Information card for entry 7059170

Structure parameters

• Common name: S156
• Formula: C26 H35 Co N9 Na O5
• Calculated formula: C26 H35 Co N9 Na O5
• SMILES: CC[O]1c2cccc3c2[O]2[Na]451([O]1[Co]62([N](=C3)CC(C)(C)C[N]6=Cc2cccc([O]4CC)c12)(N=N#N)N=N#[N]5)[O]=CN(C)C
• Title of publication: Representation of a photosensitive Schottky barrier diode made with hetero-dinuclear cobalt(iii)/sodium building blocks
• Authors of publication: Roy, Sourav; Halder, Soumi; Dey, Arka; Harms, Klaus; Ray, Partha Pratim; Chattopadhyay, Shouvik
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1285 - 1293
• a: 17.2424 ± 0.0011 Å
• b: 10.3111 ± 0.0007 Å
• c: 16.5976 ± 0.0011 Å
• α: 90°
• β: 97.57 ± 0.002°
• γ: 90°
• Cell volume: 2925.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No