Information card for entry 7248393

Structure parameters

• Formula: C39 H52 Co3 N16 O5
• Calculated formula: C38 H48 Co3 N16 O4
• SMILES: [Co]1234([O]5[Co]6([O]7[Co]89([O]6c6c(C[NH]9CC(C[NH]8Cc8c7cccc8)(C)C)cccc6)(N=N#[N]4)N=N#N)([O]1c1c(C[NH]3CC(C[NH]2Cc2c5cccc2)(C)C)cccc1)N=N#N)N=N#N
• Title of publication: Application of a distinctly bent, trinuclear, end-to-end azide bridged, mixed valence cobalt(iii/ii/iii) complex in the fabrication of photosensitive Schottky barrier diodes
• Authors of publication: Bhunia, Sudip; Das, Mainak; Banerjee, Snehasis; Drew, Michael. G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 11185 - 11196
• a: 21.066 ± 0.008 Å
• b: 12.519 ± 0.007 Å
• c: 17.232 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4545 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0454
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No