Crystallography Open Database

Information card for entry 7241695

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Coordinates	7241695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H66 Mo N3 O4
Calculated formula	C49 H66 Mo N3 O4
Title of publication	A biradical oxo-molybdenum complex containing semiquinone and o-aminophenol benzoxazole-based ligands
Authors of publication	Nasibipour, Mina; Safaei, Elham; Wojtczak, Andrzej; Jagličić, Zvonko; Galindo, Agustín; Masoumpour, Marzieh Sadat
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	67
Pages of publication	40853 - 40866
a	10.6437 ± 0.0004 Å
b	14.3165 ± 0.001 Å
c	16.2402 ± 0.0011 Å
α	96.269 ± 0.006°
β	104.683 ± 0.005°
γ	96.637 ± 0.005°
Cell volume	2353 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1407
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.2086
Weighted residual factors for all reflections included in the refinement	0.2612
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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