Crystallography Open Database

Information card for entry 4504630

Preview

Coordinates	4504630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 N4 O15 Zn
Calculated formula	C20 H16 N4 O14.999 Zn1.00265
Title of publication	Different Molecular Frameworks of Zinc(II) and Cadmium(II) Coordination Polymers Constructed by Flexible Double Betaine Ligands
Authors of publication	Wu, A-Qing; Li, Yan; Zheng, Fa-Kun; Guo,; Huang, Jin-Shun
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	444
a	17.353 ± 0.005 Å
b	7.0076 ± 0.0019 Å
c	21.571 ± 0.006 Å
α	90°
β	95.87 ± 0.004°
γ	90°
Cell volume	2609.3 ± 1.3 Å³
Cell temperature	130.15 K
Ambient diffraction temperature	130.15 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	0.0936
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.1921
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179581 (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 4/50/46.	4504630.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504630.cif
47446	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504630 via cif-deposit CGI script.	4504630.cif