Crystallography Open Database

Information card for entry 7218191

Preview

Coordinates	7218191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H70 Cd3 Cl2 N12 O12
Calculated formula	C76 H70 Cd3 Cl2 N12 O12
Title of publication	Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties
Authors of publication	Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	46
Pages of publication	10658
a	9.3381 ± 0.0005 Å
b	25.7913 ± 0.0012 Å
c	15.3127 ± 0.0006 Å
α	90°
β	95.891 ± 0.004°
γ	90°
Cell volume	3668.5 ± 0.3 Å³
Cell temperature	121.3 ± 0.1 K
Ambient diffraction temperature	121.3 ± 0.1 K
Number of distinct elements	6
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	0.0786
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180512 (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 7/21/81.	7218191.cif
126341	2014-11-06	cif/ Updating files of 7218186, 7218187, 7218188, 7218189, 7218190, 7218191, 7218192, 7218193 Original log message: Adding full bibliography for 7218186--7218193.cif.	7218191.cif
124087	2014-09-23	cif/ Adding structures of 7218186, 7218187, 7218188, 7218189, 7218190, 7218191, 7218192, 7218193 via cif-deposit CGI script.	7218191.cif