Information card for entry 7010370

Structure parameters

• Formula: C57 H58.32 Cl13 O0.66 P4 Re2
• Calculated formula: C57 H57 Cl14 O P4 Re2
• Title of publication: Decarboxylation reactions of alkyne-carboxylic acids as a route to multiply bonded [Re2]n+ μ-alkyne and μ-carbyne complexes
• Authors of publication: Bera, Jitendra K.; Fanwick, Phillip E.; Walton, Richard A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 109
• a: 12.4448 ± 0.0003 Å
• b: 18.7581 ± 0.0005 Å
• c: 27.8011 ± 0.0008 Å
• α: 90°
• β: 101.582 ± 0.0019°
• γ: 90°
• Cell volume: 6357.8 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No