Crystallography Open Database

Information card for entry 7207619

7207618 << 7207619 >> 7207620

Preview

Coordinates	7207619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Cd N6 O6
Calculated formula	C16 H20 Cd N6 O6
Title of publication	Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence
Authors of publication	Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	8
Pages of publication	2691
a	10.3443 ± 0.0014 Å
b	10.6769 ± 0.0014 Å
c	11.0401 ± 0.0015 Å
α	81.775 ± 0.002°
β	66.024 ± 0.001°
γ	70.742 ± 0.001°
Cell volume	1051.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
180407 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/76.	7207619.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207619.cif
52049	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207616, 7207617, 7207618, 7207619, 7207620, 7207621 via cif-deposit CGI script.	7207619.cif