Information card for entry 7225548

Structure parameters

• Formula: C23 H27 Cl Co N7 O5
• Calculated formula: C23 H27 Cl Co N7 O5
• SMILES: [Co]12([N](O)=C(C(=N1=O)C)C)(N(=O)=C(C(=[N]2O)C)C)([n]1cccc(/N=C/c2cc(Cl)ccc2O)c1)CCC#N
• 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: 7.962 ± 0.0007 Å
• b: 8.407 ± 0.0006 Å
• c: 18.899 ± 0.0014 Å
• α: 90°
• β: 94.566 ± 0.002°
• γ: 90°
• Cell volume: 1261.02 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No