Crystallography Open Database

Information card for entry 7009103

Preview

Coordinates	7009103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.65 H57.53 Ag B Cl0.48 F4 N1.68 P4 S8
Calculated formula	C67.636 H57.516 Ag B Cl0.494 F4 N1.674 P4 S8
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	25.569 ± 0.005 Å
b	21.376 ± 0.004 Å
c	27.209 ± 0.005 Å
α	90°
β	112.75 ± 0.03°
γ	90°
Cell volume	13714 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	0.9
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
179795 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/91.	7009103.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009103.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009103.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009103.cif