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Information card for entry 7219872
Preview
Coordinates | 7219872.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H24 Ba2 Cl2 Co N4 O18 |
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Calculated formula | C12 H24 Ba2 Cl2 Co N4 O18 |
SMILES | c1[n]2[Co]3(OC(c2c(C(=O)[O-])nc1)=O)([OH2])([n]1ccnc(c1C(=O)O3)C(=O)[O-])[OH2].O.O.O.O.[Cl-].O.O.O.O.[Ba+2].[Ba+2].[Cl-] |
Title of publication | Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties |
Authors of publication | Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping |
Journal of publication | CrystEngComm |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 17 |
Pages of publication | 3312 |
a | 6.6953 ± 0.0004 Å |
b | 7.6428 ± 0.0005 Å |
c | 14.0935 ± 0.0008 Å |
α | 96.583 ± 0.001° |
β | 95.129 ± 0.001° |
γ | 96.171 ± 0.001° |
Cell volume | 708.48 ± 0.07 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0197 |
Residual factor for significantly intense reflections | 0.019 |
Weighted residual factors for significantly intense reflections | 0.0468 |
Weighted residual factors for all reflections included in the refinement | 0.0472 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/7219872.html
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