Crystallography Open Database

Information card for entry 7218450

Preview

Coordinates	7218450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 Cd3 N8 O18
Calculated formula	C54 H46 Cd3 N8 O18
Title of publication	The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands
Authors of publication	Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	48
Pages of publication	11088
a	10.0418 ± 0.0012 Å
b	9.7038 ± 0.0012 Å
c	26.051 ± 0.003 Å
α	90°
β	95.109 ± 0.002°
γ	90°
Cell volume	2528.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0893
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
180515 (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 7/21/84.	7218450.cif
128351	2014-12-06	cif/ Updating files of 7218446, 7218447, 7218448, 7218449, 7218450 Original log message: Adding full bibliography for 7218446--7218450.cif.	7218450.cif
125336	2014-10-15	cif/ Adding structures of 7218446, 7218447, 7218448, 7218449, 7218450 via cif-deposit CGI script.	7218450.cif