Information card for entry 7042985

Structure parameters

• Formula: C76 H60 Au2 N8 O8 P4 U
• Calculated formula: C76 H60 Au2 N8 O8 P4 U
• SMILES: c1(ccccc1)P(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.O=[U]12([N]#C[Au]C#N)([N]#C[Au]C#N)(=O)([O]=N(=O)O1)[O]=N(=O)O2.c1(ccccc1)P(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Dicyanoaurate-based heterobimetallic uranyl coordination polymers.
• Authors of publication: Brown, Matthew L.; Ovens, Jeffrey S.; Leznoff, Daniel B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• a: 10.7013 ± 0.0006 Å
• b: 13.3921 ± 0.0008 Å
• c: 14.0367 ± 0.0009 Å
• α: 113.946 ± 0.003°
• β: 101.917 ± 0.003°
• γ: 93.446 ± 0.003°
• Cell volume: 1775.42 ± 0.19 ų
• Cell temperature: 149.98 K
• Ambient diffraction temperature: 149.98 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No