Information card for entry 7114745

Structure parameters

• Formula: C48 H59.5 Cl2 Cu2 N8.5 O19.5 P
• Calculated formula: C47.5 H45 Cl1.5 Cu2 N8.25 O18 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: 22.941 ± 0.004 Å
• b: 36.36 ± 0.004 Å
• c: 14.16 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11811 ± 3 ų
• Cell temperature: 288.2 K
• Ambient diffraction temperature: 288.2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections: 4.255
• Goodness-of-fit parameter for all reflections included in the refinement: 4.26
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No