Information card for entry 7247745

Structure parameters

• Formula: C20 H26 Cl Cu N9 O4
• Calculated formula: C20 H26 Cl Cu N9 O4
• SMILES: [Cu]12([n]3ccccc3Nc3[n]1cccc3)([n]1ccccc1Nc1[n]2cccc1)N=N#N.[Cl-].O.O.O.O
• Title of publication: Electrocatalytic hydrogen production activity with a copper(ii)-dipyridylamine complex in acidic water
• Authors of publication: Diyali, Nilankar; Chettri, Meena; Saha, Subhajit; Saha, Ankita; Kundu, Subhankar; Mondal, Debasish; Dhak, Debasis; Biswas, Bhaskar
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 48
• Pages of publication: 6837 - 6844
• a: 7.0295 ± 0.0004 Å
• b: 27.8164 ± 0.0016 Å
• c: 12.8722 ± 0.0007 Å
• α: 90°
• β: 99.071 ± 0.005°
• γ: 90°
• Cell volume: 2485.5 ± 0.2 ų
• Cell temperature: 250 ± 0.1 K
• Ambient diffraction temperature: 250 ± 0.1 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: 0.0801
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No