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Information card for entry 7216692
Preview
Coordinates | 7216692.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C105 H69 Cu3 N17 O32 |
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Calculated formula | C105 H69 Cu3 N17 O32 |
Title of publication | Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration |
Authors of publication | Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 33 |
Pages of publication | 7722 |
a | 13.9922 ± 0.0013 Å |
b | 15.9422 ± 0.0015 Å |
c | 16.2434 ± 0.0015 Å |
α | 70.832 ± 0.002° |
β | 69.321 ± 0.002° |
γ | 88.235 ± 0.002° |
Cell volume | 3187.1 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0896 |
Residual factor for significantly intense reflections | 0.0737 |
Weighted residual factors for significantly intense reflections | 0.2108 |
Weighted residual factors for all reflections included in the refinement | 0.2254 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180497 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/66. |
7216692.cif |
121612 | 2014-08-08 | cif/ Updating files of 7216690, 7216691, 7216692, 7216693 Original log message: Adding full bibliography for 7216690--7216693.cif. |
7216692.cif |
117852 | 2014-06-18 | cif/ Adding structures of 7216690, 7216691, 7216692, 7216693 via cif-deposit CGI script. |
7216692.cif |
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Users of the data should acknowledge the original authors of the
structural data.