Information card for entry 7027097

Structure parameters

• Chemical name: Bis-[1,2-Bis-[ferrocen-1-ylcarbaldimino]-4-methylbenzene]copper(I) hexafluorophosphate dichloromethane solvate
• Formula: C59.7 H55.4 Cl3.4 Cu F6 Fe4 N4 P
• Calculated formula: C59.6 H51 Cl3.45 Cu F6 Fe4 N4 P
• Title of publication: Co-ordination chemistry of bis(ferrocenylcarbaldimine) Schiff bases
• Authors of publication: Li, Peiyi; Scowen, Ian J.; Davies, John E.; Halcrow, Malcolm A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 3791
• a: 17.091 ± 0.005 Å
• b: 20.019 ± 0.005 Å
• c: 17.797 ± 0.005 Å
• α: 90°
• β: 95.67 ± 0.04°
• γ: 90°
• Cell volume: 6059 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• 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: 0.1492
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No