Information card for entry 3000040

Structure parameters

• Formula: C10 H7 K N8 O6
• Calculated formula: C10 H7 K N8 O6
• Title of publication: Ab <i>initio</i> structure determination of kidney stone potassium quadriurate from synchrotron powder diffraction data, a 150 years problem solved
• Authors of publication: Dominique Bazin; Michel Daudon; Erik Elkaim; Armel Le Bail; Lubomir Smrcok
• Journal of publication: Comptes Rendus Chimie
• Year of publication: 2016
• Journal volume: 19
• Pages of publication: 1535 - 1541
• a: 3.60504 ± 0.00009 Å
• b: 19.9293 ± 0.0007 Å
• c: 18.4841 ± 0.0006 Å
• α: 90°
• β: 100.503 ± 0.002°
• γ: 90°
• Cell volume: 1305.76 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor R(I) for significantly intense reflections: 3.2768
• Goodness-of-fit parameter for all reflections: 3.044
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.72442 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No