Crystallography Open Database

Information card for entry 7104516

Preview

Coordinates	7104516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.5 H41 Cl I6 Mo3 P2 S7
Calculated formula	C48.5 H41 Cl I6 Mo3 P2 S7
Title of publication	A three-dimensional adamantane-like nanoscopic cage built from four iodide-bridged triangular Mo3S7 cluster units.
Authors of publication	Falvello, Larry R; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	23
Pages of publication	3440 - 3442
a	18.5189 ± 0.001 Å
b	20.9106 ± 0.0011 Å
c	17.2686 ± 0.0009 Å
α	90°
β	106.822 ± 0.001°
γ	90°
Cell volume	6401 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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