Information card for entry 7114744

Structure parameters

• Formula: C46 H59 Cl2 N6 Ni2 O16 P
• Calculated formula: C46 H55 Cl2 N6 Ni2 O16 P
• Title of publication: Hydrolysis of phosphodiester with hydroxo- or carboxylate-bridged dinuclear Ni(ii) and Cu(ii) complexes
• Authors of publication: Yamaguchi, Kazuya; Akagi, Fumio; Suzuki, Shinnichiro; Fujinami, Shuhei; Suzuki, Masatatsu; Shionoya, Mitsuhiko
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 375
• a: 13.5091 ± 0.0004 Å
• b: 20.927 ± 0.001 Å
• c: 18.0299 ± 0.0009 Å
• α: 90°
• β: 96.4758 ± 0.0005°
• γ: 90°
• Cell volume: 5064.6 ± 0.4 ų
• Cell temperature: 138.2 K
• Ambient diffraction temperature: 138.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections: 1.498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.498
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No