Crystallography Open Database

Information card for entry 4109196

Preview

Coordinates	4109196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H56 N12 Pt4
Calculated formula	C64 H56 N12 Pt4
SMILES	[Pt]12(c3n(c4c(c3)ccc[n]4[Pt]3(c4n(c5c(c4)ccc[n]5[Pt]4(c5n(c6c(c5)ccc[n]6[Pt]5(c6n(c7c(c6)ccc[n]27)c2cccc[n]52)C)c2cccc[n]42)C)c2cccc[n]32)C)c2cccc[n]12)C.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	9.862 ± 0.004 Å
b	13.404 ± 0.005 Å
c	24.203 ± 0.009 Å
α	76.366 ± 0.006°
β	86.246 ± 0.007°
γ	70.238 ± 0.007°
Cell volume	2926 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1191
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	0.639
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.	4109196.cif
178089	2016-03-10	cif/4 Fixing Z values and formulae	4109196.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109196.cif
57951	2012-05-23	cif/ Adding structures of 4109196 via cif-deposit CGI script.	4109196.cif