Crystallography Open Database

Information card for entry 4343087

Preview

Coordinates	4343087.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[ReOPentaCOOEt]
Formula	C30.25 H32 N4 O8.25 Re S
Calculated formula	C30.25 H32 N4 O8.25 Re S
Title of publication	Rhenium and Technetium Complexes with Pentadentate Thiocarbamoylbenzamidines: Steps toward Bioconjugation.
Authors of publication	Nguyen, Hung Huy; Pham, Chien Thang; Abram, Ulrich
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	12
Pages of publication	5949 - 5959
a	9.949 ± 0.001 Å
b	10.98 ± 0.001 Å
c	16.796 ± 0.002 Å
α	100.54 ± 0.01°
β	92.32 ± 0.01°
γ	113.36 ± 0.01°
Cell volume	1642.9 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.095
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1695
Weighted residual factors for all reflections included in the refinement	0.1949
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
141352 (current)	2015-07-09	cif/ Updating files of 4343085, 4343086, 4343087 Original log message: Adding full bibliography for 4343085--4343087.cif.	4343087.cif
137540	2015-05-30	cif/ Adding structures of 4343085, 4343086, 4343087 via cif-deposit CGI script.	4343087.cif