Information card for entry 7010261

Structure parameters

• Formula: C49 H39 Br Cl N2 O Os P2
• Calculated formula: C49 H39 Br Cl N2 O Os P2
• SMILES: [Os]12(Br)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)Oc3c([N]1=Nc1c2cc(Cl)cc1)cc(C)cc3
• Title of publication: Cyclometallation and NN bond cleavage of 2-(arylazo)phenols by osmium. Synthesis, structure and redox properties †
• Authors of publication: Majumder, Kanchana; Peng, Shie-Ming; Bhattacharya, Samaresh
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 284
• a: 12.2703 ± 0.0002 Å
• b: 19.1253 ± 0.0001 Å
• c: 19.2075 ± 0.0003 Å
• α: 90°
• β: 107.742 ± 0.001°
• γ: 90°
• Cell volume: 4293.1 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections: 0.161
• Weighted residual factors for significantly intense reflections: 0.1494
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No