Information card for entry 7200765

Structure parameters

• Common name: [Ni(terpyPh)2](PF6)2.4MeCN
• Formula: C50 H42 F12 N10 Ni P2
• Calculated formula: C50 H42 F12 N10 Ni P2
• Title of publication: Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays
• Authors of publication: McMurtrie, John; Dance, Ian
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1141
• a: 12.278 ± 0.001 Å
• b: 12.33 ± 0.001 Å
• c: 31.945 ± 0.004 Å
• α: 90°
• β: 94.37 ± 0.002°
• γ: 90°
• Cell volume: 4822 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No