Crystallography Open Database

Information card for entry 4116258

Preview

Coordinates	4116258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H118 Cl2 N4 P4 Pt2
Calculated formula	C112 H118 Cl2 N4 P4 Pt2
SMILES	c1c2cccc1C[P]([Pt](Cl)([P](Cc1cc(C[P]([Pt](Cl)([P](C2)(c2ccccc2)c2ccccc2)c2c(cccc2CN(C)C)CN(C)C)(c2ccccc2)c2ccccc2)ccc1)(c1ccccc1)c1ccccc1)c1c(cccc1CN(C)C)CN(C)C)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
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	13.0416 ± 0.0002 Å
b	15.5605 ± 0.0003 Å
c	24.1866 ± 0.0005 Å
α	90°
β	92.638 ± 0.001°
γ	90°
Cell volume	4903.08 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
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.	4116258.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116258.cif
70839	2013-01-05	cif/ Adding structures of 4116258 via cif-deposit CGI script.	4116258.cif