Information card for entry 7127429

Structure parameters

• Chemical name: C2
• Formula: C22 H36 Cl2 Co2 N10 O8
• Calculated formula: C22 H36 Cl2 Co2 N10 O8
• SMILES: [Co]12(Cl)([N](O)=C(C(=[N]1O)C)C)(N(=O)=C(C(=N2=O)C)C)[n]1ccc(cc1)C[NH2][Co]12(Cl)([N](O)=C(C)C(C)=N2=O)[N](O)=C(C)C(C)=N1=O
• Title of publication: Probing the peripheral role of amines in photo- and electrocatalytic H₂ production by molecular cobalt complexes.
• Authors of publication: Dolui, Dependu; Mir, Ab Qayoom; Dutta, Arnab
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 94
• Pages of publication: 14841 - 14844
• a: 20.399 ± 0.0012 Å
• b: 20.399 ± 0.0012 Å
• c: 14.7613 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5319.5 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No