Information card for entry 7024861

Structure parameters

• Formula: C44 H58 B Cl2 N8 Re S2
• Calculated formula: C44 H58 B Cl2 N8 Re S2
• Title of publication: A hexadentate bis(thiosemicarbazonato) ligand: rhenium(V), iron(III) and cobalt(III) complexes.
• Authors of publication: Paterson, Brett M.; White, Jonathan M.; Donnelly, Paul S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 2831 - 2837
• a: 11.6203 ± 0.0001 Å
• b: 20.2158 ± 0.0002 Å
• c: 19.8643 ± 0.0002 Å
• α: 90°
• β: 97.69 ± 0.001°
• γ: 90°
• Cell volume: 4624.43 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No