Information card for entry 1101127

Structure parameters

• Formula: C10 H12 Cl2 Hg N4 O2
• Calculated formula: C10 H12 Cl2 Hg N4 O2
• SMILES: [Hg]1(Cl)(Cl)[n]2c3c(N(C)C(=O)N(C)C3=[O]1)nc(c2C)C
• Title of publication: Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.
• Authors of publication: Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
• Journal of publication: Polyhedron
• Year of publication: 1998
• Journal volume: 17
• Pages of publication: 3409 - 3418
• a: 8.0064 ± 0.0006 Å
• b: 9.3736 ± 0.0006 Å
• c: 10.6279 ± 0.0005 Å
• α: 71.414 ± 0.007°
• β: 81.536 ± 0.006°
• γ: 70.904 ± 0.008°
• Cell volume: 713.59 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1182
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No