Crystallography Open Database

Information card for entry 7701853

Preview

Coordinates	7701853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H57 Mo18 N8 O59 Sb3
Calculated formula	C25 H52 Mo18 N8 O59 Sb3
Title of publication	Highly efficient MoIV3•••SbIII cluster frustrated Lewis pair hydrogenation
Authors of publication	yu, fang; Xu, Li
Journal of publication	Dalton Transactions
Year of publication	2019
a	17.6129 ± 0.0006 Å
b	20.4536 ± 0.0005 Å
c	20.3947 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7347.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.265
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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