Crystallography Open Database

Information card for entry 4327274

Preview

Coordinates	4327274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H110 Cl6 Cu4 N6 O25
Calculated formula	C82 H99 Cl6 Cu4 N6 O25
SMILES	[Cu]123[N]([C@@H]4O[C@H]5[C@@H](O[C@@H](OC5)C)[C@H](O)[C@H]4[O]2[Cu]24Oc5c(C=[N]4[C@@H]4O[C@H]6[C@@H](O[C@@H](OC6)C)[C@H](O)[C@H]4[O]2[Cu]24[N]([C@@H]6O[C@H]7[C@@H](O[C@@H](OC7)C)[C@H](O)[C@H]6[O]4[Cu]46Oc7c(C=[N]6[C@@H]6O[C@H]8[C@@H](O[C@@H](OC8)C)[C@H](O)[C@H]6[O]34)cccc7C(C)(C)C)=Cc3c(O2)c(ccc3)C(C)(C)C)cccc5C(C)(C)C)=Cc2c(O1)c(ccc2)C(C)(C)C.ClC(Cl)Cl.ClC(Cl)Cl.O.N#CC.N#CC
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	12.7676 ± 0.0013 Å
b	16.6577 ± 0.0014 Å
c	22.081 ± 0.002 Å
α	90°
β	100.419 ± 0.0016°
γ	90°
Cell volume	4618.7 ± 0.7 Å³
Cell temperature	153.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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.	4327274.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327274.cif
60990	2012-06-20	cif/ Adding structures of 4327274 via cif-deposit CGI script.	4327274.cif