Crystallography Open Database

Information card for entry 4505471

Preview

Coordinates	4505471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H52 N9 O13 Zn2
Calculated formula	C52 H52 N9 O13 Zn2
Title of publication	Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand
Authors of publication	Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1193
a	21.598 ± 0.004 Å
b	19.922 ± 0.004 Å
c	24.788 ± 0.005 Å
α	90°
β	98.6 ± 0.03°
γ	90°
Cell volume	10546 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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
179589 (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 4/50/54.	4505471.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505471.cif
51771	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505467, 4505468, 4505469, 4505470, 4505471, 4505472 via cif-deposit CGI script.	4505471.cif