Information card for entry 7009347

Structure parameters

• Formula: C86.25 H64.5 Cr N6 O0.75 P3 S6
• Calculated formula: C86.25 H64.5 Cr N6 O0.75 P3 S6
• Title of publication: Crystal supramolecular motifs for [Ph4P]+ salts of [M(mnt)2]2−, [M(mnt)2]−, [{M(mnt)2}2]2−, [M(mnt)3]3− and [M(mnt)3]2− (mnt2− = maleonitriledithiolate) †
• Authors of publication: Lewis, Gareth R.; Dance, Ian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 3176
• a: 24.5937 ± 0.0009 Å
• b: 14.7251 ± 0.0006 Å
• c: 25.2038 ± 0.001 Å
• α: 90°
• β: 117.822 ± 0.01°
• γ: 90°
• Cell volume: 8072.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No