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Information card for entry 2015615
Preview
Coordinates | 2015615.cif |
---|---|
Structure factors | 2015615.hkl |
Original IUCr paper | HTML |
Chemical name | Diaquabis[2'-(4,5-diazafluoren-9-ylidene)picolinohydrazidato-κ^2^N,O)zinc(II) tetrahydrate |
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Formula | C34 H32 N10 O8 Zn |
Calculated formula | C34 H32 N10 O8 Zn |
SMILES | [Zn]12([n]3ccccc3C(O1)=NN=C1c3cccnc3c3ncccc13)([n]3ccccc3C(O2)=NN=C1c2cccnc2c2ncccc12)([OH2])[OH2].O.O.O.O |
Title of publication | Diaquabis[2'-(4,5-diazafluoren-9-ylidene)picolinohydrazidato-κ^2^<i>N</i>,<i>O</i>]zinc(II) tetrahydrate: a metal‒water chain complex containing cyclic water hexamers |
Authors of publication | Zhi-Feng Li; Chun-Xiang Wang; Chen-Xia Du |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 10 |
Pages of publication | m488 - m490 |
a | 7.931 ± 0.0016 Å |
b | 10.34 ± 0.002 Å |
c | 11.734 ± 0.002 Å |
α | 74.87 ± 0.03° |
β | 75.64 ± 0.03° |
γ | 68.06 ± 0.03° |
Cell volume | 849.4 ± 0.3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0695 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for significantly intense reflections | 0.1094 |
Weighted residual factors for all reflections included in the refinement | 0.1179 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
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/2015615.html
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Users of the data should acknowledge the original authors of the
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