Crystallography Open Database

Information card for entry 4505674

Preview

Coordinates	4505674.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(35DBP)2Cu10Br22
Chemical name	Bis(3,5-dibromopyridinium)duoeicosobromodecacuprate(II)
Formula	C5 H4 Br13 Cu5 N
Calculated formula	C5 H4 Br13 Cu5 N
Title of publication	A Planar Bibridged Cu10Br222-Oligomer: Dimensional Reduction and Recombination of the CuBr2Lattice via the N−H···Br-and the C−Br···Br-Synthons
Authors of publication	Haddad, Salim; Awwadi, Firas; Willett, Roger D.
Journal of publication	Crystal Growth & Design
Year of publication	2003
Journal volume	3
Journal issue	4
Pages of publication	501
a	9.8102 ± 0.0014 Å
b	10.0076 ± 0.0013 Å
c	12.8246 ± 0.0014 Å
α	103.151 ± 0.008°
β	97.03 ± 0.009°
γ	98.851 ± 0.01°
Cell volume	1195.1 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1307
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
179591 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/56.	4505674.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505674.cif
53684	2012-04-20	cif/ Adding structures of 4505674 via cif-deposit CGI script.	4505674.cif