Information card for entry 4327121

Structure parameters

• Formula: C36 H55 B Cl6 Cu N6 P S3
• Calculated formula: C36 H55 B Cl6 Cu N6 P S3
• Title of publication: Pyridazine Based Scorpionate Ligand in a Copper Boratrane Compound
• Authors of publication: Gernot Nuss; Gerald Saischek; Bastian N. Harum; Manuel Volpe; Ferdinand Belaj; Nadia C. Mösch-Zanetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12632 - 12640
• a: 11.2357 ± 0.0014 Å
• b: 12.9285 ± 0.0017 Å
• c: 16.999 ± 0.002 Å
• α: 75.682 ± 0.005°
• β: 74.773 ± 0.004°
• γ: 78.656 ± 0.004°
• Cell volume: 2285.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No