Information card for entry 8103317

Structure parameters

• Formula: C35 H36 N7 Ni O7
• Calculated formula: C35 H24 N7 Ni O7
• Title of publication: Crystal structure of bis{aquabis[2-(1H-benzimidazol-2-yl)benzoato-k2N,O]hemi(m-1,10-bis(1,2,4-triazol-1-yl)decane- N:N')nickel(II)} — water (1:4), Ni2(C14H24N6) (C14H9N2O2)4(H2O)2 · 4H2O
• Authors of publication: Chun Chen; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 274
• a: 28.1346 ± 0.0014 Å
• b: 10.6395 ± 0.0003 Å
• c: 26.3965 ± 0.0014 Å
• α: 90°
• β: 120.72 ± 0.007°
• γ: 90°
• Cell volume: 6792.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No