Information card for entry 4309287

Structure parameters

• Formula: C14 H22 N4 O12 Sr
• Calculated formula: C14 H22 N4 O12 Sr
• SMILES: C(n1c[n+](cc1)CC(=O)[O-])C(=O)[O-].O.O.[Sr+2].C(=O)(Cn1c[n+](cc1)CC(=O)[O-])[O-].O.O
• Title of publication: A Nearly Planar Water Sheet Sandwiched between Strontium-Imidazolium Carboxylate Coordination Polymers
• Authors of publication: Zhaofu Fei; Tilmann J. Geldbach; Dongbin Zhao; Rosario Scopelliti; Paul J. Dyson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5200 - 5202
• a: 14.545 ± 0.003 Å
• b: 8.514 ± 0.005 Å
• c: 8.5619 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1060.3 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 27
• Hermann-Mauguin space group symbol: P c c 2
• Hall space group symbol: P 2 -2c
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No