Information card for entry 7038278

Structure parameters

• Formula: C52 H52 Cu2 N10 Na2 O16
• Calculated formula: C52 H52 Cu2 N10 Na2 O16
• SMILES: c1ccnc2[n]1[Cu]1(OC(=O)CCc3ccccc3)([n]3c2nccc3)[O]([Cu]2([n]3c(c4[n]2cccn4)nccc3)(OC(=O)CCc2ccccc2)[O]1C(=O)CCc1ccccc1)C(=O)CCc1ccccc1.[Na+].[O-]N(=O)=O.N([O-])(=O)=O.[Na+].O.O
• Title of publication: Magneto-structural versatility of copper(ii)-3-phenylpropionate coordination polymers with N-donor coligands.
• Authors of publication: de Campos, Nathália R; Ribeiro, Marcos A.; Oliveira, Willian X. C.; Reis, Daniella O.; Stumpf, Humberto O.; Doriguetto, Antônio C; Machado, Flávia C; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Cano, Joan; Marinho, Maria V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 172 - 189
• a: 10.024 ± 0.005 Å
• b: 10.824 ± 0.005 Å
• c: 12.846 ± 0.005 Å
• α: 97.185 ± 0.005°
• β: 90.782 ± 0.005°
• γ: 104.175 ± 0.005°
• Cell volume: 1339.3 ± 1 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 all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No