Crystallography Open Database

Information card for entry 4109658

Preview

Coordinates	4109658.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonag15
Chemical name	Ni(dippe)(C6F5-CC-C6F5) , 7
Formula	C32 H40 F10 P2 Pt
Calculated formula	C32 H40 F10 P2 Pt
SMILES	[Pt]12([C](#[C]1c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)[P](C(C)(C)C)(C(C)(C)C)CC[P]2(C(C)(C)C)C(C)(C)C
Title of publication	Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation
Authors of publication	Ahmet Gunay; William D. Jones
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8729 - 8735
a	14.704 ± 0.0004 Å
b	20.8268 ± 0.0004 Å
c	11.4067 ± 0.0002 Å
α	90°
β	107.311 ± 0.001°
γ	90°
Cell volume	3334.93 ± 0.13 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178842 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/96.	4109658.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109658.cif
58435	2012-05-28	cif/ Adding structures of 4109658 via cif-deposit CGI script.	4109658.cif