Information card for entry 4318650

Structure parameters

• Common name: structure_4
• Formula: C78 H97 Cl2 N14 Ni4 O21.5
• Calculated formula: C78 H97 Cl2 N14 Ni4 O21.54
• Title of publication: Hydrolytically Active Tetranuclear Nickel Complexes with Structural Resemblance to the Active Site of Urease
• Authors of publication: Håkan Carlsson; Matti Haukka; Ebbe Nordlander
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4981 - 4983
• a: 13.9016 ± 0.0002 Å
• b: 15.5577 ± 0.0002 Å
• c: 21.0623 ± 0.0003 Å
• α: 77.4506 ± 0.0005°
• β: 89.7781 ± 0.0005°
• γ: 71.9627 ± 0.0006°
• Cell volume: 4218.06 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No