Information card for entry 7700098

Structure parameters

• Formula: C30 H160 Co5 Mo22 N30 Na O94
• Calculated formula: C24 H96 Co4 Mo22 N24 O74
• SMILES: C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]3)[NH2]CC[NH2]2.C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O1[Mo]23(=O)([O]45[Mo]678(=O)O[Mo]9%10(O[Mo](=O)([O]27)(=O)([O]89[Mo]2(=O)([O]6[Mo]4(=O)(O[Mo]15(=O)=O)(=O)O2)(=O)O%10)O3)(=O)O[Mo]12(=O)([O]3[Mo]45(=O)(O[Mo]678([O]94[Mo]4(O[Mo](O[Mo]%10%11%12(O[Mo]%13%14([O]%15%10[Mo]%10(=O)([O]%16[Mo]%17(O[Mo]%18(=O)(=O)O[Mo]%19(=O)(=O)([O]%17%18[Mo]%15%16(=O)([O]%13%19)O%11)O%14)(=O)(=O)O%10)(O%12)=O)(=O)=O)=O)(=O)([O]64)([O]7[Mo]46(=O)(O[Mo]739([O]1[Mo](=O)(=O)(O2)(O4)[O]867)=O)=O)=O)(=O)(=O)O5)=O)=O)=O)=O.C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]3)[NH2]CC[NH2]2
• Title of publication: The synthesis, structure and catalytic properties of the [Mo₇O₂₄(μ-Mo₈O₂₆)Mo₇O₂₄]^16- anion formed via two intermediate heptamolybdates [Co(en)₃]₂[NaMo₇O₂₄]Cl·nH₂O and (H₃O)[Co(en)₃]₂[Mo₇O₂₄]Cl·9H₂O.
• Authors of publication: Damjanović, Vladimir; Pisk, Jana; Kuzman, Dino; Agustin, Dominique; Vrdoljak, Višnja; Stilinović, Vladimir; Cindrić, Marina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 9974 - 9983
• a: 13.1166 ± 0.0005 Å
• b: 15.9037 ± 0.0008 Å
• c: 18.8331 ± 0.0009 Å
• α: 114.783 ± 0.005°
• β: 100.36 ± 0.004°
• γ: 94.961 ± 0.004°
• Cell volume: 3450.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No