Information card for entry 7019009

Structure parameters

• Formula: C100.5 H78 Cu2 N10 P6
• Calculated formula: C100.5 H78 Cu2 N10 P6
• Title of publication: Group 11 complexes containing the [C5(CN)5]− ligand; ‘coordination-analogues’ of molecular organometallic systems
• Authors of publication: Less, Robert J.; Guan, Bihan; Muresan, Nicoleta M.; McPartlin, Mary; Reisner, Erwin; Wilson, Thomas C.; Wright, Dominic S.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5919
• a: 12.7176 ± 0.0002 Å
• b: 14.362 ± 0.0002 Å
• c: 15.2562 ± 0.0002 Å
• α: 114.112 ± 0.001°
• β: 101.556 ± 0.001°
• γ: 106.364 ± 0.001°
• Cell volume: 2276.61 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0734
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No