Information card for entry 7003935

Structure parameters

• Formula: C64 H128 O18 Sr2 Zr2
• Calculated formula: C64 H126 O18 Sr2 Zr2
• SMILES: [Sr]123(OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C)([O]([Zr]14([O](CC)[Sr]5(OC(=CC(=[O]5)C(C)(C)C)C(C)(C)C)([O]1CC)([O]([Zr]1([O]2CC)([O]3CC)(OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C)OCC)CC)[OH]CC)(OC(=CC(=[O]4)C(C)(C)C)C(C)(C)C)OCC)CC)[OH]CC
• Title of publication: Heteroleptic metal alkoxide “oxoclusters” as molecular models for the sol‒gel synthesis of perovskite nanoparticles for bio-imaging applications
• Authors of publication: Seisenbaeva, Gulaim A.; Kessler, Vadim G.; Pazik, Robert; Strek, Wieslaw
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3412 - 3421
• a: 10.175 ± 0.006 Å
• b: 14.689 ± 0.008 Å
• c: 15.938 ± 0.008 Å
• α: 102.137 ± 0.012°
• β: 103.004 ± 0.012°
• γ: 108.985 ± 0.011°
• Cell volume: 2088 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2255
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.2402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No