Crystallography Open Database

Information card for entry 7027235

Preview

Coordinates	7027235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H54 Cl3 N10 O13.5 Zn2
Calculated formula	C39 H53 Cl3 N10 O17 Zn2
Title of publication	Solution and solid state structures of binuclear zinc(II) complexes of bis(pentadentate) ligands derived from bis(1,4,7-triazacyclononane) macrocycles
Authors of publication	J. Brudenell, Suzanne; Spiccia, Leone; C. R. Hockless, David; R. T. Tiekink, Edward
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	9
Pages of publication	1475
a	18.863 ± 0.009 Å
b	19.011 ± 0.005 Å
c	12.663 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4541 ± 3 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.0665
Goodness-of-fit parameter for significantly intense reflections	2.107
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027235.cif
95180	2014-01-28	cif/ Adding structures of 7027234, 7027235 via cif-deposit CGI script.	7027235.cif