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Information card for entry 4510240
Preview
| Coordinates | 4510240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H71 Fe3 N4 O30.5 |
|---|---|
| Calculated formula | C46 H42 Fe3 N4 O30.5 |
| Title of publication | Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties |
| Authors of publication | Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 2307 |
| a | 24.104 ± 0.002 Å |
| b | 13.054 ± 0.0009 Å |
| c | 21.009 ± 0.0016 Å |
| α | 90° |
| β | 124.662 ± 0.01° |
| γ | 90° |
| Cell volume | 5437.3 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1181 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1339 |
| Weighted residual factors for all reflections included in the refinement | 0.1555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4510240.cif |
| 115652 | 2014-06-05 | cif/ Updating files of 4510236, 4510237, 4510238, 4510239, 4510240, 4510241, 4510242, 4510243, 4510244, 4510245 Original log message: Adding full bibliography for 4510236--4510245.cif. |
4510240.cif |
| 108431 | 2014-04-02 | cif/ Adding structures of 4510236, 4510237, 4510238, 4510239, 4510240, 4510241, 4510242, 4510243, 4510244, 4510245 via cif-deposit CGI script. |
4510240.cif |
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Users of the data should acknowledge the original authors of the
structural data.