Crystallography Open Database

Information card for entry 7055239

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Coordinates	7055239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H104 Br2 Mo6 N4 O17
Calculated formula	C56 H104 Br2 Mo6 N4 O17
Title of publication	New sterically encumbered arylimido hexamolybdates for organic oxidation reactions
Authors of publication	Jangir, Ritambhara; Antony, Rajendran; Murugavel, Ramaswamy
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	2
Pages of publication	1004
a	16.201 ± 0.004 Å
b	19.611 ± 0.005 Å
c	22.481 ± 0.006 Å
α	98.01 ± 0.05°
β	96.77 ± 0.04°
γ	90.14 ± 0.06°
Cell volume	7022 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0683
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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