Crystallography Open Database

Information card for entry 4504799

Preview

Coordinates	4504799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 K2 N4 O48 Zn7
Calculated formula	C48 H60 K2 N4 O48 Zn7
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	7.7389 ± 0.0009 Å
b	10.602 ± 0.001 Å
c	20.719 ± 0.002 Å
α	96.054 ± 0.006°
β	90.734 ± 0.003°
γ	103.936 ± 0.006°
Cell volume	1639.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	446 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1185
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
179582 (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 4/50/47.	4504799.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504799.cif
47543	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504799 via cif-deposit CGI script.	4504799.cif