Crystallography Open Database

Information card for entry 7212791

Preview

Coordinates	7212791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 N4 Ni O14
Calculated formula	C38 H42 N4 Ni 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	18.693 ± 0.003 Å
b	10.1161 ± 0.0019 Å
c	20.355 ± 0.004 Å
α	90°
β	97.326 ± 0.003°
γ	90°
Cell volume	3817.7 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1492
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7212791.cif
93280	2014-01-12	cif/ Adding structures of 7212791, 7212792, 7212793, 7212794, 7212795, 7212796 via cif-deposit CGI script.	7212791.cif