Information card for entry 7012033

Structure parameters

• Formula: C45 H34 O2 P2 Se2
• Calculated formula: C45 H34 O2 P2 Se2
• SMILES: [Se]=P(Oc1ccc2ccccc2c1Cc1c2ccccc2ccc1OP(=[Se])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and derivatization, structures and transition metal chemistry of a new large bite bis(phosphinite) derived from bis(2-hydroxy-1-naphthyl)methane
• Authors of publication: Balakrishna, Maravanji S.; Panda, Rashmishree; Mague, Joel T.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4617
• a: 44.656 ± 0.003 Å
• b: 11.1275 ± 0.0009 Å
• c: 15.5265 ± 0.0018 Å
• α: 90°
• β: 99.753 ± 0.008°
• γ: 90°
• Cell volume: 7603.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No