Information card for entry 4338800

Structure parameters

• Formula: C50 H88 Br4 Ir2 N2 Si2 Zr2
• Calculated formula: C50 H88 Br4 Ir2 N2 Si2 Zr2
• Title of publication: A study on zr-ir multiple bonding active for C-h bond cleavage.
• Authors of publication: Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6634 - 6654
• a: 10.6656 ± 0.0003 Å
• b: 16.2659 ± 0.0005 Å
• c: 18.2041 ± 0.0006 Å
• α: 104.058 ± 0.0011°
• β: 104.732 ± 0.0011°
• γ: 91.955 ± 0.0011°
• Cell volume: 2947.34 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No