Crystallography Open Database

Information card for entry 4331129

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Coordinates	4331129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H28 F10 I N P2 Pt2
Calculated formula	C49 H28 F10 I N P2 Pt2
SMILES	[Pt]1([I][Pt]2([P]1(c1ccccc1)c1ccccc1)[P](c1cccc3ccc4ccc[n]2c4c13)(c1ccccc1)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Formation of P-C Bond through Reductive Coupling between Bridging Phosphido and Benzoquinolinate Groups. Isolation of Complexes of the Pt(II)/Pt(IV)/Pt(II) Sequence
Authors of publication	Andersson Arias; Juan Forniés; Consuelo Fortuño; Antonio Martín; Mario Latronico; Piero Mastrorilli; Stefano Todisco; Vito Gallo
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12682 - 12696
a	11.7997 ± 0.0001 Å
b	20.9853 ± 0.0002 Å
c	34.6859 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8588.93 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 1 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	0.0455
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
179414 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/11.	4331129.cif
80592	2013-04-08	cif/ Adding structures of 4331129 via cif-deposit CGI script.	4331129.cif