Information card for entry 7710131

Structure parameters

• Formula: C84 H98 Cu4 Mo10 N18 O50 S4
• Calculated formula: C84 H91 Cu4 Mo10 N18 O50 S4
• Title of publication: Assembly of a coordination polymer with sulphate-capped pentamolybdate units and copper: synthesis, structure, magnetic and catalytic studies
• Authors of publication: Gupta, Yesleen; Zaidi, Zakiullah; Mehta, Sakshi; Chandewar, Pranay R.; Kumar, Nikhil; Paul, Avijit K.; Shee, Debaprasad; Mondal, Abhishake; Sorokhaibam, Laxmi Gayatri; Banerjee, Abhishek
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 23.1128 ± 0.0007 Å
• b: 12.9136 ± 0.0003 Å
• c: 38.9016 ± 0.0009 Å
• α: 90°
• β: 91.719 ± 0.002°
• γ: 90°
• Cell volume: 11605.7 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No