Information card for entry 7009700

Structure parameters

• Formula: C23 H27 Cl N2 O4 P Re
• Calculated formula: C23 H27 Cl N2 O4 P Re
• SMILES: [Re]12(Cl)([P](c3c(C(=O)N1CC[NH2]2)cccc3)(c1ccccc1)c1ccccc1)(=O)OC.OC
• Title of publication: Novel six-co-ordinate oxorhenium complexes with ligands containing PN2 and PNO donor atom sets: syntheses and structural characterization
• Authors of publication: Correia, João D. G.; Domingos, Ângela; Paulo, António; Santos, Isabel
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2477
• a: 9.1698 ± 0.001 Å
• b: 24.026 ± 0.003 Å
• c: 10.8833 ± 0.0011 Å
• α: 90°
• β: 97.519 ± 0.009°
• γ: 90°
• Cell volume: 2377.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.083
• Goodness-of-fit parameter for all reflections: 1.119
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No