Crystallography Open Database

Information card for entry 7112194

Preview

Coordinates	7112194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H57 F4 N O P2 Pt
Calculated formula	C36 H57 F4 N O P2 Pt
SMILES	c1(c(c(F)nc(c1F)F)F)O[Pt](C)([P](C1CCCC1)(C1CCCC1)C1CCCC1)[P](C1CCCC1)(C1CCCC1)C1CCCC1
Title of publication	Oxidative addition of ether O-methyl bonds at a Pt(0) centre
Authors of publication	Perutz, Robin N; Jasim, Naser A; Procacci, Barbara; Whitwood, Adrian C
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3914
a	9.6998 ± 0.0008 Å
b	26.16 ± 0.002 Å
c	13.9557 ± 0.0012 Å
α	90°
β	100.507 ± 0.002°
γ	90°
Cell volume	3481.8 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	7
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	0.0295
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
180235 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/21.	7112194.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112194.cif
108113	2014-03-27	cif/ Adding structures of 7112194, 7112195, 7112196, 7112197 via cif-deposit CGI script.	7112194.cif