Crystallography Open Database

Information card for entry 4109245

Preview

Coordinates	4109245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H57 B F24 N2 Pt
Calculated formula	C69 H57 B F24 N2 Pt
Title of publication	Mechanistic Studies of Platinum(II)-Catalyzed Ethylene Dimerization: Determination of Barriers to Migratory Insertion in Diimine Pt(II) Hydrido Ethylene and Ethyl Ethylene Intermediates
Authors of publication	Masashi Shiotsuki; Peter S. White; Maurice Brookhart; Joseph L. Templeton
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	4058 - 4067
a	11.9369 ± 0.0005 Å
b	14.9994 ± 0.0005 Å
c	18.276 ± 0.0008 Å
α	89.172 ± 0.003°
β	86.881 ± 0.003°
γ	87.947 ± 0.003°
Cell volume	3265.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
178838 (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 4/10/92.	4109245.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109245.cif
58009	2012-05-23	cif/ Adding structures of 4109245 via cif-deposit CGI script.	4109245.cif