Information card for entry 7013569

Structure parameters

• Common name: (Mo2(DaniF)2(p-O2CCH(CH3)OC6H4OCH(CH3)CO2)2,4CH2Cl2
• Formula: C88 H92 Cl8 Mo4 N8 O20
• Calculated formula: C88 H92 Cl8 Mo4 N8 O20
• Title of publication: A molecular loop with interstitial channels in a chiral environment: exploration of the chemistry of Mo24+ species with chiral and non-chiral dicarboxylate anions
• Authors of publication: Berry, John F.; Cotton, F. Albert; Ibragimov, Sergey A.; Murillo, Carlos A.; Wang, Xiaoping
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 4297
• a: 13.97 ± 0.003 Å
• b: 20.45 ± 0.005 Å
• c: 37.216 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10632 ± 4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No