Crystallography Open Database

Information card for entry 1559999

Preview

Coordinates	1559999.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(triphenylphosphine)-tris(phenylthiolate)-bispalladium-ruthenium-hexafluoroantimoniate-dichloromethane
Formula	C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb
Calculated formula	C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb
Title of publication	"Bottled" spiro-doubly aromatic trinuclear [Pd<sub>2</sub>Ru]<sup>+</sup> complexes.
Authors of publication	Kulichenko, Maksim; Fedik, Nikita; Monfredini, Anna; Muñoz-Castro, Alvaro; Balestri, Davide; Boldyrev, Alexander I.; Maestri, Giovanni
Journal of publication	Chemical science
Year of publication	2020
Journal volume	12
Journal issue	1
Pages of publication	477 - 486
a	11.9921 ± 0.0003 Å
b	12.28439 ± 0.00018 Å
c	21.733 ± 0.0005 Å
α	94.518 ± 0.0016°
β	91.0356 ± 0.0018°
γ	101.524 ± 0.0016°
Cell volume	3125.45 ± 0.12 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1658
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267049 (current)	2021-07-05	cif/ Updating files of 1559999 Original log message: Adding full bibliography for 1559999.cif.	1559999.cif
260848	2021-01-08	cif/ Adding structures of 1559999 via cif-deposit CGI script.	1559999.cif