Information card for entry 2006196

Structure parameters

• Common name: Dichloro-tetrabiphenylcarboxylate-dirhenium
• Chemical name: Dichloro tetrakis(μ~2~-2-biphenylcarboxylato) dirhenium(III) - dichloromethane solvate
• Formula: C54 H40 Cl6 O8 Re2
• Calculated formula: C54 H40 Cl6 O8 Re2
• SMILES: [Re]1234(Cl)[O]=C(c5ccccc5c5ccccc5)O[Re]4([O]=C(c4ccccc4c4ccccc4)O1)(OC(=[O]3)c1ccccc1c1ccccc1)([O]=C(O2)c1ccccc1c1ccccc1)Cl.ClCCl.ClCCl
• Title of publication: Tetrakis(μ-2-biphenylcarboxylato-<i>O</i>:<i>O</i>')bis[chlororhenium(III)] Bis(dichloromethane) Solvate
• Authors of publication: Cotton, F. Albert; Daniels, Lee M.; Liu, Jian; Ren, Tong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 714 - 716
• a: 11.364 ± 0.003 Å
• b: 11.372 ± 0.003 Å
• c: 11.668 ± 0.004 Å
• α: 76.13 ± 0.02°
• β: 89.66 ± 0.03°
• γ: 65.21 ± 0.02°
• Cell volume: 1321.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.0826
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No