Information card for entry 7029510

Structure parameters

• Formula: C41 H90 I8 Mo6 N8 O21
• Calculated formula: C32 H72 I8 Mo6 N8 O18
• SMILES: [I]12[Mo]345678([I]9[Mo]%10%11%12%13%146([I]6[Mo]%15%16%17%18%19%12([I]%12[Mo]%20%2115%17([I]%15[Mo]79%136%18%21([I]4%20)ON(=O)=O)([Mo]28%14%19%12([I]3%10)([I]%11%16)ON(=O)=O)ON(=O)=O)ON(=O)=O)ON(=O)=O)ON(=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A highly emissive inorganic hexamolybdenum cluster complex as a handy precursor for the preparation of new luminescent materials.
• Authors of publication: Efremova, O. A.; Shestopalov, M. A.; Chirtsova, N. A.; Smolentsev, A. I.; Mironov, Y. V.; Kitamura, N.; Brylev, K. A.; Sutherland, A. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6021 - 6025
• a: 14.5949 ± 0.0004 Å
• b: 11.4521 ± 0.0003 Å
• c: 22.3086 ± 0.0005 Å
• α: 90°
• β: 95.835 ± 0.001°
• γ: 90°
• Cell volume: 3709.39 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No