Information card for entry 4328977

Structure parameters

• Formula: C32 H34 B Cl3 N6 O3 P2 Ru
• Calculated formula: C32 H34 B Cl3 N6 O3 P2 Ru
• SMILES: [Ru]12(Cl)([P]34OCC(O3)(CO4)C)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1.ClCCl
• Title of publication: Coordination Chemistry of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane: Preparation and Characterization of Ru(II) Complexes
• Authors of publication: Evan E. Joslin; Claire L. McMullin; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat; William H. Myers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4791 - 4801
• a: 14.5126 ± 0.0003 Å
• b: 13.5883 ± 0.0003 Å
• c: 17.839 ± 0.0004 Å
• α: 90°
• β: 93.643 ± 0.001°
• γ: 90°
• Cell volume: 3510.77 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No