Information card for entry 7015072

Structure parameters

• Formula: C16 H28 Mo8 N8 O30
• Calculated formula: C16 H20 Mo8 N8 O30
• SMILES: c1[n](c[nH][n+]1Cc1c[nH+]ccc1)[Mo]12(O[Mo]34([O]56[Mo]78([O]1[Mo]19([O]%108[Mo]85(O1)(=O)[O]([Mo]6(=O)(=O)(O7)O4)[Mo]1([n]4cn(Cc5c[nH+]ccc5)[nH+]c4)(O[Mo]%10(O9)(=O)(=O)[O]81)(=O)=O)(=O)=O)(=O)[O]23)(=O)=O)(=O)=O.O.O.O.O
• Title of publication: Step-wise synthesis of inorganic-organic hybrid based on γ-octamolybdate-based tectons.
• Authors of publication: Zang, Hong-Ying; Lan, Ya-Qian; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Wang, Xin-Long; Yan, Li-Kai; Su, Zhong-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 13
• Pages of publication: 3176 - 3182
• a: 10.171 ± 0.0014 Å
• b: 10.66 ± 0.0015 Å
• c: 10.998 ± 0.0015 Å
• α: 102.647 ± 0.002°
• β: 113.809 ± 0.002°
• γ: 108.044 ± 0.002°
• Cell volume: 952.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No