Information card for entry 7709945

Structure parameters

• Chemical name: Copper(II) Selenolate
• Formula: C50 H38 Cu N2 O2 Se4
• Calculated formula: C50 H38 Cu N2 O2 Se4
• SMILES: [Se](c1c(O[Cu]2([n]3c4c5[n]2cccc5ccc4ccc3)Oc2c([Se]c3ccccc3)cc(cc2[Se]c2ccccc2)C)c([Se]c2ccccc2)cc(c1)C)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: 12.6205 ± 0.0012 Å
• b: 12.9154 ± 0.0013 Å
• c: 13.3929 ± 0.0013 Å
• α: 85.016 ± 0.004°
• β: 89.942 ± 0.004°
• γ: 87.871 ± 0.004°
• Cell volume: 2173.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0491
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No