Crystallography Open Database

Information card for entry 7701458

Preview

Coordinates	7701458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 N6 S2
Calculated formula	C40 H34 N6 S2
Title of publication	Palladium (II) complexes with thiosemicarbazones derived from pyrene as topoisomerase IB inhibitors
Authors of publication	Oliveira, Carolina Gonçalves; Romero-Canelon, Isolda; Silva, Monize M.; Coverdale, James; da Silva Maia, Pedro Ivo; Batista, Alzir A.; Castelli, Silvia; Desideri, Alessandro; Sadler, Peter J.; Deflon, Victor Marcelo Marcelo
Journal of publication	Dalton Transactions
Year of publication	2019
a	7.8769 ± 0.0003 Å
b	8.6861 ± 0.0003 Å
c	26.3559 ± 0.001 Å
α	94.574 ± 0.002°
β	92.802 ± 0.002°
γ	112.551 ± 0.002°
Cell volume	1653.88 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1521
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
220579 (current)	2019-10-31	cif/ Adding structures of 7701456, 7701457, 7701458, 7701459 via cif-deposit CGI script.	7701458.cif