Information card for entry 7003937

Structure parameters

• Formula: C69 H144 Nb2 O19 Sr2
• Calculated formula: C69 H141 Nb2 O19 Sr2
• SMILES: [Nb]12([O](CCC)[Sr]3456(OC(=CC(=[O]6)C(C)(C)C)C(C)(C)C)([O](CCC)[Nb]67([O](CCC)[Sr]8(OC(=CC(=[O]8)C(C)(C)C)C(C)(C)C)([O]15)([O]CCC)([O]36CCC)([O]47CCC)[O]CCC)(OCCC)OCCC)OCCC)([O]=C(C=C(O2)C(C)(C)C)C(C)(C)C)(OCCC)OCCC
• 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: 26.3531 ± 0.0012 Å
• b: 25.065 ± 0.009 Å
• c: 27.523 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18180 ± 10 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2741
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No