Crystallography Open Database

Information card for entry 7057427

Preview

Coordinates	7057427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 N4 S
Calculated formula	C12 H14 N4 S
Title of publication	Synthesis, structures and mechanistic pathways of anticancer activity of palladium(ii) complexes with indole-3-carbaldehyde thiosemicarbazones
Authors of publication	Haribabu, Jebiti; Tamizh, Manoharan Muthu; Balachandran, Chandrasekar; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Endo, Akira; Karvembu, Ramasamy
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	13
Pages of publication	10818
a	15.073 ± 0.005 Å
b	4.9158 ± 0.0016 Å
c	16.419 ± 0.005 Å
α	90°
β	99.242 ± 0.004°
γ	90°
Cell volume	1200.8 ± 0.7 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
230385 (current)	2019-11-17	cif/ Updating files of 7057427, 7057428, 7057429, 7057430, 7057431, 7057432 Original log message: Adding full bibliography for 7057427--7057432.cif.	7057427.cif
207711	2018-05-09	cif/ Adding structures of 7057427, 7057428, 7057429, 7057430, 7057431, 7057432 via cif-deposit CGI script.	7057427.cif