Crystallography Open Database

Information card for entry 4304402

Preview

Coordinates	4304402.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[TcO3Cl(phen)]
Chemical name	Chloro-trioxo-1,10-phenanthroline-technetium(VII)
Formula	C12 H8 Cl N2 O3 Tc
Calculated formula	C12 H8 Cl N2 O3 Tc
Title of publication	High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities
Authors of publication	Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	257 - 264
a	7.5144 ± 0.0002 Å
b	11.616 ± 0.0002 Å
c	13.9303 ± 0.0003 Å
α	90°
β	97.2381 ± 0.0018°
γ	90°
Cell volume	1206.25 ± 0.05 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
179082 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/44.	4304402.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304402.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304402.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304402.cif