Crystallography Open Database

Information card for entry 7057524

Preview

Coordinates	7057524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C196 H224 Br7.63 Ga1.63 O10 P12 S8 W6
Calculated formula	C192 H216 Br7.626 Ga1.626 O9 P12 S8 W6
Title of publication	The first heterocubane cluster with a [W3GaS4] core
Authors of publication	Petrov, Pavel A.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Sukhikh, Taisiya S.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	15
Pages of publication	12349
a	41.4088 ± 0.0013 Å
b	18.0186 ± 0.0006 Å
c	28.4195 ± 0.0009 Å
α	90°
β	110.516 ± 0.001°
γ	90°
Cell volume	19859.7 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0559
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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