; 90
1581.43Liu, 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, 2011, 67, 560-568
2104989 CIF
HKL
Paper
Al F6 H12 N3F m -3 m8.9378; 8.9378; 8.9378
90; 90; 90
713.99Udovenko, 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, 2011, 67, 447-454
2104990 CIF
HKL
Paper
F5 H12 N3 O TiF m -3 m9.1144; 9.1144; 9.1144
90; 90; 90
757.15Udovenko, 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, 2011, 67, 447-454
2104991 CIF
HKL
Paper
F5 K O Rb2 TiF m -3 m8.9002; 8.9002; 8.9002
90; 90; 90
705.017Udovenko, 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, 2011, 67, 447-454
2104992 CIF
Paper
F5 K O Rb2 TiF m -3 m8.8879; 8.8879; 8.8879
90; 90; 90
702.1Udovenko, 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, 2011, 67, 447-454
2104993 CIF
HKL
Paper
C5.38 H5.38 O24 Si12P n m a19.92; 19.88; 13.386
90; 90; 90
5301Kamiya, 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, 2011, 67, 508-515
2104994 CIF
HKL
Paper
C10 H36 N2 Ni O19I 1 2/m 112.37; 12.57; 8.114
90; 101.48; 90
1236.4Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2104995 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.303; 12.543; 8.049
90; 100.65; 90
1220.7Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2104996 CIF
HKL
Paper
C10 H36 N2 Ni O19B 1 21 131.013; 12.56; 56.246
90; 129.19; 90
16981Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2104997 CIF
HKL
Paper
C10 H36 N2 Ni O19B 1 21 130.632; 12.594; 55.955
90; 129.46; 90
16666Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2104998 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 111.943; 12.693; 15.982
90; 101.56; 90
2373.6Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2104999 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 111.955; 12.692; 15.988
90; 101.55; 90
2376.8Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105000 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 111.967; 12.69; 15.993
90; 101.55; 90
2379.5Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105001 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 111.981; 12.688; 15.999
90; 101.54; 90
2382.9Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105002 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 111.995; 12.685; 16.005
90; 101.52; 90
2386.2Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105003 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.008; 12.681; 16.01
90; 101.5; 90
2389Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105004 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.024; 12.678; 16.016
90; 101.47; 90
2392.7Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105005 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.041; 12.673; 16.022
90; 101.44; 90
2396.3Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105006 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.059; 12.668; 16.028
90; 101.4; 90
2400.2Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105007 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.079; 12.661; 16.034
90; 101.36; 90
2404.1Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105008 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.1; 12.652; 16.04
90; 101.3; 90
2407.9Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105009 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.112; 12.647; 16.043
90; 101.27; 90
2410.1Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105010 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.124; 12.641; 16.047
90; 101.23; 90
2412.3Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105011 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 112.137; 12.635; 16.05
90; 101.19; 90
2414.5Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105012 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.297; 12.539; 8.047
90; 100.66; 90
1219.4Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105013 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.319; 12.54; 8.062
90; 100.8; 90
1223.4Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105014 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.295; 12.542; 8.046
90; 100.63; 90
1219.4Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105015 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.319; 12.545; 8.057
90; 100.76; 90
1223.3Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105016 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.336; 12.548; 8.068
90; 100.9; 90
1226.3Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105017 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.349; 12.549; 8.082
90; 101.05; 90
1229.2Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105018 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.35; 12.554; 8.093
90; 101.2; 90
1230.9Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105019 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/m 112.362; 12.557; 8.102
90; 101.36; 90
1233Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105020 CIF
HKL
Paper
C10 H36 N2 Ni O19I 1 2/m 112.37; 12.57; 8.114
90; 101.48; 90
1236.4Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105021 CIF
HKL
Paper
C10 H36 N2 Ni O19I 1 2/m 112.379; 12.558; 8.12
90; 101.68; 90
1236.2Siegler, 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 <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105022 CIF
