Information card for entry 7021335

Structure parameters

• Formula: C119 H162 Nb2 O4
• Calculated formula: C119 H162 Nb2 O4
• 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: 21.761 ± 0.003 Å
• b: 18.617 ± 0.003 Å
• c: 23.707 ± 0.004 Å
• α: 90°
• β: 93.768 ± 0.003°
• γ: 90°
• Cell volume: 9584 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No