Information card for entry 7038822

Structure parameters

• Formula: C23.5 H22.5 Cu2 N6 O9
• Calculated formula: C23.5 H22.5 Cu2 N6 O9
• Title of publication: Copper complexes as catalyst precursors in the electrochemical hydrogen evolution reaction.
• Authors of publication: Kügler, Merle; Scholz, Julius; Kronz, Andreas; Siewert, Inke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6974 - 6982
• a: 8.8934 ± 0.0018 Å
• b: 10.975 ± 0.002 Å
• c: 13.212 ± 0.003 Å
• α: 79.75 ± 0.03°
• β: 80.08 ± 0.03°
• γ: 84.89 ± 0.03°
• Cell volume: 1247.7 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.113
• 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: Yes
• Has Fobs: No