Crystallography Open Database

Information card for entry 7243197

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Coordinates	7243197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 Mo N2 O S4
Calculated formula	C17 H24 Mo N2 O S4
Title of publication	Interligand communication in a metal mediated LL′CT system ‒ a case study
Authors of publication	Dille, Sara A.; Colston, Kyle J.; Ratvasky, Stephen C.; Pu, Jingzhi; Basu, Partha
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	39
Pages of publication	24381 - 24386
a	12.6981 ± 0.0001 Å
b	15.8799 ± 0.0002 Å
c	21.2754 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4290.07 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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