Crystallography Open Database

Information card for entry 7059233

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Coordinates	7059233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 Fe N O0.75 S1.25
Calculated formula	C14 H15 Fe N O0.75 S1.25
Title of publication	New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one
Authors of publication	Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	8
Pages of publication	3268 - 3277
a	18.0711 ± 0.0012 Å
b	5.8758 ± 0.0004 Å
c	12.1915 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1294.52 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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