Information card for entry 7055501

Structure parameters

• Formula: C40 H52 Cu2 N8 O24 P4
• Calculated formula: C40 H52 Cu2 N8 O24 P4
• SMILES: C(C)OP1(c2cc3c4[n](c2)[Cu]([n]2c4c(cc3)cc(P(=O)(OCC)OCC)c2)([O]=P(c2c[n]3c4c(c2)ccc2c4[n](cc(P(=O)(OCC)OCC)c2)[Cu]3([O]=1)(ON(=O)=O)ON(=O)=O)(OCC)OCC)(ON(=O)=O)ON(=O)=O)OCC
• Title of publication: Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays
• Authors of publication: Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 5896
• a: 7.7003 ± 0.0006 Å
• b: 9.8407 ± 0.0008 Å
• c: 17.8602 ± 0.0016 Å
• α: 105.813 ± 0.002°
• β: 92.591 ± 0.003°
• γ: 90.967 ± 0.002°
• Cell volume: 1300.23 ± 0.19 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.0471
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No