Information card for entry 4341080

Structure parameters

• Formula: C62 H82 Cl4 Hg2 I4 Mo4 O4 P2
• Calculated formula: C62 H82 Cl4 Hg2 I4 Mo4 O4 P2
• SMILES: [Mo]12345([Hg]6([I][Hg]78([Mo]9%10%11%12(P%13[Mo]%14%15%16%17%18%19%20%21%22([cH]%23[cH]%14[cH]%15[cH]%16[cH]%17%23)[c]%14%13[c]%18([cH]%19[c]%20([cH]%21[c]%22%14C(C)(C)C)C(C)(C)C)C(C)(C)C)(C7=O)(C8=O)[cH]7[cH]%12[cH]%11[cH]%10[cH]97)([I]6)I)(I)C1=O)(P1[Mo]6789%10%11%12%13%14([cH]%15[cH]6[cH]7[cH]8[cH]9%15)[c]61[c]%10([cH]%11[c]%12([cH]%13[c]%146C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51.C(Cl)Cl.C(Cl)Cl
• Title of publication: Gold(I) and related heterometallic derivatives of dimolybdenum complexes with asymmetric phosphinidene bridges.
• Authors of publication: Alvarez, Belén; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; Ruiz, Miguel A.; Suárez, Jaime
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10325 - 10339
• a: 10.8045 ± 0.0007 Å
• b: 13.6911 ± 0.0008 Å
• c: 26.0039 ± 0.0017 Å
• α: 90.079 ± 0.003°
• β: 95.095 ± 0.002°
• γ: 106.489 ± 0.003°
• Cell volume: 3672.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No