Information card for entry 7225546

Structure parameters

• Formula: C24 H30 Co N7 O6
• Calculated formula: C24 H30 Co N7 O6
• SMILES: C(#N)CC[Co]12(N(=C(C(C)=[N]1O)C)=O)([N](=C(C(C)=N2=O)C)O)[n]1cccc(c1)/N=C/c1cc(ccc1O)OC
• Title of publication: Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization
• Authors of publication: Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 38
• Pages of publication: 7330
• a: 17.211 ± 0.0005 Å
• b: 7.562 ± 0.0002 Å
• c: 21.477 ± 0.0005 Å
• α: 90°
• β: 107.555 ± 0.001°
• γ: 90°
• Cell volume: 2665.04 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No