Information card for entry 7013172

Structure parameters

• Common name: Ni3(dpa)4(CN)2,CH2Cl2
• Formula: C43 H34 Cl2 N14 Ni3
• Calculated formula: C43 H34 Cl2 N14 Ni3
• 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: 13.0161 ± 0.0012 Å
• b: 14.0693 ± 0.0013 Å
• c: 11.4942 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2104.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No