Information card for entry 7206160

Structure parameters

• Common name: bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato-O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4)
• Chemical name: bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato- O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4)
• Formula: C46 H66 Mo8 N8 O33
• Calculated formula: C46 H66 Mo8 N8 O33
• SMILES: C1(=N[N]2[Mo](O1)(=O)(=O)([OH2])Oc1c(C=2)ccc(N(CC)CC)c1)c1cc[nH+]cc1.O=C(C)C.O=C(C)C.O1[Mo]234([O]5678[Mo]9%10(O2)(O[Mo]217(O[Mo]15(O[Mo]6(O[Mo]8(O1)(O9)(=O)O3)(O2)(O%10)=O)(=O)O4)=O)=O)=O.C1(=N[N]2=Cc3c(O[Mo]2(O1)(=O)(=O)[OH2])cc(N(CC)CC)cc3)c1cc[nH+]cc1.O=C(C)C.O=C(C)C
• Title of publication: Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes
• Authors of publication: Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4382
• a: 10.257 ± 0.0002 Å
• b: 10.4104 ± 0.0002 Å
• c: 15.5335 ± 0.0003 Å
• α: 91.935 ± 0.001°
• β: 97.17 ± 0.002°
• γ: 95.19 ± 0.001°
• Cell volume: 1637.24 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0209
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No