Crystallography Open Database

Information card for entry 7701457

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Coordinates	7701457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H37 Cl N3 P Pd S
Calculated formula	C42 H37 Cl N3 P Pd S
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	31.1556 ± 0.0006 Å
b	10.4263 ± 0.0002 Å
c	26.4258 ± 0.0005 Å
α	90°
β	120.458 ± 0.001°
γ	90°
Cell volume	7399.5 ± 0.3 Å³
Cell temperature	566 ± 2 K
Ambient diffraction temperature	566 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
220579 (current)	2019-10-31	cif/ Adding structures of 7701456, 7701457, 7701458, 7701459 via cif-deposit CGI script.	7701457.cif