Crystallography Open Database

Information card for entry 4335366

Preview

Coordinates	4335366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H100 Cl6 Cu9 N24 O42 S4
Calculated formula	C104 H100 Cl6 Cu9 N24 O42 S4
Title of publication	Coordination Diversity in Mono- and Oligonuclear Copper(II) Complexes of Pyridine-2-Hydroxamic and Pyridine-2,6-Dihydroxamic Acids
Authors of publication	Elzbieta Gumienna-Kontecka; Irina A. Golenya; Agnieszka Szebesczyk; Matti Haukka; Roland Krämer; Igor O. Fritsky
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7633 - 7644
a	14.2882 ± 0.0004 Å
b	14.3346 ± 0.0004 Å
c	16.6764 ± 0.0003 Å
α	89.81 ± 0.002°
β	67.121 ± 0.002°
γ	76.957 ± 0.002°
Cell volume	3052.1 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179456 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/53.	4335366.cif
101293	2014-02-11	cif/ Adding structures of 4335366 via cif-deposit CGI script.	4335366.cif