Information card for entry 7017496

Structure parameters

• Formula: C67.4 H106 Br0.47 Co N14 O23.4 P Re0.47
• Calculated formula: C67.3941 H106 Br0.4647 Co N14 O23.3941 P Re0.4647
• Title of publication: 17 e- rhenium dicarbonyl CO-releasing molecules on a cobalamin scaffold for biological application.
• Authors of publication: Zobi, Fabio; Blacque, Olivier; Jacobs, Robert A.; Schaub, Marcus C.; Bogdanova, Anna Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 370 - 378
• a: 15.8806 ± 0.0002 Å
• b: 21.8255 ± 0.0003 Å
• c: 26.2738 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9106.6 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.1884
• 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