Crystallography Open Database

Information card for entry 4508651

Preview

Coordinates	4508651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H17 Cu2 N O13
Calculated formula	C12 H17 Cu2 N O13
Title of publication	1D Tube, 2D Layer, and 3D Framework Derived from a New Series of Metal(II)−5-Aminodiacetic Isophthalate Coordination Polymers
Authors of publication	Xu, Yanqing; Yuan, Daqiang; Wu, Benlai; Han, Lei; Wu, Mingyan; Jiang, Feilong; Hong, Maochun
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	5
Pages of publication	1168
a	7.1637 ± 0.0005 Å
b	10.014 ± 0.003 Å
c	12.3475 ± 0.0007 Å
α	70.188 ± 0.01°
β	88.077 ± 0.015°
γ	80.202 ± 0.013°
Cell volume	820.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179622 (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 4/50/86.	4508651.cif
96827	2014-01-29	cif/ Adding structures of 4508651 via cif-deposit CGI script.	4508651.cif