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Information card for entry 4082375
Preview
Coordinates | 4082375.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H40 Cl2 Co2 N4 O4 |
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Calculated formula | C38 H40 Cl2 Co2 N4 O4 |
SMILES | C1=[N]2CC[N]3[Co]42([O](c2ccc(cc12)C)[Co]125([N](=Cc6c(ccc(c6)C)[O]42)CC[N]1=Cc1cc(ccc1O5)C)CCl)(Oc1c(C=3)cc(C)cc1)CCl |
Title of publication | A Novel Series of CoIII(salen-type) Complexes Containing a Seven-Membered Metallacycle: Synthesis, Structural Characterization and Factors Affecting the Metallacyclization Rate |
Authors of publication | Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Zangrando, Ennio; Tavagnacco, Claudio; Vrdoljak, Višnja; Hrenar, Tomica |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 4 |
Pages of publication | 909 |
a | 10.932 ± 0.002 Å |
b | 12.407 ± 0.002 Å |
c | 13.125 ± 0.0013 Å |
α | 90° |
β | 103.917 ± 0.012° |
γ | 90° |
Cell volume | 1727.9 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0765 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for significantly intense reflections | 0.1772 |
Weighted residual factors for all reflections included in the refinement | 0.186 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178712 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/23. |
4082375.cif |
104388 | 2014-03-11 | cif/ Adding structures of 4082375, 4082376, 4082377 via cif-deposit CGI script. |
4082375.cif |
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Users of the data should acknowledge the original authors of the
structural data.