Crystallography Open Database

Information card for entry 4113518

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Coordinates	4113518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H88 O20 P4 Sn6
Calculated formula	C60 H88 O20 P4 Sn6
Title of publication	A New Structural Form of Tin in a Double O-Capped Cluster
Authors of publication	Vadapalli Chandrasekhar; Viswanathan Baskar; Jagadese J. Vittal
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	2392 - 2393
a	16.9713 ± 0.0007 Å
b	15.6743 ± 0.0006 Å
c	14.2523 ± 0.0006 Å
α	90°
β	105.555 ± 0.001°
γ	90°
Cell volume	3652.4 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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