Information card for entry 4075067

Structure parameters

• Formula: C25 H31 Fe O9 P3 S W
• Calculated formula: C25 H31 Fe O9 P3 S W
• SMILES: [W]1234([c]5(P6(=[S][Fe]789%10([P](OC)(OC)OC)([P](OC)(OC)OC)[c]%116[cH]7[cH]8[cH]9[cH]%10%11)c6ccccc6)[cH]1[cH]2[cH]3[cH]45)(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of Ring-Slipped Iron Complexes Derived from P(S)Ph-Bridged [1]Ferrocenophane: Synthesis of Bis(half-sandwich) Heterodinuclear Complexes
• Authors of publication: Imamura, Yuki; Kubo, Kazuyuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2301
• a: 9.743 ± 0.0001 Å
• b: 13.249 ± 0.0001 Å
• c: 23.155 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2988.96 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No