Crystallography Open Database

Information card for entry 7720353

7720352 << 7720353 >> 7720354

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Coordinates	7720353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 B Cl5 Mo N4
Calculated formula	C27 H27 B Cl5 Mo N4
Title of publication	Molybdenum(VI) borano-imido complexes and their application as Lewis acid catalysts in homocoupling of diazo compounds
Authors of publication	Škoch, Karel; Buziková, Michaela; Jakubczyk, Michal; Pattanamcheril Anilkumar, Krishna; Demel, Jan; Litecká, Miroslava
Journal of publication	Dalton Transactions
Year of publication	2026
a	13.9751 ± 0.0004 Å
b	10.6445 ± 0.0002 Å
c	19.6815 ± 0.0005 Å
α	90°
β	92.883 ± 0.002°
γ	90°
Cell volume	2924.07 ± 0.12 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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