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Information card for entry 7223922
Preview
Coordinates | 7223922.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H28 N10 Ni O10 |
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Calculated formula | C16 H28 N10 Ni O10 |
SMILES | c1n(cc[n]1[Ni]([OH2])([n]1cn(cc1)Cc1cn(CC(=O)[O-])nn1)([OH2])([OH2])[OH2])Cc1nnn(c1)CC(=O)[O-].O.O |
Title of publication | Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand |
Authors of publication | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 8 |
Pages of publication | 1350 |
a | 7.7318 ± 0.0015 Å |
b | 8.9961 ± 0.0018 Å |
c | 9.1815 ± 0.0018 Å |
α | 94.4 ± 0.03° |
β | 107.22 ± 0.03° |
γ | 95.01 ± 0.03° |
Cell volume | 604.1 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0595 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.1042 |
Weighted residual factors for all reflections included in the refinement | 0.1105 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
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/7223922.html
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