Crystallography Open Database

Information card for entry 4114711

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Coordinates	4114711.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	star-shaped tricluster T1
Formula	C108 H237 F36 N6 O9.5 P15 Re18 Sb6 Se24
Calculated formula	C108 H237 F35.94 N6 O9.5 P15 Re18 Sb5.99 Se24
Title of publication	Built to Order: Molecular Tinkertoys from the [Re6(μ3-Se)8]2+ Clusters
Authors of publication	Bryan K. Roland; Hugh D. Selby; Michael D. Carducci; Zhiping Zheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	3222 - 3223
a	26.493 ± 0.002 Å
b	26.493 ± 0.002 Å
c	37.545 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	22822 ± 4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	9
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.1865
Residual factor for significantly intense reflections	0.091
Weighted residual factors for significantly intense reflections	0.1962
Weighted residual factors for all reflections included in the refinement	0.2792
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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