Crystallography Open Database

Information card for entry 7063443

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Coordinates	7063443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H43 N3 Ni O3 S4
Calculated formula	C43 H43 N3 Ni O3 S4
Title of publication	Chiral metal–dithiocarbamate complexes with pendant phenolic groups: synthesis, crystallographic, photophysical and in silico study
Authors of publication	Patel, Shailykumari K.; Deshmukh, Aniket A.; Kahar, Lata; Raghavaiah, Pallepogu; Singh, Vinay K.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	40
Pages of publication	17472 - 17484
a	8.37 ± 0.02 Å
b	9.63 ± 0.03 Å
c	12.83 ± 0.03 Å
α	84.11 ± 0.1°
β	82.71 ± 0.07°
γ	81.9 ± 0.09°
Cell volume	1012 ± 5 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1733
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1879
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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