Information card for entry 4340099

Structure parameters

• Formula: C15 H15 N Na2 O9
• Calculated formula: C15 H15 N Na2 O9
• SMILES: C(=O)(c1c[n+](cc(c1)C(=O)[O-])Cc1ccc(cc1)C(=O)[O-])[O-].O.[Na+].[Na+].O.O
• Title of publication: Transmetalation of a Dodecahedral Na9 Aggregate-Based Polymer: A Facile Route to Water Stable Cu(II) Coordination Networks.
• Authors of publication: Chen, Jin-Xiang; Chen, Ming; Ding, Ni-Ni; Chen, Wen-Hua; Zhang, Wen-Hua; Hor, T. S. Andy; Young, David J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7446 - 7454
• a: 20.552 ± 0.0012 Å
• b: 20.552 ± 0.0012 Å
• c: 23.4904 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8592.7 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2567
• Weighted residual factors for all reflections included in the refinement: 0.2621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No