Crystallography Open Database

Information card for entry 4085560

Preview

Coordinates	4085560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H53 F7 N P3 Pt Sb2
Calculated formula	C61 H53 F7 N P3 Pt Sb2
SMILES	[Pt]123([Sb](F)(c4ccccc4[P]1(c1ccccc1)c1ccccc1)(c1ccccc1[P]2(c1ccccc1)c1ccccc1)c1ccccc1[P]3(c1ccccc1)c1ccccc1)C#[N]C1CCCCC1.[Sb](F)(F)(F)(F)(F)[F-]
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	17.2649 ± 0.0018 Å
b	16.7361 ± 0.0018 Å
c	36.86 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	10651 ± 2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	4085560.cif
140245	2015-07-05	cif/ Updating files of 4085560, 4085561, 4085562, 4085563, 4085564 Original log message: Adding full bibliography for 4085560--4085564.cif.	4085560.cif
132443	2015-02-26	cif/ Adding structures of 4085560 via cif-deposit CGI script.	4085560.cif