Information card for entry 7011457

Structure parameters

• Formula: C38 H53 N4 O8 Sr
• Calculated formula: C38 H53 N4 O8 Sr
• SMILES: [Sr]1234([O]=C(c5c(O1)n(nc5C)c1ccccc1)CC(C)(C)C)([O]=C(c1c(O2)n(nc1C)c1ccccc1)CC(C)(C)C)([OH]CC[O]3C)[OH]CC[O]4C
• Title of publication: A new family of ionic dinuclear strontium (imH2)2[Sr2(Q)6] compounds (imH = imidazole; QH = 1-phenyl-3-methyl-4-acylpyrazol-5-one)
• Authors of publication: Marchetti, Fabio; Pettinari, Claudio; Pettinari, Riccardo; Cingolani, Augusto; Drozdov, Andrei; Troyanov, Sergei
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2616
• a: 10.412 ± 0.003 Å
• b: 12.66 ± 0.003 Å
• c: 17.005 ± 0.005 Å
• α: 69.43 ± 0.03°
• β: 80.05 ± 0.03°
• γ: 74.83 ± 0.03°
• Cell volume: 2017.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1737
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.1181
• Weighted residual factors for significantly intense reflections: 0.0847
• Goodness-of-fit parameter for all reflections: 0.809
• Goodness-of-fit parameter for significantly intense reflections: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No