Crystallography Open Database

Information card for entry 7046791

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Coordinates	7046791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H59 F24 Fe N2 S4
Calculated formula	C72 H59 F24 Fe N2 S4
Title of publication	Easily reduced bis-pincer (NS<sub>2</sub>)<sub>2</sub>molybdenum(iv) to (NHS<sub>2</sub>)<sub>2</sub>Mo(ii) by alcohols vs. redox-inert (NS<sub>2</sub>)(NHS<sub>2</sub>)iron(iii) complexes.
Authors of publication	Robles-Marín, Elvis; Mondragón, Alexander; Martínez-Alanis, Paulina R; Aullón, Gabriel; Flores-Alamo, Marcos; Castillo, Ivan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	32
Pages of publication	10932 - 10940
a	19.3861 ± 0.0008 Å
b	17.6799 ± 0.0004 Å
c	23.8394 ± 0.0007 Å
α	90°
β	108.5 ± 0.004°
γ	90°
Cell volume	7748.6 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1477
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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