Information card for entry 7214733

Structure parameters

• Common name: (Ni2(B1)(L2)2)-13(H2O)
• Chemical name: [Ni2(B1)(L2)2]-13(H2O)
• Formula: C56 H78 N14 Ni2 O21
• Calculated formula: C56 H56 N14 Ni2 O21.165
• Title of publication: Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties
• Authors of publication: Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8642
• a: 13.4995 ± 0.0019 Å
• b: 12.4212 ± 0.0014 Å
• c: 40.153 ± 0.006 Å
• α: 90°
• β: 108.438 ± 0.006°
• γ: 90°
• Cell volume: 6387.2 ± 1.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No