Information card for entry 2205988

Structure parameters

• Chemical name: Carbonyl(η^5^-cyclopentadienyl)(isocyanotriphenylborate- κC)(triphenylphosphine-κP)iron(II)
• Formula: C43 H35 B Fe N O P
• Calculated formula: C43 H35 B Fe N O P
• SMILES: [Fe]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[N][B](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Carbonyl(η^5^-cyclopentadienyl)(isocyanotriphenylborato-κ<i>C</i>)(triphenylphosphine-κ<i>P</i>)iron(II)
• Authors of publication: Hiroshi Nakazawa; Masumi Itazaki; Mari Owaribe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1166 - m1168
• a: 15.1206 ± 0.0006 Å
• b: 18.5827 ± 0.0008 Å
• c: 24.89 ± 0.001 Å
• α: 90°
• β: 90.033 ± 0.002°
• γ: 90°
• Cell volume: 6993.6 ± 0.5 ų
• Cell temperature: 203.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes