Information card for entry 7709943

Structure parameters

• Formula: C50 H33 Cu N2 O4 Se4
• Calculated formula: C50 H33 Cu N2 O4 Se4
• SMILES: [Se](c1c(O[Cu]2([n]3c4c5[n]2cccc5ccc4ccc3)Oc2c([Se]c3ccccc3)cc(cc2[Se]c2ccccc2)C=O)c([Se]c2ccccc2)cc(c1)C=O)c1ccccc1
• Title of publication: Isolation of Monomeric Copper(II) Phenolate Selenoether Complexes using Chelating ortho-Bisphenylselenide-phenolate Ligands and Their Electrocatalytic Hydrogen Gas Evolution Activity
• Authors of publication: Upadhyay, Aditya; Meena, Harshita; Jha, Raushan Kumar; Kanika, Kanika; Kumar, Sangit
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.7004 ± 0.0015 Å
• b: 12.8883 ± 0.0018 Å
• c: 13.2533 ± 0.0017 Å
• α: 95.014 ± 0.004°
• β: 90.846 ± 0.005°
• γ: 92.024 ± 0.004°
• Cell volume: 2159.4 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1563
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No