Crystallography Open Database

Information card for entry 4303843

Preview

Coordinates	4303843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Cu2 N8 O10
Calculated formula	C40 H36 Cu2 N8 O10
Title of publication	New 3D Coordination Polymers Constructed from Pillared Metal-Formate Kagomé Layers Exhibiting Spin Canting Only in the Nickel(II) Complex
Authors of publication	Zuo-Xi Li; Jiong-Peng Zhao; E. C. Sañudo; Hong Ma; Zhong-Da Pan; Yong-Fei Zeng; Xian-He Bu
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	11601 - 11607
a	18.221 ± 0.004 Å
b	11.985 ± 0.002 Å
c	22.525 ± 0.009 Å
α	90°
β	115.68 ± 0.02°
γ	90°
Cell volume	4433 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1658
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.2116
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179076 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/38.	4303843.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303843.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303843.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303843.cif