Information card for entry 7219878

Structure parameters

• Formula: C12 H24 Cl2 N4 Ni O18 Sr2
• Calculated formula: C12 H24 Cl2 N4 Ni O18 Sr2
• SMILES: c1[n]2[Ni]3(OC(c2c(C(=O)[O-])nc1)=O)([OH2])([n]1ccnc(c1C(=O)O3)C(=O)[O-])[OH2].O.O.O.O.[Cl-].O.O.O.O.[Cl-].[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: 6.6133 ± 0.0015 Å
• b: 7.6512 ± 0.0017 Å
• c: 13.778 ± 0.003 Å
• α: 96.312 ± 0.004°
• β: 95.186 ± 0.003°
• γ: 97.792 ± 0.004°
• Cell volume: 682.6 ± 0.3 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: 0.0473
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No