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

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