Crystallography Open Database

Information card for entry 7045842

Preview

Coordinates	7045842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 F6 N6 O3 P Pd S
Calculated formula	C26 H25 F6 N6 O3 P Pd S
Title of publication	Anti-tumour active gold(i), palladium(ii) and ruthenium(ii) complexes with thio- and selenoureato ligands: a comparative study.
Authors of publication	Molter, Anja; Kathrein, Stefanie; Kircher, Brigitte; Mohr, Fabian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	14
Pages of publication	5055 - 5064
a	9.4469 ± 0.0004 Å
b	11.9984 ± 0.0005 Å
c	13.5026 ± 0.0006 Å
α	73.297 ± 0.004°
β	86.79 ± 0.003°
γ	78.665 ± 0.003°
Cell volume	1437.32 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
229777 (current)	2019-11-17	cif/ Updating files of 7045840, 7045841, 7045842, 7045843, 7045844 Original log message: Adding full bibliography for 7045840--7045844.cif.	7045842.cif
206919	2018-03-13	cif/ Adding structures of 7045840, 7045841, 7045842, 7045843, 7045844 via cif-deposit CGI script.	7045842.cif