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Information card for entry 7203284
Preview
| Coordinates | 7203284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H40 N12 Ni O7 |
|---|---|
| Calculated formula | C50 H34 N12 Ni O7 |
| Title of publication | Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole |
| Authors of publication | Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming |
| Journal of publication | CrystEngComm |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 3 |
| Pages of publication | 281 |
| a | 12.1901 ± 0.0002 Å |
| b | 28.2433 ± 0.0004 Å |
| c | 14.47 Å |
| α | 90° |
| β | 92.304 ± 0.001° |
| γ | 90° |
| Cell volume | 4977.83 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1515 |
| Residual factor for significantly intense reflections | 0.1049 |
| Weighted residual factors for significantly intense reflections | 0.1843 |
| Weighted residual factors for all reflections included in the refinement | 0.2101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.321 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180363 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/32. |
7203284.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203284.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203284.cif |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
7203284.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7203284.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203284.cif |
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Users of the data should acknowledge the original authors of the
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