Information card for entry 1511773

Structure parameters

• Chemical name: bis(Dichloro-4,7-dihydro-5-methyl-7-oxo(1,2,4)triazolo(1,5a)pyrimidine- mercury) 4,7-dihydro-5-methyl-7-oxo(1,2,4)triazolo(1,5a)pyrimidine monohydrate
• Formula: C18 H20 Cl4 Hg2 N12 O4
• Calculated formula: C18 Cl4 Hg2 N12 O4
• Title of publication: Mercury(II) Complexes of 4,7-Dihydro-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine. Stabilization of Two Chemically Different Metal Coordination Environments by Hydrogen Bonding Assembly
• Authors of publication: Juan M. Salas; Jorge A.R. Navarro; M. Angustias Romero; Miguel Quirós
• Journal of publication: Anales de Química, International Edition
• Year of publication: 1997
• Journal volume: 93
• Pages of publication: 55 - 59
• a: 3.996 ± 0.001 Å
• b: 23.193 ± 0.005 Å
• c: 29.483 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2732.5 ± 1.1 ų
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No