Information card for entry 4505128

Structure parameters

• Chemical name: Bis(2-amino-4-hydroxypteridinate)ethylenediaminenickel(II)
• Formula: C7 H13 N6 Ni0.5 O3.5
• Calculated formula: C7 H13 N6 Ni0.5 O3.5
• Title of publication: Hydrogen-Bonding Network in Metal−Pterin Complexes: Synthesis and Characterization of Water-Soluble Octahedral Nickel and Cadmium Pterine Derivatives
• Authors of publication: Crispini, Alessandra; Pucci, Daniela; Bellusci, Anna; Barberio, Giovanna; La Deda, Massimo; Cataldi, Antonella; Ghedini, Mauro
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1597
• a: 7.8179 ± 0.0016 Å
• b: 9.4709 ± 0.0019 Å
• c: 15.568 ± 0.003 Å
• α: 90°
• β: 91.16 ± 0.03°
• γ: 90°
• Cell volume: 1152.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No