Crystallography Open Database

Information card for entry 4502775

Preview

Coordinates	4502775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 N2 O7 Zn
Calculated formula	C22 H26 N2 O7 Zn
Title of publication	Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand
Authors of publication	Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	147
a	6.277 ± 0.002 Å
b	17.702 ± 0.007 Å
c	20.486 ± 0.008 Å
α	90°
β	97.565 ± 0.005°
γ	90°
Cell volume	2256.5 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0896
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.1918
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
179558 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/27.	4502775.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502775.cif
37755	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502775 via cif-deposit CGI script.	4502775.cif