Crystallography Open Database

Information card for entry 4325452

Preview

Coordinates	4325452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Cl O4 Tc n4
Calculated formula	C24 H32 Cl N4 O4 Tc
Title of publication	Electronic and Molecular Structures of trans-Dioxotechnetium(V) Polypyridyl Complexes in the Solid State
Authors of publication	Sayandev Chatterjee; Andrew S. Del Negro; Zheming Wang; Matthew K. Edwards; Frances N. Skomurski; Sean E. Hightower; Jeanette A. Krause; Brendan Twamley; B. Patrick Sullivan; Christian Reber; William R. Heineman; Carl J. Seliskar; Samuel A. Bryan
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5815 - 5823
a	10.2396 ± 0.0001 Å
b	10.2396 ± 0.0001 Å
c	42.6378 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	3871.61 ± 0.09 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325452.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325452.cif
44522	2012-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4325452 via cif-deposit CGI script.	4325452.cif