Crystallography Open Database

Information card for entry 4075620

Preview

Coordinates	4075620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 N2 Pt
Calculated formula	C36 H38 N2 Pt
SMILES	[Pt]12(c3ccccc3c3[n]1c(cc(c3)C(C)(C)C)c1[n]2ccc(c1)C(C)(C)C)c1ccccc1.c1ccccc1
Title of publication	Heterolytic CH Activation with a Cyclometalated Platinum(II) 6-Phenyl-4,4‘-di-tert-butyl-2,2-Bipyridine Complex
Authors of publication	Young, Kenneth J. H.; Meier, Steven K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, William A.; Periana, Roy A.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	20
Pages of publication	4734
a	13.002 ± 0.002 Å
b	16.534 ± 0.003 Å
c	13.345 ± 0.002 Å
α	90°
β	95.971 ± 0.003°
γ	90°
Cell volume	2853.3 ± 0.8 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	4
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	0.0417
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
178645 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/56.	4075620.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075620.cif
49356	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075620 via cif-deposit CGI script.	4075620.cif