Crystallography Open Database

Information card for entry 7206950

7206949 << 7206950 >> 7206951

Preview

Coordinates	7206950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 N12 O16 Zn2
Calculated formula	C46 H44 N12 O16 Zn2
Title of publication	A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence
Authors of publication	Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	1
Pages of publication	169
a	11.8109 ± 0.0006 Å
b	13.7859 ± 0.0005 Å
c	16.9387 ± 0.0006 Å
α	67.887 ± 0.004°
β	87.405 ± 0.004°
γ	71.034 ± 0.004°
Cell volume	2407.1 ± 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	0.079
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	0.834
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
180400 (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 7/20/69.	7206950.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206950.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206950.cif
32446	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7206947, 7206948, 7206949, 7206950, 7206951, 7206952, 7206953 via cif-deposit CGI script.	7206950.cif