Information card for entry 7220407

Structure parameters

• Common name: 7
• Formula: C19 H30 Cr F6 N4 O5 P
• Calculated formula: C19 H30 Cr F6 N4 O5 P
• SMILES: [Cr]123([O]=C(C)C(=C(O1)C)C#N)(OC(=C(C(=[O]2)C)C#N)C)[NH2][C@H]1[C@H]([NH2]3)CCCC1.[P](F)(F)(F)(F)(F)[F-].OC
• Title of publication: Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)
• Authors of publication: Wang, Ai; Merkens, Carina; Englert, Ulli
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 4293
• a: 8.287 ± 0.0017 Å
• b: 14.806 ± 0.003 Å
• c: 21.367 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2621.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No