Crystallography Open Database

Information card for entry 7701459

Preview

Coordinates	7701459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H31 Cl N3 P Pd S
Calculated formula	C38 H31 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	14.2704 ± 0.0011 Å
b	12.0045 ± 0.0008 Å
c	21.2465 ± 0.0016 Å
α	90°
β	109.283 ± 0.002°
γ	90°
Cell volume	3435.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0319
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	7701459.cif