Crystallography Open Database

Information card for entry 4506314

Preview

Coordinates	4506314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cu1.5 N O8
Calculated formula	C20 H22 Cu1.5 N O8
Title of publication	Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates
Authors of publication	Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	7
Pages of publication	3619
a	8.291 Å
b	13.461 Å
c	18.549 Å
α	90°
β	98.22°
γ	90°
Cell volume	2048.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4506314.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506314.cif
62229	2012-07-07	cif/ Adding structures of 4506311, 4506312, 4506313, 4506314, 4506315, 4506316, 4506317, 4506318 via cif-deposit CGI script.	4506314.cif