Information card for entry 7039120

Structure parameters

• Formula: C60 H84 Cl0.5 Cu4 Mo3 N36 O40.5
• Calculated formula: C60 H84 Cl0.5 Cu4 Mo3 N36 O40.5
• Title of publication: A high-nuclearity metal-cyanide cluster [Mo6Cu14] with photomagnetic properties.
• Authors of publication: Bridonneau, N.; Chamoreau, L.-M.; Gontard, G.; Cantin, J.-L.; von Bardeleben, J.; Marvaud, V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9412 - 9418
• a: 33.5532 ± 0.0015 Å
• b: 16.9349 ± 0.0007 Å
• c: 27.2581 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15488.6 ± 1.1 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 7
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.2902
• Weighted residual factors for all reflections included in the refinement: 0.3113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No