Crystallography Open Database

Information card for entry 7212794

Preview

Coordinates	7212794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 Cl6 Hg3 N6 O14
Calculated formula	C54 H42 Cl6 Hg3 N6 O14
Title of publication	Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands
Authors of publication	Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4356
a	25.323 ± 0.004 Å
b	4.8988 ± 0.0008 Å
c	33.3 ± 0.004 Å
α	90°
β	120°
γ	90°
Cell volume	3577.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1584
Residual factor for significantly intense reflections	0.0992
Weighted residual factors for significantly intense reflections	0.2657
Weighted residual factors for all reflections included in the refinement	0.307
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180458 (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 7/21/27.	7212794.cif
93280	2014-01-12	cif/ Adding structures of 7212791, 7212792, 7212793, 7212794, 7212795, 7212796 via cif-deposit CGI script.	7212794.cif