Crystallography Open Database

Information card for entry 4314751

Preview

Coordinates	4314751.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ag(PhTmMe)(PCy3)].1/2 MeCN.1/4 Et2O
Formula	C38 H54.5 Ag B N6.5 O0.25 P S3
Calculated formula	C38 H54.5 Ag B N6.5 O0.25 P S3
Title of publication	Surface Science of Soft Scorpionates
Authors of publication	Dawn Wallace; Edward J. Quinn; David R. Armstrong; John Reglinski; Mark D. Spicer; W. Ewen Smith
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1420 - 1427
a	15.0658 ± 0.0002 Å
b	15.8277 ± 0.0003 Å
c	18.2787 ± 0.0004 Å
α	78.009 ± 0.001°
β	85.861 ± 0.001°
γ	83.389 ± 0.001°
Cell volume	4230 ± 0.14 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4314751.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314751.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314751.cif
7894	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314751 via cif-deposit CGI script.	4314751.cif