Information card for entry 2006383

Structure parameters

• Chemical name: Bis(triphenylphosphonine)iminium Trichloro(cyclopentadienyl)chromide(III)
• Formula: C41 H35 Cl3 Cr N P2
• Calculated formula: C41 H35 Cl3 Cr N P2
• SMILES: [Cr]1234(Cl)(Cl)(Cl)[cH]5[cH]1[cH]2[cH]3[cH]45.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(triphenylphosphine-<i>P</i>)iminium Trichloro(η^5^-cyclopentadienyl)chromide(III)
• Authors of publication: Scheer, Manfred; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1038 - 1039
• a: 10.307 ± 0.005 Å
• b: 16.161 ± 0.01 Å
• c: 22.496 ± 0.01 Å
• α: 91.57 ± 0.04°
• β: 89.81 ± 0.04°
• γ: 101.1 ± 0.04°
• Cell volume: 3676 ± 3 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.1642
• Weighted residual factors for significantly intense reflections: 0.1304
• Goodness-of-fit parameter for all reflections: 0.95
• Goodness-of-fit parameter for significantly intense reflections: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No