Information card for entry 4320471

Structure parameters

• Formula: C37 H23 Fe2 N O8 P2
• Calculated formula: C37 H23 Fe2 N O8 P2
• SMILES: [Fe]([P](c1ccccc1)(c1ccccc1)c1nc([P]([Fe](C#[O])(C#[O])(C#[O])C#[O])(c2ccccc2)c2ccccc2)ccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: 2,6-Bis(diphenylphosphino)pyridine-Bridged Hetero-Polynuclear Complexes Consolidated by Fe\ρightarrowM (M = Ag, Hg) Dative Bonding
• Authors of publication: Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5928 - 5933
• a: 14.4593 ± 0.0006 Å
• b: 11.1013 ± 0.0005 Å
• c: 23.1378 ± 0.001 Å
• α: 90°
• β: 101.126 ± 0.001°
• γ: 90°
• Cell volume: 3644.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1808
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No