Information card for entry 4309143

Structure parameters

• Formula: C10 H28 N2 O13 P4 Zn
• Calculated formula: C10 H26 N2 O13 P4 Zn
• Title of publication: Metal-Organotetraphosphonate Inorganic-Organic Hybrids: Crystal Structure and Anticorrosion Effects of Zinc Hexamethylenediaminetetrakis(methylenephosphonate) on Carbon Steels
• Authors of publication: Konstantinos D. Demadis; Christos Mantzaridis; Raphael G. Raptis; Gellert Mezei
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4469 - 4471
• a: 8.1703 ± 0.0012 Å
• b: 13.656 ± 0.002 Å
• c: 18.262 ± 0.003 Å
• α: 90°
• β: 93.413 ± 0.003°
• γ: 90°
• Cell volume: 2033.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No