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Information card for entry 2230836
Preview
Coordinates | 2230836.cif |
---|---|
Structure factors | 2230836.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-indole-2- carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium‒2,2'-bipyridine‒water (1/0.5/2) |
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Formula | C86 H72 Cd2 N14 O12 |
Calculated formula | C86 H72 Cd2 N14 O12 |
SMILES | c1cccc2c3[n]([Cd]45([n]12)([n]1ccccc1c1[n]4cccc1)(OC(=O)c1[nH]c2c(c1)cccc2)[O]=C(O5)c1[nH]c2c(c1)cccc2)cccc3.n1ccccc1c1ncccc1.O.O.c1cccc2c3cccc[n]3[Cd]34([n]12)([n]1ccccc1c1[n]3cccc1)(OC(=O)c1[nH]c2c(c1)cccc2)[O]=C(O4)c1[nH]c2c(c1)cccc2.O.O |
Title of publication | Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-indole-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium‒2,2'-bipyridine‒water (1/0.5/2) |
Authors of publication | Li, Yun-Xia; Zhang, Bi-Song; Zheng, Miao |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m879 - m880 |
a | 11.513 ± 0.002 Å |
b | 12.945 ± 0.003 Å |
c | 14.302 ± 0.003 Å |
α | 114.95 ± 0.03° |
β | 94.27 ± 0.03° |
γ | 93.84 ± 0.03° |
Cell volume | 1915.8 ± 0.9 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 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 | 0.0964 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.0678 |
Weighted residual factors for all reflections included in the refinement | 0.1057 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
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/2230836.html
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