Information card for entry 4323506

Structure parameters

• Formula: C76.5 H45 Br Cl Hg O21 P2 Re7 S
• Calculated formula: C76.5 H45 Br Cl Hg O21 P2 Re7 S
• Title of publication: Carbidoheptarhenate Complexes of Mercury Hydroxide and Arenethiolate. Crystal Structures of [NEt3Bz]2[Re7C(CO)21HgOH] and [PPh4]2[Re7C(CO)21HgSC6H4Br]
• Authors of publication: Udo Brand; Jeffery L. Coffer; Timothy J. Henly; Scott R. Wilson; John R. Shapley
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3386 - 3389
• a: 12.4099 ± 0.0001 Å
• b: 13.7639 ± 0.0001 Å
• c: 25.8584 ± 0.0005 Å
• α: 79.39 ± 0.001°
• β: 79.927 ± 0.001°
• γ: 65.511 ± 0.001°
• Cell volume: 3926.72 ± 0.09 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.0797
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No