Information card for entry 7009701

Structure parameters

• Formula: C41 H36 N O6 P2 Re
• Calculated formula: C41 H32 N O6 P2 Re
• SMILES: [Re]123([P](c4c(C(=O)O2)cccc4)(c2ccccc2)c2ccccc2)([P](c2ccccc2C(=O)N3CCO1)(c1ccccc1)c1ccccc1)=O.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: 9.496 ± 0.001 Å
• b: 13.118 ± 0.002 Å
• c: 15.706 ± 0.002 Å
• α: 83.86 ± 0.01°
• β: 83.55 ± 0.01°
• γ: 69.17 ± 0.01°
• Cell volume: 1812.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.0758
• Goodness-of-fit parameter for all reflections: 1.116
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No