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Information card for entry 2231802
Preview
Coordinates | 2231802.cif |
---|---|
Structure factors | 2231802.hkl |
Original IUCr paper | HTML |
Chemical name | Aqua(dicyanamido-κ<i>N</i>^1^)(2,9-dimethyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)‒ 2,9-dimethyl-1,10-phenanthroline‒water (2/1/2) |
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Formula | C46 H44 Co2 N14 O10 |
Calculated formula | C46 H44 Co2 N14 O10 |
SMILES | c1(ccc2ccc3ccc([n]4c3c2[n]1[Co]14(N=C=NC#N)(ON(=[O]1)=O)[OH2])C)C.n1c(ccc2ccc3ccc(nc3c12)C)C.O.c1(ccc2ccc3ccc([n]4c3c2[n]1[Co]14(N=C=NC#N)(ON(=O)=[O]1)[OH2])C)C.O |
Title of publication | Aqua(dicyanamido-κ<i>N</i>^1^)(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)‒2,9-dimethyl-1,10-phenanthroline‒water (2/1/2) |
Authors of publication | Cui, Feng-Hua; Zhao, Pei-Zheng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 10 |
Pages of publication | m1341 - m1342 |
a | 17.993 ± 0.006 Å |
b | 11.77 ± 0.004 Å |
c | 23.428 ± 0.007 Å |
α | 90° |
β | 106.981 ± 0.004° |
γ | 90° |
Cell volume | 4745 ± 3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1049 |
Residual factor for significantly intense reflections | 0.0656 |
Weighted residual factors for significantly intense reflections | 0.1685 |
Weighted residual factors for all reflections included in the refinement | 0.1959 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2231802.html
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