Crystallography Open Database

Information card for entry 4116257

Preview

Coordinates	4116257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H51.33 Cl N2 P2 Pt
Calculated formula	C48.99 H51.31 Cl N2 P2 Pt
Title of publication	Transcyclometalation Processes with Late Transition Metals: Caryl-H Bond Activation via Noncovalent C-H...Interactions
Authors of publication	Martin Albrecht; Paulo Dani; Martin Lutz; Anthony L. Spek; Gerard van Koten
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	11822 - 11833
a	11.5811 ± 0.0003 Å
b	12.4431 ± 0.0003 Å
c	17.6349 ± 0.0005 Å
α	70.7122 ± 0.001°
β	84.1765 ± 0.0011°
γ	69.4615 ± 0.0013°
Cell volume	2245.87 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0408
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178933 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/62.	4116257.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116257.cif
70838	2013-01-05	cif/ Adding structures of 4116257 via cif-deposit CGI script.	4116257.cif