Information card for entry 7021334

Structure parameters

• Formula: C62 H86 Cl2 Nb O4
• Calculated formula: C60 H82 Cl2 Nb O3.5
• Title of publication: Reduction of carbon monoxide by a tetrakis(aryloxide)diniobium complex having four bridging hydrides.
• Authors of publication: Kurogi, Takashi; Ishida, Yutaka; Hatanaka, Tsubasa; Kawaguchi, Hiroyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7510 - 7513
• a: 21.571 ± 0.008 Å
• b: 10.906 ± 0.004 Å
• c: 24.181 ± 0.009 Å
• α: 90°
• β: 110.853 ± 0.003°
• γ: 90°
• Cell volume: 5316 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No