Crystallography Open Database

Information card for entry 4109195

Preview

Coordinates	4109195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 N4 Pt
Calculated formula	C15 H14 N4 Pt
SMILES	[Pt]1(C2N(c3ncccc3C=2)c2cccc[n]12)([N]#CC)C
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	7.3661 ± 0.0009 Å
b	10.071 ± 0.0012 Å
c	10.636 ± 0.0012 Å
α	113.216 ± 0.001°
β	96.995 ± 0.001°
γ	92.997 ± 0.001°
Cell volume	715.37 ± 0.15 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	0.0241
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.0526
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

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