Information card for entry 7013174

Structure parameters

• Common name: Ni3(dpa)4(CCPh)2,0.3methanol
• Formula: C56.3 H43.2 N12 Ni3 O0.3
• Calculated formula: C56.3 H43.2 N12 Ni3 O0.3
• Title of publication: Making connections with molecular wires: extending tri-nickel chains with axial cyanide, dicyanamide, and phenylacetylide ligands
• Authors of publication: Berry, John F.; Albert Cotton, F.; Murillo, Carlos A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3015 - 3021
• a: 37.149 ± 0.003 Å
• b: 15.8661 ± 0.0012 Å
• c: 17.1491 ± 0.0014 Å
• α: 90°
• β: 92.435 ± 0.002°
• γ: 90°
• Cell volume: 10098.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No