Crystallography Open Database

Information card for entry 4070037

Preview

Coordinates	4070037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H48 Cl2 O4 P4 Pt W
Calculated formula	C63 H48 Cl2 O4 P4 Pt W
Title of publication	A Metal-Templated 4 + 2 Cycloaddition Reaction of an Alkyne and a Diyne To Form a 1,2-Aryne
Authors of publication	Tsui, Jordan A.; Sterenberg, Brian T.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	4906
a	13.8977 ± 0.0012 Å
b	14.239 ± 0.0012 Å
c	16.127 ± 0.0014 Å
α	93.484 ± 0.001°
β	100.411 ± 0.001°
γ	96.842 ± 0.001°
Cell volume	3105.4 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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