Crystallography Open Database

Information card for entry 4504626

Preview

Coordinates	4504626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 N4 O12 Zn
Calculated formula	C15 H14 N4 O12 Zn
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	12.236 ± 0.008 Å
b	6.2011 ± 0.0018 Å
c	14.155 ± 0.005 Å
α	90°
β	111.19 ± 0.04°
γ	90°
Cell volume	1001.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	4504626.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504626.cif
47442	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504626 via cif-deposit CGI script.	4504626.cif