Crystallography Open Database

Information card for entry 7006820

Preview

Coordinates	7006820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Cl2 F2 N6 O2 Zn
Calculated formula	C14 H16 Cl2 F2 N6 O2 Zn
Title of publication	A series of metal-organic polymers assembled from MCl2 (M = Zn, Cd, Co, Cu): structures, third-order nonlinear optical and fluorescent properties.
Authors of publication	Han, Huayun; Song, Yinglin; Hou, Hongwei; Fan, Yaoting; Zhu, Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	16
Pages of publication	1972 - 1980
a	8.1532 ± 0.0016 Å
b	10.396 ± 0.002 Å
c	12.492 ± 0.003 Å
α	99.87 ± 0.03°
β	106.06 ± 0.03°
γ	107.33 ± 0.03°
Cell volume	933.4 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179772 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/68.	7006820.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006820.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006820.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006820.cif