Crystallography Open Database

Information card for entry 8105324

Preview

Coordinates	8105324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 Br N2 O4 Zn
Calculated formula	C12 H13 Br N2 O4 Zn
Title of publication	The crystal structure of catena-poly[(μ2-2-((3-bromo-2-oxidobenzylidene)amino)acetato-κ4 O,N,O′:O′′)-(dimethylformamide-κ1 O)]zinc(II), C12H13N2O4BrZn
Authors of publication	Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	901 - 902
a	12.0182 ± 0.0012 Å
b	6.9735 ± 0.0007 Å
c	16.251 ± 0.0014 Å
α	90°
β	93.572 ± 0.009°
γ	90°
Cell volume	1359.3 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
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
275755 (current)	2022-06-03	cif/ Adding structures of 8105324 via cif-deposit CGI script.	8105324.cif