Information card for entry 7009788

Structure parameters

• Formula: C30.5 H31.5 B Cl1.5 Cu N6 P
• Calculated formula: C30.5 H31.5 B Cl1.50001 Cu N6 P
• Title of publication: Synthesis, spectroscopic characterization, and structural systematics of new triorganophosphinecopper(I) poly(pyrazol-1-yl)borate complexes †
• Authors of publication: Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; Somers, Neil; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3416
• a: 12.72 ± 0.0014 Å
• b: 12.72 ± 0.0014 Å
• c: 22.033 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3087.3 ± 0.6 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections: 1.534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.683
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No