Crystallography Open Database

Information card for entry 7206367

7206366 << 7206367 >> 7206368

Preview

Coordinates	7206367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H46 Br3 Cu3 N4 O4
Calculated formula	C26 H46 Br3 Cu3 N4 O4
Title of publication	Two unusual mixed-valent trinuclear CuII2CuI complexes containing copper(i) tribromide dianion as bridging ligand: Identification of an unprecedented doubly hydrogen-bonded water dimer
Authors of publication	Biswas, Apurba; Saha, Rajat; Ghosh, Ashutosh
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	17
Pages of publication	5342
a	23.267 ± 0.003 Å
b	11.0415 ± 0.0016 Å
c	15.727 ± 0.002 Å
α	90°
β	122.907 ± 0.002°
γ	90°
Cell volume	3392.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1291
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.2055
Weighted residual factors for all reflections included in the refinement	0.2423
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
180394 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/63.	7206367.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206367.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206367.cif
27347	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7206366, 7206367 via cif-deposit CGI script.	7206367.cif