Crystallography Open Database

Information card for entry 4075177

Preview

Coordinates	4075177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 N3 Pt
Calculated formula	C21 H17 N3 Pt
SMILES	[Pt]1([n]2ccccc2c2n1c1c(c2)cccc1)([N]#CC)c1ccccc1
Title of publication	Stoichiometric and Catalytic Arene Activations by Platinum Complexes Containing Bidentate Monoanionic Nitrogen-Based Ligands
Authors of publication	Karshtedt, Dmitry; McBee, Jennifer L.; Bell, Alexis T.; Tilley, T. Don
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	7
Pages of publication	1801
a	10.295 ± 0.002 Å
b	26.794 ± 0.006 Å
c	12.618 ± 0.003 Å
α	90°
β	93.41 ± 0.003°
γ	90°
Cell volume	3474.4 ± 1.3 Å³
Cell temperature	133.2 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	0.0624
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for all reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0422
Goodness-of-fit parameter for all reflections included in the refinement	1.368
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4075177.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075177.cif
49102	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075177 via cif-deposit CGI script.	4075177.cif