Information card for entry 7039119

Structure parameters

• Formula: C133.6 H338 Cl2 Cu14 Mo6 N90.8 O80.8
• Calculated formula: C133.6 H196.2 Cl2 Cu14 Mo6 N90.8 O76.8
• 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: 19.1825 ± 0.001 Å
• b: 19.3041 ± 0.001 Å
• c: 19.3498 ± 0.001 Å
• α: 76.569 ± 0.003°
• β: 75.823 ± 0.003°
• γ: 75.935 ± 0.003°
• Cell volume: 6624.1 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2529
• Weighted residual factors for all reflections included in the refinement: 0.2688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No