Information card for entry 7205180

Structure parameters

• Formula: C57 H46 Cl2 N12 Ni3 O9
• Calculated formula: C57 H42 Cl2 N12 Ni3 O9
• Title of publication: Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands
• Authors of publication: Zhang, Jing; Zhu, Long-Guan
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 553
• a: 11.9829 ± 0.0013 Å
• b: 13.6251 ± 0.0015 Å
• c: 18.421 ± 0.002 Å
• α: 101.895 ± 0.004°
• β: 102.698 ± 0.004°
• γ: 101.016 ± 0.004°
• Cell volume: 2781.6 ± 0.5 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: 0.0841
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No