Information card for entry 7013316

Structure parameters

• Formula: C22 H24 Cd Fe2 O2 P2 S4
• Calculated formula: C22 H24 Cd Fe2 O2 P2 S4
• Title of publication: Synthesis and structure of [Fc(RO)PS2]? complexes
• Authors of publication: Gray, Ian P.; Milton, Heather L.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 3450
• a: 12.842 ± 0.005 Å
• b: 16.296 ± 0.006 Å
• c: 13.563 ± 0.005 Å
• α: 90°
• β: 113.698 ± 0.007°
• γ: 90°
• Cell volume: 2599 ± 1.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.1114
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No