Information card for entry 7219871

Structure parameters

• Formula: C12 H24 Cl2 Cu N4 O18 Sr2
• Calculated formula: C12 H24 Cl2 Cu N4 O18 Sr2
• SMILES: O.O.O.O.[Cu]12([n]3ccnc(c3C(=O)O1)C(=O)[O-])([n]1ccnc(c1C(O2)=O)C(=O)[O-])(Cl)Cl.O.O.O.O.O.O.[Sr+2].[Sr+2]
• Title of publication: Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties
• Authors of publication: Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 3312
• a: 6.5961 ± 0.0005 Å
• b: 7.7866 ± 0.0006 Å
• c: 13.4353 ± 0.0011 Å
• α: 83.405 ± 0.001°
• β: 80.961 ± 0.001°
• γ: 81.545 ± 0.001°
• Cell volume: 671.1 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0341
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No