Information card for entry 7118229

Structure parameters

• Formula: C23 H21 Co N5 O4
• Calculated formula: C23 H21 Co N5 O4
• SMILES: C1(=[N]2N=C(c3ccccc3)O[Co]342([n]2c1cccc2C(=[N]3N=C(c1ccccc1)O4)C)([OH2])[OH2])C
• Title of publication: Modulation of the coordination environment: a convenient approach to tailor magnetic anisotropy in seven coordinate Co(II) complexes
• Authors of publication: Dey, Mamon; Dutta, Snigdha; Sarma, Bipul; Deka, Ramesh Ch.; Gogoi, Nayanmoni
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 753 - 756
• a: 26.039 ± 0.0011 Å
• b: 11.4044 ± 0.0005 Å
• c: 7.3288 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2176.35 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No