Information card for entry 4076847

Structure parameters

• Formula: C16 H36 Cr N6 O4
• Calculated formula: C16 H36 Cr N6 O4 P2
• SMILES: [Cr]([P](N(C)C)(N(C)C)N(C)C)([P](N(C)C)(N(C)C)N(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Ligand Substitution Processes on Carbonylmetal Derivatives. 3.1Reaction of Hydridopentacarbonylchromates with Phosphines
• Authors of publication: Brunet, Jean-Jacques; Diallo, Ousmane; Donnadieu, Bruno; Roblou, Emmanuel
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3388
• a: 15.4663 ± 0.0013 Å
• b: 13.7007 ± 0.0011 Å
• c: 23.544 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4989 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No