Crystallography Open Database

Information card for entry 7045841

Preview

Coordinates	7045841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H43 F6 N3 O3 P2 Ru S
Calculated formula	C40 H43 F6 N3 O3 P2 Ru 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	12.0576 ± 0.0002 Å
b	22.1214 ± 0.0004 Å
c	15.1116 ± 0.0003 Å
α	90°
β	95.332 ± 0.0016°
γ	90°
Cell volume	4013.29 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
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	0.05
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	7045841.cif
206919	2018-03-13	cif/ Adding structures of 7045840, 7045841, 7045842, 7045843, 7045844 via cif-deposit CGI script.	7045841.cif