Crystallography Open Database

Information card for entry 4081046

Preview

Coordinates	4081046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 N2 Pt
Calculated formula	C24 H22 N2 Pt
SMILES	[Pt]1([n]2ccccc2CCc2[n]1cccc2)(c1ccccc1)c1ccccc1
Title of publication	Control of Olefin Hydroarylation Catalysis via a Sterically and Electronically Flexible Platinum(II) Catalyst Scaffold
Authors of publication	McKeown, Bradley A.; Gonzalez, Hector Emanuel; Michaelos, Thoe; Gunnoe, T. Brent; Cundari, Thomas R.; Crabtree, Robert H.; Sabat, Michal
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	14
Pages of publication	3903
a	9.1014 ± 0.0005 Å
b	23.4725 ± 0.0013 Å
c	8.9432 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1910.56 ± 0.18 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.565
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
178699 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/10.	4081046.cif
87978	2013-08-27	cif/ Adding structures of 4081044, 4081045, 4081046, 4081047 via cif-deposit CGI script.	4081046.cif