Crystallography Open Database

Information card for entry 7720349

7720348 << 7720349 >> 7720350

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Coordinates	7720349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 N2
Calculated formula	C30 H20 N2
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	16.0842 ± 0.0002 Å
b	5.4731 ± 0.0001 Å
c	23.5249 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2070.91 ± 0.05 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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