Crystallography Open Database

Information card for entry 7223202

Preview

Coordinates	7223202.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cd-TCA-DMF
Formula	C88 H72 Cd5 N6 O28
Calculated formula	C88 H72 Cd5 N6 O28
Title of publication	Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry
Authors of publication	Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo
Journal of publication	Green Chem.
Year of publication	2016
Journal volume	18
Journal issue	4
Pages of publication	951
a	14.6261 ± 0.0006 Å
b	23.2526 ± 0.0009 Å
c	15.7357 ± 0.0007 Å
α	90°
β	107.099 ± 0.002°
γ	90°
Cell volume	5115.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1717
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177879 (current)	2016-03-05	cif/ Updating files of 7223202, 7223203, 7223204, 7223205 Original log message: Adding full bibliography for 7223202--7223205.cif.	7223202.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7223202.cif
170255	2015-11-12	cif/ Adding structures of 7223202, 7223203, 7223204, 7223205 via cif-deposit CGI script.	7223202.cif