Crystallography Open Database

Information card for entry 8000186

Preview

Coordinates	8000186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H44 Cl F3 O3 P2 Pd S2
Calculated formula	C45 H44 Cl F3 O3 P2 Pd S2
Title of publication	Synthesis of a Sulfur-bridged Diphosphine Ligand and Its Unique Complexation Properties toward Palladium(II) Ion
Authors of publication	Morohashi, Naoya; Akahira, Yuki; Tanaka, Shinya; Nishiyama, Kensuke; Kajiwara, Takashi; Hattori, Tetsutaro
Journal of publication	Chemistry Letters
Year of publication	2008
Journal volume	37
Journal issue	4
Pages of publication	418
a	9.716 ± 0.002 Å
b	14.243 ± 0.003 Å
c	17.332 ± 0.004 Å
α	74.498 ± 0.003°
β	83.536 ± 0.003°
γ	71.315 ± 0.003°
Cell volume	2188.5 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1409
Residual factor for significantly intense reflections	0.0928
Weighted residual factors for significantly intense reflections	0.2639
Weighted residual factors for all reflections included in the refinement	0.2799
Goodness-of-fit parameter for all reflections included in the refinement	1.336
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000186.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000186.cif
94321	2014-01-22	cif/ Adding structures of 8000185, 8000186, 8000187 via cif-deposit CGI script.	8000186.cif