Information card for entry 7013173

Structure parameters

• Common name: Ni3(dpa)4(NCNCN)2,(CH2Cl2)2.5
• Formula: C46.5 H37 Cl5 N18 Ni3
• Calculated formula: C46.5 H37 Cl5 N18.006 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: 11.3181 ± 0.0008 Å
• b: 11.9122 ± 0.0009 Å
• c: 20.7918 ± 0.0015 Å
• α: 102.83 ± 0.001°
• β: 91.261 ± 0.002°
• γ: 111.566 ± 0.001°
• Cell volume: 2525.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No