Crystallography Open Database

Information card for entry 4109194

Preview

Coordinates	4109194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N3 Pt
Calculated formula	C24 H19 N3 Pt
SMILES	[Pt]1([n]2cccc3ccn(c23)c2cccc[n]12)(c1ccccc1)c1ccccc1
Title of publication	Intramolecular C-H Activation Directed Self-Assembly of an Organoplatinum(II) Molecular Square
Authors of publication	Shu-Bin Zhao; Rui-Yao Wang; Suning Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3092 - 3093
a	12.6256 ± 0.0017 Å
b	17.061 ± 0.002 Å
c	17.386 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3745 ± 0.8 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1
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
178837 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/91.	4109194.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109194.cif
57949	2012-05-23	cif/ Adding structures of 4109194 via cif-deposit CGI script.	4109194.cif