Crystallography Open Database

Information card for entry 7200515

7200514 << 7200515 >> 7200516

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Coordinates	7200515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 Cl2 O4 P2 Pd S2
Calculated formula	C38 H34 Cl2 O4 P2 Pd S2
SMILES	c1(ccccc1)[P]([Pd]([P](C[C@H]1COc2cscc2O1)(c1ccccc1)c1ccccc1)(Cl)Cl)(C[C@@H]1COc2cscc2O1)c1ccccc1
Title of publication	Synthesis and characterization of monomeric and polymeric Pd(II) and Pt(II) complexes of 3,4-ethylenedioxythiophene-functionalized phosphine ligands
Authors of publication	Velauthamurty, Kuhamoorthy; Higgins, Simon J.; Rajapakse, R. M. Gamini; Bacsa, John; van Zalinge, Harm; Nichols, Richard J.; Haiss, Wolfgang
Journal of publication	Journal of Materials Chemistry
Year of publication	2009
Journal volume	19
Journal issue	13
Pages of publication	1850
a	9.244 ± 0.005 Å
b	10.182 ± 0.005 Å
c	10.679 ± 0.006 Å
α	107.001 ± 0.008°
β	96.758 ± 0.009°
γ	106.538 ± 0.008°
Cell volume	899 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0537
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
180336 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/05.	7200515.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200515.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200515.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7200515.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200515.cif