Information card for entry 4320474

Structure parameters

• Formula: C78 H62 Fe4 Hg4 N2 O14 P4
• Calculated formula: C78 H62 Fe4 Hg4 N2 O14 P4
• SMILES: C([Fe]12(C#[O])(C#[O])[P](c3ccccc3)(c3ccccc3)c3[n]4c([P](c5ccccc5)(c5ccccc5)[Fe](C#[O])(C#[O])(C#[O])([Hg]14)[Hg][Fe]1(C#[O])(C#[O])(C#[O])[P](c4ccccc4)(c4ccccc4)c4[n]5c([P](c6ccccc6)(c6ccccc6)[Fe](C#[O])(C#[O])(C#[O])([Hg]15)[Hg]2)ccc4)ccc3)#[O].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: 15.606 ± 0.002 Å
• b: 14.677 ± 0.002 Å
• c: 18.83 ± 0.003 Å
• α: 90°
• β: 111.445 ± 0.003°
• γ: 90°
• Cell volume: 4014.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0982
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No