Crystallography Open Database

Information card for entry 4511501

Preview

Coordinates	4511501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 N6 O8 Zn
Calculated formula	C12 H14 N6 O8 Zn
Title of publication	Anion Control of the Self-Assembly of One-Dimensional Molecular Ladders vs Three-Dimensional Cross-like Arrays Based on a Bidentate Schiff Base Ligand
Authors of publication	Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	8
Pages of publication	1897
a	8.8184 ± 0.0018 Å
b	12.627 ± 0.003 Å
c	7.4326 ± 0.0015 Å
α	90°
β	90.86 ± 0.03°
γ	90°
Cell volume	827.5 ± 0.3 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	0.0887
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
179662 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/15.	4511501.cif
118622	2014-06-30	cif/ Adding structures of 4511499, 4511500, 4511501, 4511502 via cif-deposit CGI script.	4511501.cif