Crystallography Open Database

Information card for entry 4325242

Preview

Coordinates	4325242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 F6 N4 Os P2 S3
Calculated formula	C44 H32 F6 N4 Os P2 S3
Title of publication	Coordination Mode Dependent Excited State Behavior in Group 8 Phosphino(terthiophene) Complexes
Authors of publication	Stephanie A. Moore; Jeffrey K. Nagle; Michael O. Wolf; Brian O. Patrick
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5113 - 5122
a	39.8697 ± 0.0009 Å
b	9.427 ± 0.0002 Å
c	28.1007 ± 0.0005 Å
α	90°
β	130.946 ± 0.001°
γ	90°
Cell volume	7977.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179355 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/52.	4325242.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325242.cif
43695	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325242 via cif-deposit CGI script.	4325242.cif