Crystallography Open Database

Information card for entry 7009101

Preview

Coordinates	7009101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 B Cl4 F4 P4 Pt0.5 S4
Calculated formula	C56 H44 B Cl4 F4 P4 Pt0.5 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	17.109 ± 0.003 Å
b	19.069 ± 0.004 Å
c	19.339 ± 0.004 Å
α	90°
β	115.17 ± 0.03°
γ	90°
Cell volume	5710 ± 2 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	0.0983
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
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.	7009101.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009101.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009101.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009101.cif