Information card for entry 7707625

Structure parameters

• Formula: C36 H60 Cl12 Cu2 N12 O2
• Calculated formula: C36 H60 Cl12 Cu2 N12 O2
• Title of publication: On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.
• Authors of publication: Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 27
• Pages of publication: 9467 - 9482
• a: 12.7604 ± 0.001 Å
• b: 13.8481 ± 0.0013 Å
• c: 16.4023 ± 0.0014 Å
• α: 90°
• β: 109.778 ± 0.003°
• γ: 90°
• Cell volume: 2727.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0488
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No