Crystallography Open Database

Information card for entry 4103717

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Structure parameters

Formula	C36 H72 Mo N4
Calculated formula	C36 H72 Mo N4
Title of publication	Diamagnetic Group 6 Tetrakis(di-tert-butylketimido)metal(IV) Complexes
Authors of publication	Rosanna A. D. Soriaga; Jennifer M. Nguyen; Thomas A. Albright; David M. Hoffman
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	18014 - 18016
a	16.5902 ± 0.0008 Å
b	15.6242 ± 0.0008 Å
c	15.5439 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4029.1 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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