Crystallography Open Database

Information card for entry 4318180

Preview

Coordinates	4318180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H15 Br2 F15 N4 Re
Calculated formula	C25 H15 Br2 F15 N4 Re
SMILES	[Re]12(Br)(Br)[N](CCN1c1c(c(c(c(c1F)F)F)F)F)(CCN2c1c(c(c(c(c1F)F)F)F)F)CCCNc1c(c(c(c(c1F)F)F)F)F
Title of publication	Unsymmetrical Tren-Based Ligands: Synthesis and Reactivity of Rhenium Complexes
Authors of publication	Nadia C. Mösch-Zanetti; Sinje Köpke; Regine Herbst-Irmer; Manuel Hewitt
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3513 - 3520
a	13.797 ± 0.002 Å
b	13.959 ± 0.002 Å
c	15.722 ± 0.002 Å
α	80.86 ± 0.02°
β	86.87 ± 0.02°
γ	77.18 ± 0.02°
Cell volume	2914.4 ± 0.8 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0742
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179261 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/81.	4318180.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318180.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318180.cif
14469	2011-03-10	../uploads/cif-deposit/cod/cif Adding structures of 4318180 via cif-deposit CGI script.	4318180.cif