Crystallography Open Database

Information card for entry 2000017

2000016 << 2000017 >> 2000018

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Coordinates	2000017.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Molybdenum sulfide cluster with
Chemical name	octakis(mu!3$-sulfido)-hexakis(4-tert-butylpyridine) -hexa-molybdenum-bis(diethylether)solvate
Formula	C62 H98 Mo6 N6 O2 S8
Calculated formula	C62 H98 Mo6 N6 O2 S8
Title of publication	Synthesis, characterization and properties of Mo6S8(4-tert-butylpyridine)6 and related M6S8L6 cluster complexes (M = Mo, W)
Authors of publication	Jin, Song; Popp, Friedrich; Boettcher, Shannon W.; Yuan, Min; Oertel, Catherine M.; DiSalvo, Francis J.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	16
Pages of publication	3096
a	30.192 ± 0.003 Å
b	9.3346 ± 0.0008 Å
c	27.803 ± 0.002 Å
α	90°
β	103.45 ± 0.003°
γ	90°
Cell volume	7620.8 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.345
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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