Crystallography Open Database

Information card for entry 4086495

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Coordinates	4086495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H80 B Cl6 F12 N9 Pb Pt2
Calculated formula	C89 H80 B Cl6 F12 N9 Pb Pt2
Title of publication	Structural and Photophysical Study on Alkynyl Cyclometalated Pt2Pb2and Pt2Pb Clusters
Authors of publication	Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago
Journal of publication	Organometallics
Year of publication	2016
a	12.7567 ± 0.0003 Å
b	15.2714 ± 0.0004 Å
c	22.8713 ± 0.0004 Å
α	87.901 ± 0.001°
β	82.966 ± 0.001°
γ	84.314 ± 0.001°
Cell volume	4398.97 ± 0.17 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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