Information card for entry 7012393

Structure parameters

• Formula: C44 H42 Cl2 N2 O5 P2 Re2
• Calculated formula: C44 H42 Cl2 N2 O5 P2 Re2
• SMILES: [Re]1(Cl)(Cl)([NH]=C(c2cccc[n]12)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Re](=O)(=O)(=O)[O-].OC
• Title of publication: Synthesis and characterisation of new homoleptic rhenium thiosemicarbazone complexes
• Authors of publication: Cowley, Andrew R.; Dilworth, Jonathan R.; Donnelly, Paul S.; Woollard-Shore, John
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 748
• a: 13.3321 ± 0.0002 Å
• b: 17.7129 ± 0.0003 Å
• c: 19.3778 ± 0.0004 Å
• α: 106.466 ± 0.0008°
• β: 100.632 ± 0.0008°
• γ: 93.6732 ± 0.0008°
• Cell volume: 4280.07 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0703
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No