Crystallography Open Database

Information card for entry 7024141

Preview

Coordinates	7024141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 F6 O P2 Pd S
Calculated formula	C41 H34 F6 O P2 Pd S
SMILES	[Pd]12(Sc3ccccc3C(C(F)(F)F)(C(F)(F)F)O1)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.c1ccccc1
Title of publication	Insertion of platinum and palladium into a sulfur(IV)-sulfur(II) bond of a sulfur-substituted sulfurane.
Authors of publication	Kano, Naokazu; Kusaka, Shinpei; Kawashima, Takayuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	456 - 460
a	10.054 ± 0.004 Å
b	11.308 ± 0.004 Å
c	17.161 ± 0.007 Å
α	98.614 ± 0.014°
β	94.818 ± 0.013°
γ	105.675 ± 0.015°
Cell volume	1841.4 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179946 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/41.	7024141.cif
92197	2014-01-12	cif/ Adding structures of 7024140, 7024141 via cif-deposit CGI script.	7024141.cif