Information card for entry 2105873

Structure parameters

• Formula: C30 H34 Ba N2 O6 P2
• Calculated formula: C30 H34 Ba N2 O6 P2
• SMILES: C(=O)N(C)C.c1(ccccc1)P(=O)([O-])c1ccccc1.[Ba+2].C(=O)N(C)C.c1(ccccc1)P(=O)([O-])c1ccccc1
• Title of publication: Linear alkaline earth metal phosphinate coordination polymers: synthesis and structural characterization
• Authors of publication: Rood, Jeffrey A.; Huttenstine, Ashley L.; Schmidt, Zachery A.; White, Michael R.; Oliver, Allen G.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: 602 - 607
• a: 9.6068 ± 0.0007 Å
• b: 6.0118 ± 0.0004 Å
• c: 26.6405 ± 0.0019 Å
• α: 90°
• β: 98.033 ± 0.001°
• γ: 90°
• Cell volume: 1523.5 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes