Crystallography Open Database

Information card for entry 2225628

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Structure parameters

Chemical name	Chloridotris(pentafluorobenzenethiolato-κ<i>S</i>)[tris(4- fluorophenyl)phosphine-κ<i>P</i>]osmium(IV)
Formula	C36 H12 Cl F18 Os P S3
Calculated formula	C36 H12 Cl F18 Os P S3
SMILES	[Os](Cl)([P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)(Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)Sc1c(F)c(F)c(F)c(F)c1F
Title of publication	Chloridotris(pentafluorobenzenethiolato-κ<i>S</i>)[tris(4-fluorophenyl)phosphine-κ<i>P</i>]osmium(IV)
Authors of publication	Arias, Asdrúbal; Meléndez, Lidia; Bernès, Sylvain; Arroyo, Maribel
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	4
Pages of publication	m477 - m478
a	17.983 ± 0.007 Å
b	10.446 ± 0.005 Å
c	21.521 ± 0.008 Å
α	90°
β	107.62 ± 0.02°
γ	90°
Cell volume	3853 ± 3 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 K
Cell measurement pressure	101 ± 2 kPa
Number of distinct elements	7
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	0.076
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.325
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181177 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/56.	2225628.cif 2225628.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2225628.cif 2225628.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2225628.cif 2225628.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2225628.cif 2225628.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2225628.cif 2225628.hkl
1157	2010-05-06	hkl/ Adding Fobs data for the recent IUCr deposition.	2225628.cif 2225628.hkl
1144	2010-05-03	cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition.	2225628.cif