Information card for entry 4320107

Structure parameters

• Formula: C43.75 H34 Cl2.25 Cu N O3 P2 S
• Calculated formula: C43.75 H34 Cl2.25 Cu N O3 P2 S
• Title of publication: Saccharinate as a Versatile Polyfunctional Ligand. Four Distinct Coordination Modes, Misdirected Valence, and a Dominant Aggregate Structure from a Single Reaction System
• Authors of publication: Larry R. Falvello; Julio Gomez; Isabel Pascual; Milagros Tomás; Esteban P. Urriolabeitia; Arthur J. Schultz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4455 - 4463
• a: 13.3164 ± 0.0002 Å
• b: 14.1508 ± 0.0002 Å
• c: 23.6548 ± 0.0004 Å
• α: 80.8106 ± 0.0009°
• β: 86.3813 ± 0.0008°
• γ: 78.8322 ± 0.0008°
• Cell volume: 4314.54 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1119
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No