Information card for entry 8106869

Structure parameters

• Formula: C30 H22 N4 O18 Re2
• Calculated formula: C30 H16 N4 O18 Re2
• Title of publication: Crystal structure of fac-hexacarbonylbisμ2-(3-carboxy-3′-carboxylato-2,2′-bipyridine)-κ3 N,N′:O-dirhenium(I) tetrahydrate, C30H22N4O18Re2
• Authors of publication: Schutte-Smith, Marietjie; Visser, Hendrik G.; Roodt, Andreas
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 335 - 338
• a: 10.167 ± 0.007 Å
• b: 17.57 ± 0.01 Å
• c: 19.95 ± 0.01 Å
• α: 90°
• β: 98.75 ± 0.01°
• γ: 90°
• Cell volume: 3522 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No