Information card for entry 4077768

Structure parameters

• Formula: C14 H14 Cr2 O4 P2
• Calculated formula: C14 H14 Cr2 O4 P2
• SMILES: [Cr]123456([Cr]789%10([PH2]1)([PH2]2)(C#[O])(C#[O])[cH]1[cH]8[cH]9[cH]%10[cH]71)(C#[O])(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31
• 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: 14.156 ± 0.003 Å
• b: 23.05 ± 0.005 Å
• c: 15.818 ± 0.003 Å
• α: 90°
• β: 109.54 ± 0.03°
• γ: 90°
• Cell volume: 4864 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No