Crystallography Open Database

Information card for entry 4507455

Preview

Coordinates	4507455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H31 N6 O12 Zn
Calculated formula	C39 H31 N6 O12 Zn
Title of publication	Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties
Authors of publication	Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	1059
a	13.5193 ± 0.0004 Å
b	18.2105 ± 0.0004 Å
c	14.6349 ± 0.0004 Å
α	90°
β	97.039 ± 0.003°
γ	90°
Cell volume	3575.86 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
179610 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/74.	4507455.cif
85517	2013-05-07	cif/ Adding structures of 4507454, 4507455, 4507456, 4507457, 4507458 via cif-deposit CGI script.	4507455.cif