Information card for entry 7013487

Structure parameters

• Formula: C40 H53 Cl2 Cr2 N5 O2
• Calculated formula: C40 H53 Cl2 Cr2 N5 O2
• SMILES: [Cr]123[O]([C@](Cc4[n]1c(ccc4)C)(Cc1nc(ccc1)C)C(C)(C)C)[Cr]1(Cl)([O]2[C@@](Cc2[n]3c(ccc2)C)(Cc2[n]1c(ccc2)C)C(C)(C)C).[Cl-].N#CC.[Cr]123[O]([C@@](Cc4[n]1c(ccc4)C)(Cc1nc(ccc1)C)C(C)(C)C)[Cr]1(Cl)([O]2[C@](Cc2[n]3c(ccc2)C)(Cc2[n]1c(ccc2)C)C(C)(C)C).[Cl-].N#CC
• Title of publication: Low valent chromium complexes bearing N,O-chelating pyridyl-enolate ligands [OC(Bu^t^)(=2-CHN~5~H~3~Me-x)]^-^ (x = 3-6)
• Authors of publication: Gibson, Vernon C.; Newton, Claire; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4612 - 4617
• a: 16.147 ± 0.002 Å
• b: 11.9358 ± 0.0015 Å
• c: 21.325 ± 0.004 Å
• α: 90°
• β: 92.896 ± 0.015°
• γ: 90°
• Cell volume: 4104.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.1488
• Weighted residual factors for significantly intense reflections: 0.1164
• Goodness-of-fit parameter for all reflections: 0.991
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No