Crystallography Open Database

Information card for entry 4316795

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Structure parameters

Common name	Tp(iPr)MoO2(OAr-2-CON(Me)Ph)
Formula	C32 H40 B Mo N7 O4
Calculated formula	C32 H40 B Mo N7 O4
SMILES	c1(c(cccc1)C(=O)N(C)c1ccccc1)O[Mo]12([n]3c(ccn3[BH](n3ccc(C(C)C)[n]13)n1ccc(C(C)C)[n]21)C(C)C)(=O)=O
Title of publication	cis-Dioxo- and cis-(Hydroxo)oxo-Mo(V) Complexes Stabilized by Intramolecular Hydrogen-Bonding
Authors of publication	Victor W. L. Ng; Michelle K. Taylor; Jonathan M. White; Charles G. Young
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9460 - 9469
a	8.7355 ± 0.0008 Å
b	11.2816 ± 0.0009 Å
c	17.2653 ± 0.0012 Å
α	92.468 ± 0.006°
β	97.569 ± 0.007°
γ	103.852 ± 0.008°
Cell volume	1632.7 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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