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Information card for entry 7039731
Preview
Coordinates | 7039731.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C156 H152 Cu3 Mn4 N18 O20 |
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Calculated formula | C156 H152 Cu3 Mn4 N18 O20 |
SMILES | C(=O)(C)[O]1[Cu]23([n]4cccc5ccc6c([n]2ccc6)c45)[O]=C(C2=CN(C(=[Mn]4567(C#[O])(C#[O])[cH]8[cH]4[cH]5[cH]6[cH]78)N2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)O[Cu]241([O](C(=O)C)[Cu]1([n]5cccc6ccc7ccc[n]1c7c56)([O]=C(C1=CN(C(=[Mn]5678(C#[O])(C#[O])[cH]9[cH]5[cH]6[cH]7[cH]89)N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)O2)OC(C1=CN(C(=[Mn]2567(C#[O])(C#[O])[cH]8[cH]2[cH]5[cH]6[cH]78)N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[O]4)[O]=C(O3)C1=CN(C(=[Mn]2345(C#[O])(C#[O])[cH]6[cH]2[cH]3[cH]4[cH]56)N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC |
Title of publication | Post-coordination backbone functionalization of an imidazol-2-ylidene and its application to synthesize heteropolymetallic complexes incorporating the ambidentate IMes(CO2(-)) ligand. |
Authors of publication | Valyaev, Dmitry A.; Uvarova, Marina A.; Grineva, Alina A.; César, Vincent; Nefedov, Sergei N.; Lugan, Noël |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 30 |
Pages of publication | 11953 - 11957 |
a | 13.3188 ± 0.0008 Å |
b | 16.5533 ± 0.0009 Å |
c | 17.9688 ± 0.0011 Å |
α | 104.502 ± 0.002° |
β | 102.667 ± 0.002° |
γ | 101.546 ± 0.002° |
Cell volume | 3603 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1027 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1232 |
Weighted residual factors for all reflections included in the refinement | 0.1484 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation probe | x-ray |
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/7039731.html
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