Crystallography Open Database

Information card for entry 4506318

Preview

Coordinates	4506318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 Cu1.5 N O8.5
Calculated formula	C22 H29 Cu1.5 N O8.5
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	14.355 ± 0.005 Å
b	11.343 ± 0.005 Å
c	31.602 ± 0.005 Å
α	90 ± 0.005°
β	102.611 ± 0.005°
γ	90 ± 0.005°
Cell volume	5022 ± 3 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	0.0696
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4506318.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506318.cif
62229	2012-07-07	cif/ Adding structures of 4506311, 4506312, 4506313, 4506314, 4506315, 4506316, 4506317, 4506318 via cif-deposit CGI script.	4506318.cif