Information card for entry 4077767

Structure parameters

• Formula: C14 H13 Cr2 O4 P
• Calculated formula: C14 H13 Cr2 O4 P
• SMILES: [PH2]1[Cr]2345(C#[O])(C#[O])([cH]6[cH]2[cH]3[cH]5[cH]46)[H][Cr]23451(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Unusual Reactivity of a Cr2P2Tetrahedral Complex toward Superhydride; Formation of [{CpCr(CO)2}2(μ-PH2)x(μ-H)2-x] (x= 1 and 2) and [\λangle {CpCr(CO)2}2(μ-PH)〉{(CpCr)2(μ,η1:η1:η5:η5-P5)}]†
• Authors of publication: Sekar, Perumal; Scheer, Manfred; Voigt, Andreas; Kirmse, Reinhard
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 2833
• a: 7.252 ± 0.0015 Å
• b: 16.144 ± 0.003 Å
• c: 12.733 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1490.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No