Crystallography Open Database

Information card for entry 8102263

Preview

Coordinates	8102263.cif

Structure parameters

Chemical name	[N,N'-(bis(2-phenoxyacetic)formylidene)propane-1,3-diamine-zinc(II)] hydrate 0.25ethanol
Formula	C21.5 H23.5 N2 O7.25 Zn
Calculated formula	C21.5 H23.5 N2 O7.25 Zn
Title of publication	Crystal structure of [N,N'-(bis(2-phenoxyacetic)formylidene)propane-1,3-diaminezinc(II)] - water - ethanol (1:1:0.25), [Zn(C21H20N2O6)] · H2O · 0.25C2H6O
Authors of publication	Zhan-Liang Wang; Dong-Sheng Zhu; Rong-Shun Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	215
a	10.0416 ± 0.0016 Å
b	16.681 ± 0.003 Å
c	14.979 ± 0.002 Å
α	90°
β	100.096 ± 0.002°
γ	90°
Cell volume	2470.2 ± 0.7 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	0.0652
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1972
Weighted residual factors for all reflections included in the refinement	0.2033
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102263.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102263.cif
13002	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102263 via cif-deposit CGI script.	8102263.cif