Information card for entry 7035334

Structure parameters

• Formula: C87 H103.5 Cl4 N16.5 Ni2 O16
• Calculated formula: C87 H103.5 Cl4 N16.5 Ni2 O16
• Title of publication: Metallosupramolecular Ni2L3 and Ni4L6 complexes of bis-bidentate pyridine-containing ligands: X-ray structures and catalytic proton reduction.
• Authors of publication: Tsang, Chui-Shan; Chen, Lingjing; Li, Lu-Wei; Yiu, Shek-Man; Lau, Tai-Chu; Kwong, Hoi-Lun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13087 - 13092
• a: 12.5581 ± 0.0005 Å
• b: 12.6724 ± 0.0004 Å
• c: 29.7591 ± 0.0009 Å
• α: 89.099 ± 0.002°
• β: 81.233 ± 0.003°
• γ: 76.182 ± 0.003°
• Cell volume: 4544.1 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No