Information card for entry 7220160

Structure parameters

• Formula: C60 H96 F4 Mo8 N12 O40
• Calculated formula: C60 H76 F4 Mo8 N12 O40
• SMILES: c1(c2cc(c(cc2n(cc1)CC)N1CC[NH2+]CC1)F)=[O][Mo]12(O[Mo]34([O]56[Mo]789(O[Mo]%10%11([O]2[Mo]26(O[Mo]5([O]8[Mo]5([O]7[Mo]([O]9%102)(O%11)(=O)(=O)O5)(=O)(=O)[O]=c2ccn(c5c2cc(c(c5)N2CC[NH2+]CC2)F)CC)(=O)(=O)O3)(=O)[O]14)(=O)=O)=O)(=O)=O)(=O)=O.Fc1cc2c(=O)ccn(c2cc1N1CC[NH2+]CC1)CC.O.O.O.O.O.Fc1cc2c(=O)ccn(c2cc1N1CC[NH2+]CC1)CC.O.O.O.O.O
• Title of publication: Norfloxacin-derivative Functionalized Octamolybdate: Unusual Carbonyl Coordination and Acidity Sensitive Luminescence
• Authors of publication: Liu, Hong; Chai, Dong-Feng; Zou, Yu-Long; Zhou, Shu-Jing; Wang, Wei; Shen, De-Feng; Qu, Yan-Yan; Gao, Guang-Gang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.5529 ± 0.0006 Å
• b: 14.295 ± 0.0007 Å
• c: 14.7162 ± 0.0007 Å
• α: 80.182 ± 0.004°
• β: 71.327 ± 0.005°
• γ: 69.012 ± 0.005°
• Cell volume: 2145.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No