Information card for entry 4115830

Structure parameters

• Formula: C27 H56 Ir2 N6 P2
• Calculated formula: C27 H56 Ir2 N6 P2
• SMILES: [IrH]12([H][IrH2]([P](C(C)C)(C(C)C)C(C)C)([n]3n2ccc3)[n]2n1ccc2)([P](C(C)C)(C(C)C)C(C)C)[n]1[nH]ccc1
• Title of publication: Transmission of Trans Effects in Dinuclear Complexes
• Authors of publication: Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11925 - 11932
• a: 10.693 ± 0.002 Å
• b: 12.514 ± 0.003 Å
• c: 14.836 ± 0.003 Å
• α: 74.3 ± 0.03°
• β: 75.73 ± 0.03°
• γ: 69.95 ± 0.03°
• Cell volume: 1769.2 ± 0.8 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No