Crystallography Open Database

Information card for entry 4508147

Preview

Coordinates	4508147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H62 Cd4 N18 O14
Calculated formula	C58 H48 Cd4 N18 O14
Title of publication	Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand
Authors of publication	Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	10
Pages of publication	4305
a	13.5699 ± 0.0014 Å
b	12.2549 ± 0.0013 Å
c	38.232 ± 0.004 Å
α	90°
β	97.443 ± 0.001°
γ	90°
Cell volume	6304.3 ± 1.1 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	0.09
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
179617 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/81.	4508147.cif
88838	2013-10-09	cif/ Adding structures of 4508147 via cif-deposit CGI script.	4508147.cif