Crystallography Open Database

Information card for entry 7212029

7212028 << 7212029 >> 7212030

Preview

Coordinates	7212029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Br2 N4 O3 Zn
Calculated formula	C16 H20 Br2 N4 O3 Zn
Title of publication	Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand
Authors of publication	Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	702
a	15.3196 ± 0.0016 Å
b	18.1947 ± 0.0013 Å
c	14.8493 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4139 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
180451 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/20.	7212029.cif
92563	2014-01-12	cif/ Adding structures of 7212027, 7212028, 7212029, 7212030, 7212031, 7212032 via cif-deposit CGI script.	7212029.cif