Crystallography Open Database

Information card for entry 1564649

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Coordinates	1564649.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	((1Z)-N-((2-chlorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene hemi1,4-Dioxane
Formula	C22 H24 Cl Fe N3 O S
Calculated formula	C22 H24 Cl Fe N3 O S
Title of publication	Probing ferrocene-based thiosemicarbazones and their transition metal complexes as cholinesterase inhibitors
Authors of publication	Jawaria, Rifat; Hussain, Mazhar; Ahmad, Hafiz Badaruddin; Ashraf, Muhammad; Hussain, Safdar; Naseer, Muhammad Moazzam; Khalid, Muhamamd; Hussain, Muhammad Ajaz; al-Rashida, Mariya; Tahir, Muhammad Nawaz; Asim, Sumreen; Shafiq, Zahid
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	508
Pages of publication	119658
a	10.4519 ± 0.0006 Å
b	10.9195 ± 0.0006 Å
c	11.3018 ± 0.0008 Å
α	77.556 ± 0.003°
β	62.55 ± 0.002°
γ	74 ± 0.002°
Cell volume	1094.38 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269151 (current)	2021-09-15	cif/ Adding structures of 1564649 via cif-deposit CGI script.	1564649.cif