Crystallography Open Database

Information card for entry 8000185

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Coordinates	8000185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 Cl2 P2 Pd S
Calculated formula	C44 H44 Cl2 P2 Pd S
SMILES	c12ccc(cc1Sc1c(ccc(c1)C(C)(C)C)[P](c1ccccc1)(c1ccccc1)[Pd]([P]2(c1ccccc1)c1ccccc1)(Cl)Cl)C(C)(C)C
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	33.551 ± 0.005 Å
b	14.137 ± 0.002 Å
c	23.109 ± 0.004 Å
α	90°
β	133.018 ± 0.003°
γ	90°
Cell volume	8014 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0755
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	0.792
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	8000185.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.	8000185.cif
94321	2014-01-22	cif/ Adding structures of 8000185, 8000186, 8000187 via cif-deposit CGI script.	8000185.cif