Crystallography Open Database

Information card for entry 4504749

Preview

Coordinates	4504749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H50 N12 O16 Zn3
Calculated formula	C50 H34 N12 O16 Zn3
Title of publication	Three 3D Coordination Polymers Constructed by Cd(II) and Zn(II) with Imidazole-4,5-Dicarboxylate and 4,4‘-Bipyridyl Building Blocks
Authors of publication	Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	564
a	11.558 ± 0.007 Å
b	11.617 ± 0.007 Å
c	11.841 ± 0.007 Å
α	64.11 ± 0.01°
β	81.057 ± 0.011°
γ	72.69 ± 0.01°
Cell volume	1364.9 ± 1.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.1052
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1649
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	4504749.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504749.cif
47504	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504747, 4504748, 4504749 via cif-deposit CGI script.	4504749.cif