Information card for entry 4320475

Structure parameters

• Formula: C78 H68 Fe3 Hg4 N2 O14 P4
• Calculated formula: C78 H68 Fe3 Hg4 N2 O14 P4
• SMILES: C1(=O)[Fe]2(C#[O])(C#[O])([Hg]31[Fe]1(C#[O])(C#[O])([P](c4[n]3c([P]2(c2ccccc2)c2ccccc2)ccc4)(c2ccccc2)c2ccccc2)[P](c2[n]3c([P](c4ccccc4)(c4ccccc4)[Fe]4(C(=O)[Hg]134)(C#[O])(C#[O])[Hg]1OC(=[O]1)C)ccc2)(c1ccccc1)c1ccccc1)[Hg]1OC(=[O]1)C.O1CCCC1.O1CCCC1
• 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: 22.244 ± 0.003 Å
• b: 14.4189 ± 0.0017 Å
• c: 25.38 ± 0.003 Å
• α: 90°
• β: 106.59 ± 0.002°
• γ: 90°
• Cell volume: 7801.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No