Information card for entry 4319191

Structure parameters

• Formula: C39 H40 N O5 P S
• Calculated formula: C39 H42 N O5 P S
• Title of publication: Dinuclear Calcium Complex with Weakly NH...O Hydrogen-Bonded Sulfonate Ligands
• Authors of publication: Akira Onoda; Yusuke Yamada; Mototsugu Doi; Taka-aki Okamura; Norikazu Ueyama
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 516 - 521
• a: 10.562 ± 0.002 Å
• b: 18.472 ± 0.004 Å
• c: 9.301 ± 0.001 Å
• α: 93.91 ± 0.01°
• β: 95.87 ± 0.01°
• γ: 85.05 ± 0.02°
• Cell volume: 1795.2 ± 0.6 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 2.148
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No