Information card for entry 4320225

Structure parameters

• Formula: C63 H42 Hg N3 O22 P2 Re7 S
• Calculated formula: C63 H42 Hg N3 O22 P2 Re7 S
• SMILES: [Hg]12([Re]3456([C]789%10[Re]%11%1213([Re]1247([Re]239%12([Re]458%11([Re]6%1012([Re]34(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[S]=C(N(C)C)N(C)C.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: Synthesis and Characterization of the Dimercury(I)-Linked Compound [PPN]4[(Re7C(CO)21Hg)2]. Oxidative Cleavage of the Mercury-Mercury Bond Leading to Carbidoheptarhenate Complexes of Mercury(II), Including [PPN][Re7C(CO)21Hg(SC(NMe2)2)]
• Authors of publication: Chris A. Wright; Udo Brand; John R. Shapley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4896 - 4901
• a: 11.1239 ± 0.0003 Å
• b: 15.5365 ± 0.0004 Å
• c: 21.0417 ± 0.0005 Å
• α: 87.451 ± 0.001°
• β: 78.011 ± 0.001°
• γ: 89.895 ± 0.001°
• Cell volume: 3553.62 ± 0.16 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No