Information card for entry 7118228

Structure parameters

• Formula: C25 H21 Co N7 O5 S2
• Calculated formula: C25 H21 Co N7 O5 S2
• SMILES: O.O.O.c12cccc3C(C)=[N]4NC(c5ccccc5)=[O][Co]54([n]23)([N](=C1C)NC(=[O]5)c1ccccc1)(N=C=S)N=C=S
• 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: 10.692 ± 0.002 Å
• b: 11.464 ± 0.002 Å
• c: 24.031 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2945.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No