Information card for entry 7008350

Structure parameters

• Formula: C54 H42 Cl3 In2 O3 P3
• Calculated formula: C54 H42 Cl3 In2 O3 P3
• SMILES: [In]1234([O]5[In](Cl)(Cl)([P](c6ccccc65)(c5ccccc5)c5ccccc5)([O]3c3c([P]1(c1ccccc1)c1ccccc1)cccc3)[O]4c1c([P]2(c2ccccc2)c2ccccc2)cccc1)Cl
• Title of publication: Coordination chemistry of P, O-bidentate phosphinophenolates with Ga3+ and In3+.
• Authors of publication: Saatchi, Katayoun; Patrick, Brian O.; Orvig, Chris
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 13
• Pages of publication: 2268 - 2274
• a: 11.0558 ± 0.0003 Å
• b: 13.2211 ± 0.0007 Å
• c: 18.694 ± 0.002 Å
• α: 83.908 ± 0.002°
• β: 85.429 ± 0.003°
• γ: 64.939 ± 0.002°
• Cell volume: 2459.4 ± 0.3 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 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: 0.0806
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections: 1.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No