Crystallography Open Database

Information card for entry 4077792

Preview

Coordinates	4077792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C194 H120 Cl4 Cu12 Pt6
Calculated formula	C194.08 H120 Cl4 Cu12 Pt6
Title of publication	Unprecedented Pt−Pt Bonded Trimer {[Pt2Cu4(C⋮CPh)8]}3Showing Unusual Near-Infrared Luminescence
Authors of publication	Charmant, Jonathan P. H.; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Merino, Rosa I.; Moreno, M. Teresa; Orpen, A. Guy
Journal of publication	Organometallics
Year of publication	1999
Journal volume	18
Journal issue	17
Pages of publication	3353
a	16.1431 ± 0.0019 Å
b	16.1431 ± 0.0019 Å
c	32.538 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8479.4 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	126
Hermann-Mauguin space group symbol	P 4/n n c :2
Hall space group symbol	-P 4a 2bc
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.662
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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