Crystallography Open Database

Information card for entry 7061924

7061923 << 7061924 >> 7061925

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Coordinates	7061924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 Fe N S2
Calculated formula	C17 H23 Fe N S2
Title of publication	One-pot synthesis of ferrocenyl dithiocarbamates and their application in the detection of Cu2+
Authors of publication	Dong, Junyang; Hu, Jianfeng; Zhang, Hao
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	41
Pages of publication	19834 - 19840
a	8.8003 ± 0.001 Å
b	17.2762 ± 0.0019 Å
c	11.4665 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1743.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0363
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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