Information card for entry 7105854

Structure parameters

• Formula: C23 H40 B9 N Zn2
• Calculated formula: C23 H40 B9 N Zn2
• SMILES: [Zn]12(CC)[B]3456[H][Zn]7([N](CC[C]893[C]3%10(C)[BH]%11%129[BH]9%13%14[BH]%153%12[BH]3%129[BH]4%14([B]58%11%13[H]7)[BH]163[BH]2%10%15%12)(Cc1ccccc1)Cc1ccccc1)CC
• Title of publication: Charge-compensated Zn metallocenes with s-/p-chelating carboranyl ligands for the formation of constrained geometry Ru(II) and Ni(II) complexes
• Authors of publication: Jong-Dae Lee; Won-Sik Han; Tae-Jin Kim; Sang Hern Kim; Sang Ook Kang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1018
• a: 9.739 ± 0.005 Å
• b: 10.464 ± 0.005 Å
• c: 16.253 ± 0.008 Å
• α: 98.253 ± 0.01°
• β: 101.615 ± 0.01°
• γ: 116.492 ± 0.011°
• Cell volume: 1399.7 ± 1.2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 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: 0.3056
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.3267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No