Information card for entry 7013485

Structure parameters

• Formula: C36 H48 Cr N3 O3
• Calculated formula: C36 H48 Cr N3 O3
• SMILES: [Cr]123(OC(=Cc4[n]1c(ccc4)C)C(C)(C)C)(OC(=Cc1[n]2c(ccc1)C)C(C)(C)C)OC(=Cc1[n]3c(ccc1)C)C(C)(C)C
• 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: 10.957 ± 0.002 Å
• b: 18.642 ± 0.003 Å
• c: 16.593 ± 0.003 Å
• α: 90°
• β: 90.94 ± 0.02°
• γ: 90°
• Cell volume: 3388.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections: 0.2414
• Weighted residual factors for significantly intense reflections: 0.2169
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No