Information card for entry 1101130

Structure parameters

• Formula: C16 H16 Au Br4 N8 Na O4
• Calculated formula: C16 H16 Au Br4 N8 Na O4
• SMILES: [Au](Br)(Br)(Br)[Br-].[Na+].N1(C)c2c(C(=O)N(C1=O)C)nccn2.N1(C)c2c(C(=O)N(C1=O)C)nccn2
• Title of publication: Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction stuides on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives
• Authors of publication: Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
• Journal of publication: Journal of Chemical Cristallography
• Year of publication: 1998
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 565 - 570
• a: 15.2488 ± 0.0012 Å
• b: 15.238 ± 0.0015 Å
• c: 21.563 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5010.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1001
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No