Crystallography Open Database

Information card for entry 4116724

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Structure parameters

Chemical name	tris(N-tert-butyl-3,5-dimethylanilido)uranium-m-dinitrogen- tris(N-tert-butyl-anilido)molybdenum
Formula	C66 H96 Mo N8 U
Calculated formula	C66 H96 Mo N8 U
SMILES	[U](N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)N=N[Mo](N(c1ccccc1)C(C)(C)C)(N(c1ccccc1)C(C)(C)C)N(c1ccccc1)C(C)(C)C
Title of publication	Heterodinuclear Uranium/Molybdenum Dinitrogen Complexes
Authors of publication	Aaron L. Odom; Polly L. Arnold; Christopher C. Cummins
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	5836 - 5837
a	10.9037 ± 0.0002 Å
b	15.6529 ± 0.0002 Å
c	20.3828 ± 0.0004 Å
α	71.657 ± 0.001°
β	89.098 ± 0.001°
γ	76.25°
Cell volume	3200.85 ± 0.1 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.061
Weighted residual factors for all reflections	0.1401
Weighted residual factors for significantly intense reflections	0.1255
Goodness-of-fit parameter for all reflections	1.235
Goodness-of-fit parameter for significantly intense reflections	1.194
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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