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Information card for entry 7015116
Preview
Coordinates | 7015116.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H64 Cl4 Co2 Mo6 N8 O19 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7015116.html
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