Crystallography Open Database

Information card for entry 4331422

Preview

Coordinates	4331422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Br4 Cu2 N16 O2
Calculated formula	C28 H36 Br4 Cu2 N16 O2
Title of publication	Structural and Magnetic Studies on a Bromine-Bridged Copper(II) Dimer with 5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Authors of publication	M. Angustias Romero; Juan M. Salas; Miguel Quirós; M. Purificación Sánchez; José Romero; Daniel Martín
Journal of publication	Inorganic Chemistry
Year of publication	1994
Journal volume	33
Pages of publication	5477 - 5481
a	9.614 ± 0.004 Å
b	12.37 ± 0.006 Å
c	9.645 ± 0.004 Å
α	99.01 ± 0.03°
β	60.17 ± 0.03°
γ	79.61 ± 0.04°
Cell volume	937.1 ± 0.8 Å³
Cell temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.109
Residual factor for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	0.46
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179417 (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 4/33/14.	4331422.cif
120109	2014-07-12	Adding DOIs to range 4/33 structures.	4331422.cif
83852	2013-05-02	cif/ Adding structures of 4331422 via cif-deposit CGI script.	4331422.cif