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Information card for entry 7205973
Preview
Coordinates | 7205973.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H44 Cl N5 Ni2 O13 |
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Calculated formula | C45 H44 Cl N5 Ni2 O13 |
SMILES | COc1cccc2c1O[Ni]13[N](c4c(cccc4)[N]1=C2)=Cc1cccc(c1O3)OC.COc1cccc2c1O[Ni]13Oc4c(C=[N]3c3c(cccc3)[N]1=C2)cccc4OC.CO.Cl(=O)(=O)(=O)[O-].[NH4+] |
Title of publication | Co-crystallization of coordination compounds through second-coordination sphere interactions |
Authors of publication | Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 11 |
Pages of publication | 3756 |
a | 13.7451 ± 0.0005 Å |
b | 14.0632 ± 0.0005 Å |
c | 22.8343 ± 0.0009 Å |
α | 90° |
β | 95.607 ± 0.003° |
γ | 90° |
Cell volume | 4392.8 ± 0.3 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 | 0.0755 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.0971 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7205973.html
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