Information card for entry 7003936

Structure parameters

• Formula: C57 H120 Nb2 O19 Sr2
• Calculated formula: C57 H117 Nb2 O19 Sr2
• SMILES: [Sr]1234(OC(=CC(=[O]3)C(C)(C)C)C(C)(C)C)([O]3(CC)[Sr]567(OC(=CC(=[O]6)C(C)(C)C)C(C)(C)C)([O]1[Nb]1(OCC)(OCC)([O]7CC)OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C)([O]2(CC)[Nb]3([O]5CC)([O]4CC)(OCC)OCC)OCC)(OCC)OCC
• 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: 13.984 ± 0.018 Å
• b: 27.98 ± 0.03 Å
• c: 20.93 ± 0.03 Å
• α: 90°
• β: 101.08 ± 0.04°
• γ: 90°
• Cell volume: 8037 ± 18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1998
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No