Crystallography Open Database

Information card for entry 7016912

Preview

Coordinates	7016912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Br N4 O5 Re
Calculated formula	C21 H16 Br N4 O5 Re
Title of publication	Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.
Authors of publication	Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	39
Pages of publication	10215 - 10228
a	29.8269 ± 0.0016 Å
b	29.8269 ± 0.0016 Å
c	15.6504 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	12057.9 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1045
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.1731
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.211
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
179873 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/69.	7016912.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016912.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016912.cif
28108	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7016912, 7016913, 7016914, 7016915, 7016916, 7016917, 7016918, 7016919 via cif-deposit CGI script.	7016912.cif