Information card for entry 4507866

Structure parameters

• Formula: C27 H22 Cl2 N4 Ni O5
• Calculated formula: C27 H22 Cl2 N4 Ni O5
• Title of publication: A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology
• Authors of publication: Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2642
• a: 9.479 ± 0.004 Å
• b: 11.835 ± 0.005 Å
• c: 12.798 ± 0.005 Å
• α: 67.543 ± 0.011°
• β: 76.936 ± 0.015°
• γ: 74.777 ± 0.015°
• Cell volume: 1267.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No