Crystallography Open Database

Information card for entry 4327272

Preview

Coordinates	4327272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H84 Cu3 N2 O14
Calculated formula	C54 H84 Cu3 N2 O14
SMILES	[Cu]12([N]([C@@H]3O[C@H]4[C@@H](O[C@@H](OC4)C)[C@@H]4O[Cu]5([O]2[C@@H]34)[O]2[Cu@]3([N]([C@@H]4O[C@H]6[C@@H](O[C@@H](OC6)C)[C@H](O5)[C@@H]24)=Cc2c(O3)c(ccc2)C(C)(C)C)[OH]CCCCCCCC)=Cc2c(O1)c(ccc2)C(C)(C)C)[OH]CCCCCCCC
Title of publication	Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand
Authors of publication	Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	2083 - 2092
a	12.782 ± 0.008 Å
b	14.869 ± 0.009 Å
c	17.617 ± 0.01 Å
α	110.769 ± 0.004°
β	98.5016 ± 0.0017°
γ	109.585 ± 0.007°
Cell volume	2811 ± 3 Å³
Cell temperature	153.1 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.221
Diffraction radiation wavelength	0.7107 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.	4327272.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327272.cif
60988	2012-06-20	cif/ Adding structures of 4327272 via cif-deposit CGI script.	4327272.cif