Crystallography Open Database

Information card for entry 1517042

Preview

Coordinates	1517042.cif

Structure parameters

Formula	C17 H24 N4 O5 Zn
Calculated formula	C17 H24 N4 O5 Zn
Title of publication	A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane
Authors of publication	Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	402
Pages of publication	25 - 32
a	9.47 ± 0.0013 Å
b	8.8874 ± 0.0012 Å
c	11.3366 ± 0.0015 Å
α	90°
β	94.809 ± 0.002°
γ	90°
Cell volume	950.8 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517042.cif
119951	2014-07-10	cif/ Adding structures of 1517042 via cif-deposit CGI script.	1517042.cif