Crystallography Open Database

Information card for entry 7716958

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Coordinates	7716958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 F2 N4 Ni S4
Calculated formula	C28 H24 F2 N4 Ni S4
Title of publication	Dithiocarbamate-based novel anti-histaminic agents: synthesis, characterization, crystal structure and thermal study.
Authors of publication	Singh, Anupam; Kumar, Rajesh; Patel, Riya; Trishna, ?; Gautam, Ram Nayan; Bharty, M. K.; Prasad, Lal Bahadur
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	33
Pages of publication	14077 - 14088
a	6.6417 ± 0.0002 Å
b	8.0504 ± 0.0003 Å
c	26.8952 ± 0.001 Å
α	90°
β	96.149 ± 0.003°
γ	90°
Cell volume	1429.77 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0696
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294366 (current)	2024-09-04	cif/ Adding structures of 7716957, 7716958 via cif-deposit CGI script.	7716958.cif