Crystallography Open Database

Information card for entry 7009099

Preview

Coordinates	7009099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 B Cl4 F4 P4 Pd0.5 S4
Calculated formula	C56.06 H44.48 B Cl4 F4 P4 Pd0.5 S4
Title of publication	Homoleptic complexes of Ag(I), Cu(I), Pd(II) and Pt(II) with tetrathiafulvalene-functionalized phosphine ligands †
Authors of publication	Smucker, Bradley W.; Dunbar, Kim R.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	8
Pages of publication	1309
a	17.0665 ± 0.0008 Å
b	19.0941 ± 0.0009 Å
c	19.2877 ± 0.001 Å
α	90°
β	115.138 ± 0.001°
γ	90°
Cell volume	5690 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.123
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1801
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009099.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009099.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009099.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009099.cif