Information card for entry 7232698

Structure parameters

• Formula: C20 H18 N12 Ni O2
• Calculated formula: C20 H18 N12 Ni O2
• Title of publication: Three new metal coordination polymers of bifunctional imidazolate/tetrazolate bridges: the only example of a three-dimensional framework based on rare [Co4(μ3-OH)2(μ2-Cl)2]4+ mixed oxo-chloro-clusters
• Authors of publication: Yang, Lili; Zhou, Jian; Zou, Hua-Hong; Tang, Qiuling
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 13082
• a: 7.476 ± 0.0008 Å
• b: 7.9402 ± 0.0007 Å
• c: 9.3241 ± 0.001 Å
• α: 102.237 ± 0.003°
• β: 98.119 ± 0.004°
• γ: 106.7 ± 0.003°
• Cell volume: 505.87 ± 0.09 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No