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Information card for entry 4507161
Preview
Coordinates | 4507161.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H56 N14 Ni2 O11 |
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Calculated formula | C50 H56 N14 Ni2 O11 |
SMILES | [Ni]1234(OC(=O)[C@@H]([NH]1Cc1ccc(cc1)c1cc5[n]6[Ni]7(OC(=O)[C@@H]([NH]7Cc7ccc(cc7)c7cc([n]3c(c7)c3[n]4cccc3)c3[n]2cccc3)C)([n]2c5cccc2)([n]2c(c6c1)cccc2)N=N#N)C)N=N#N.O.O.O.O.O.O.O |
Title of publication | Chiral Metallocycles Templated Novel Chiral Water Frameworks |
Authors of publication | Wu, Benlai; Wang, Song; Wang, Ruiying; Xu, Jinxia; Yuan, Daqiang; Hou, Hongwei |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 518 |
a | 8.0276 ± 0.0007 Å |
b | 10.9031 ± 0.0008 Å |
c | 16.9025 ± 0.0013 Å |
α | 71.996 ± 0.007° |
β | 82.528 ± 0.006° |
γ | 87.128 ± 0.006° |
Cell volume | 1394.9 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0762 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.1823 |
Weighted residual factors for all reflections included in the refinement | 0.1943 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4507161.html
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Users of the data should acknowledge the original authors of the
structural data.