Crystallography Open Database

Information card for entry 4325241

Preview

Coordinates	4325241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H37 Cl4 F12 N4 Os P3 S3
Calculated formula	C46 H37 Cl4 F12 N4 Os P3 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	11.1984 ± 0.0008 Å
b	20.8114 ± 0.0016 Å
c	21.9881 ± 0.0017 Å
α	90°
β	91.752 ± 0.004°
γ	90°
Cell volume	5122 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	4325241.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325241.cif
43694	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325241 via cif-deposit CGI script.	4325241.cif