Crystallography Open Database

Information card for entry 4085561

Preview

Coordinates	4085561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 Cl F P3 Pt Sb
Calculated formula	C54 H42 Cl F P3 Pt Sb
SMILES	[Pt]123([Sb](F)(c4c([P]1(c1ccccc1)c1ccccc1)cccc4)(c1c([P]2(c2ccccc2)c2ccccc2)cccc1)c1c([P]3(c2ccccc2)c2ccccc2)cccc1)Cl
Title of publication	Guilty on Two Counts: Stepwise Coordination of Two Fluoride Anions to the Antimony Atom of a Noninnocent Stibine Ligand
Authors of publication	Jones, James S.; Wade, Casey R.; Gabba\?ï, François P.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2647
a	12.865 ± 0.004 Å
b	17.498 ± 0.005 Å
c	19.948 ± 0.006 Å
α	90°
β	99.066 ± 0.004°
γ	90°
Cell volume	4434 ± 2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
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	0.0447
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085561.cif
140245	2015-07-05	cif/ Updating files of 4085560, 4085561, 4085562, 4085563, 4085564 Original log message: Adding full bibliography for 4085560--4085564.cif.	4085561.cif
132444	2015-02-26	cif/ Adding structures of 4085561 via cif-deposit CGI script.	4085561.cif