HKL
Paper
C6 H10 O4P 1 21/c 111.581; 4.2812; 15.282
90; 104.938; 90
732.1Joseph, 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, 2011, 67, 525-534
2105023 CIF
HKL
Paper
C6 H10 O4P 1 21/c 111.734; 4.3096; 15.276
90; 105.525; 90
744.3Joseph, 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, 2011, 67, 525-534
2105024 CIF
HKL
Paper
C4 H6 O4P 1 21/n 13.9101; 11.907; 6.221
90; 103.1; 90
282.1Joseph, 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, 2011, 67, 525-534
2105025 CIF
Paper
C4 H6 O4P 1 21/n 13.873; 11.875; 6.205
90; 103.37; 90
277.6Joseph, 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, 2011, 67, 525-534
2105026 CIF
HKL
Paper
C4 H6 O4P 1 21/n 13.851; 11.84; 6.227
90; 104.31; 90
275.1Joseph, 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, 2011, 67, 525-534
2105027 CIF
HKL
Paper
C4 H6 O4P 1 21/n 13.8083; 11.742; 6.1664
90; 104.06; 90
267.48Joseph, 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, 2011, 67, 525-534
2105028 CIF
HKL
Paper
C4 H6 O4P 1 21/n 13.7844; 11.751; 6.1753
90; 104.59; 90
265.76Joseph, 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, 2011, 67, 525-534
2105029 CIF
HKL
Paper
C8 H14 O4P 1 21/c 14.3575; 9.949; 11.384
90; 92.483; 90
493.1Joseph, 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, 2011, 67, 525-534
2105030 CIF
HKL
Paper
C8 H14 O4P 1 21/c 14.2679; 9.947; 11.272
90; 92.444; 90
478.1Joseph, 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, 2011, 67, 525-534
2105031 CIF
HKL
Paper
C10 H18 O4P -14.593; 4.702; 14.03
95.896; 97.964; 96.656
295.9Joseph, 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, 2011, 67, 525-534
2105032 CIF
HKL
Paper
C10 H18 O4P -14.36; 4.611; 13.954
81.486; 81.175; 81.044
271.6Joseph, 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, 2011, 67, 525-534
2105033 CIF
HKL
Paper
C10 H18 O4P 1 21/c 111.197; 10.778; 11.454
90; 119.23; 90
1206.3Joseph, 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, 2011, 67, 525-534
2105034 CIF
HKL
Paper
C10 H18 O4P 1 21/c 111.183; 10.752; 11.405
90; 118.95; 90
1200Joseph, 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, 2011, 67, 525-534
2105035 CIF
Paper
C10 H18 O4P 1 21/c 111.163; 10.72; 11.359
90; 118.75; 90
1191.7Joseph, 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, 2011, 67, 525-534
2105036 CIF
Paper
C10 H18 O4P 1 21/c 111.138; 10.686; 11.324
90; 118.61; 90
1183.2Joseph, 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, 2011, 67, 525-534
2105037 CIF
HKL
Paper
C10 H18 O4P 1 21/c 111.12; 10.65; 11.277
90; 118.35; 90
1175.3Joseph, 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, 2011, 67, 525-534
2105038 CIF
HKL
Paper
C10 H18 O4P 1 21/c 111.1; 10.635; 11.243
90; 118.22; 90
1169.5Joseph, 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, 2011, 67, 525-534
2105039 CIF
HKL
Paper
C5 H8 O4P 1 21/c 116.317; 4.461; 9.254
90; 95.045; 90
671Joseph, 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, 2011, 67, 525-534
2105040 CIF
HKL
Paper
C5 H8 O4P 1 21/c 116.321; 4.425; 9.127
90; 95.092; 90
656.6Joseph, 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, 2011, 67, 525-534
2105041 CIF
Paper
Ca H1.25 O4.625 SP 32 2 113.869; 13.869; 12.7189
90; 90; 120
2118.7Schmidt, 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, 2011, 67, 467-475
2105042 CIF
Paper
Ca H O4.5 SC 1 2 117.518; 6.9291; 12.0344
90; 133.655; 90
1056.89Schmidt, 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, 2011, 67, 467-475
2105043 CIF
Paper
C14 H11 N O2P b c a11.827; 7.875; 23.504
90; 90; 90
2189.1Checińska, 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, 2011, 67, 569-581
2105044 CIF
HKL
Paper
C13 H10 N2 O2P 1 21/c 113.659; 6.256; 12.862
90; 107; 90
1051Checińska, 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, 2011, 67, 569-581
2105045 CIF
HKL
Paper
C19 H14 N2 O2P 21 21 217.875; 9.892; 18.843
90; 90; 90
1467.9Checińska, 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, 2011, 67, 569-581
2105046 CIF
HKL
Paper
Ca4 Fe2 Mn0.5 O9 Ti0.5A m m a5.351; 26.669; 5.4914
90; 90; 90
783.65Krüger, 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, 2011, 67, 476-485
2105047 CIF
HKL
Paper
C12 H15 N5 O8P -17.0689; 8.5538; 13.0736
90.4259; 105.118; 102.425
743.58Şerb, 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 <i>N</i>,<i>N</i>-dimethylbiguanidinium bis(hydrogensquarate)
Acta Crystallographica Section B, 2011, 67, 552-559
2105048 CIF
HKL
Paper
C6 H10 N2 O2P 1 21/n 16.503; 6.418; 16.416
90; 92.087; 90
684.7Tilborg, 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, 2011, 67, 499-507
2105049 CIF
HKL
Paper
Li0.63 Zn0.87R -3 m :H4.386; 4.386; 18.738
90; 90; 120
312.2Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut
Polymorphism of Li~2~Zn~3~
Acta Crystallographica Section B, 2012, 68, 34-39
2105050 CIF
Paper
Li0.62 Zn0.87P -3 m 14.3528; 4.3528; 8.003
90; 90; 120
131.32Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut
Polymorphism of Li~2~Zn~3~
Acta Crystallographica Section B, 2012, 68, 34-39
2105051 CIF
HKL
Paper
Cl4 Cu O12 Pb5 Se4C 1 2/c 124.917; 5.506; 14.242
90; 101.77; 90
1912.8Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria
Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography
Acta Crystallographica Section B, 2012, 68, 15-23

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