Crystallography Open Database

Information card for entry 2000044

2000043 << 2000044 >> 2000045

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Coordinates	2000044.cif

Structure parameters

Formula	C42 H86 N2 P4 S8 W6
Calculated formula	C42 H86 N2 P4 S8 W6
Title of publication	The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters
Authors of publication	Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	9229 - 9240
a	15.8389 ± 0.0012 Å
b	19.4806 ± 0.0014 Å
c	20.0882 ± 0.0015 Å
α	90°
β	95.542 ± 0.002°
γ	90°
Cell volume	6169.27 Å³
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0388
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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