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Information card for entry 7008121
Preview
Coordinates | 7008121.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H55 Mo2 N6 O S5 |
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Calculated formula | C43 H55 Mo2 N6 O S5 |
SMILES | [Mo]1234([Mo]56([S]=C(S5)N(CCC)CCC)(S2)([N]3(C(=O)[N]46c2ccc(cc2)C)c2ccc(cc2)C)=Nc2ccc(cc2)C)([S]=C(S1)N(CCC)CCC)=Nc1ccc(cc1)C |
Title of publication | Regioselective and reversible carbon-nitrogen bond formation: synthesis, structure and reactivity of ureato-bridged complexes [Mo2(NAr)2(mu-X){mu-ArNC(O)NAr}(S2CNR2)2](Ar = Ph, p-tol; X = S, NAr; R = Me, Et, Pr). |
Authors of publication | Hogarth, Graeme; Richards, Idris |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 4 |
Pages of publication | 760 - 773 |
a | 12.9948 ± 0.0009 Å |
b | 13.0247 ± 0.0009 Å |
c | 16.4809 ± 0.0011 Å |
α | 88.154 ± 0.001° |
β | 69.828 ± 0.001° |
γ | 65.095 ± 0.001° |
Cell volume | 2353.8 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0728 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.1102 |
Weighted residual factors for all reflections included in the refinement | 0.1226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/7008121.html
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Users of the data should acknowledge the original authors of the
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