Information card for entry 7015116

Structure parameters

• Formula: C32 H64 Cl4 Co2 Mo6 N8 O19
• Calculated formula: C32 H64 Cl4 Co2 Mo6 N8 O19
• SMILES: C1C[N]2=C(CC([NH]3CC[N]4=C(CC([NH]1[Co]234(Cl)Cl)(C)C)C)(C)C)C.O=[Mo]1234O[Mo]567([O]89%102[Mo]2(O1)(=O)(O[Mo]18(=O)(O[Mo]9(O4)(O[Mo]%10(=O)(O1)(O5)O2)(=O)O6)O3)O7)=O.C1C[N]2=C(CC([NH]3CC[N]4=C(CC([NH]1[Co]234(Cl)Cl)(C)C)C)(C)C)C
• Title of publication: Bringing an important macrocycle into a polyoxometalate matrix: synthesis, crystal structure, spectroscopy and electrochemistry of [Co(III)(transdiene)(Cl)2]2[Mo6O19], [Ni(II)(transdiene)][W6O19]·DMSO·DCM and [Zn(II)(transdsiene)(Cl)]2[W6O19].
• Authors of publication: Sarma, Monima; Chatterjee, Tanmay; Das, Samar K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2954 - 2966
• a: 10.7302 ± 0.0008 Å
• b: 11.3642 ± 0.0008 Å
• c: 11.7568 ± 0.0009 Å
• α: 107.918 ± 0.001°
• β: 101.754 ± 0.001°
• γ: 95.45 ± 0.001°
• Cell volume: 1316.23 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No