Crystallography Open Database

Information card for entry 7704742

Preview

Coordinates	7704742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H96 Cl3 N12 O2 Pt4 S4
Calculated formula	C103 H96 Cl3 N12 O2 Pt4 S4
Title of publication	Novel tetranuclear Pd<sup>II</sup> and Pt<sup>II</sup> anticancer complexes derived from pyrene thiosemicarbazones.
Authors of publication	Oliveira, Carolina G.; Romero-Canelón, Isolda; Coverdale, James P. C.; Maia, Pedro Ivo S.; Clarkson, Guy J.; Deflon, Victor M.; Sadler, Peter J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	28
Pages of publication	9595 - 9604
a	18.8631 ± 0.0008 Å
b	26.4584 ± 0.0012 Å
c	21.3233 ± 0.0008 Å
α	90°
β	91.045 ± 0.003°
γ	90°
Cell volume	10640.4 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1518
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1772
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
254963 (current)	2020-08-06	cif/ Updating files of 7704742 Original log message: Adding full bibliography for 7704742.cif.	7704742.cif
253596	2020-07-01	cif/ Adding structures of 7704742 via cif-deposit CGI script.	7704742.cif