Crystallography Open Database

Information card for entry 7018021

Preview

Coordinates	7018021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H28 Br2 O P4 Pd2 S
Calculated formula	C10 H28 Br2 O P4 Pd2 S
SMILES	C1[P](C)(C)[Pd]2([P](C[P](C)(C)[Pd]([P]1(C)C)(S2=O)Br)(C)C)Br
Title of publication	Reactivity of the bridged-sulfide complex Pd(2)Cl(2)(μ-S)(μ-dmpm)(2) toward electrophiles.
Authors of publication	Pamplin, Craig B.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	7
Pages of publication	1991 - 2002
a	10.7943 ± 0.0011 Å
b	13.7756 ± 0.0003 Å
c	14.8223 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2204 ± 0.2 Å³
Cell temperature	180 ± 1 K
Ambient diffraction temperature	180 ± 1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179884 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/80.	7018021.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018021.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7018021.cif
33495	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7018019, 7018020, 7018021 via cif-deposit CGI script.	7018021.cif