Information card for entry 4106268

Structure parameters

• Formula: C45 H54 B Cl2 Ir2 N
• Calculated formula: C45 H53 B Cl2 Ir2 N
• SMILES: [Ir]12345([Ir]6789(N1)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.ClCCl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: H-H and N-H Bond Cleavage of Dihydrogen and Ammonia with a Bifunctional Parent Imido (NH)-Bridged Diiridium Complex
• Authors of publication: Takashi Kimura; Naoyuki Koiso; Koji Ishiwata; Shigeki Kuwata; Takao Ikariya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8880 - 8883
• a: 9.722 ± 0.007 Å
• b: 12.154 ± 0.009 Å
• c: 18.628 ± 0.013 Å
• α: 81.67 ± 0.02°
• β: 80.053 ± 0.018°
• γ: 83 ± 0.02°
• Cell volume: 2135 ± 3 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93.1 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 significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No