Crystallography Open Database

Information card for entry 4335368

Preview

Coordinates	4335368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H51 Cl2 Cu3 N9 O12
Calculated formula	C25 H51 Cl2 Cu3 N9 O12
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	21.2271 ± 0.0007 Å
b	7.7945 ± 0.0003 Å
c	22.9648 ± 0.0006 Å
α	90°
β	94.739 ± 0.002°
γ	90°
Cell volume	3786.6 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	4335368.cif
101295	2014-02-11	cif/ Adding structures of 4335368 via cif-deposit CGI script.	4335368.cif