Crystallography Open Database

Information card for entry 2243920

Preview

Coordinates	2243920.cif
Structure factors	2243920.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Octa-μ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium
Formula	C82 H60 O10 P4 Pd4 Re2
Calculated formula	C82 H60 O10 P4 Pd4 Re2
SMILES	C(#[O])[Re]1234567C(=O)[Pd]85(C(=O)[Re]59%108(C#[O])(C(=O)[Pd]4%10(C2=O)[P](c2ccccc2)(c2ccccc2)c2ccccc2)([Pd]6(C1=O)(C9=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]7(C5=O)(C3=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of the new palladium complexes tetrakis(1,3-dimethylimidazolium-2-ylidene)palladium(II) hexadecacarbonyltetrarhenium diethyl ether disolvate and octa-μ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium (unknown solvate)
Authors of publication	Shapovalov, Sergey; Tikhonova, Olga; Skabitsky, Ivan
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	10
a	12.9278 ± 0.0004 Å
b	13.5132 ± 0.0005 Å
c	14.1184 ± 0.0005 Å
α	105.983 ± 0.001°
β	108.51 ± 0.001°
γ	106.129 ± 0.001°
Cell volume	2060.1 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0203
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0417
Weighted residual factors for all reflections included in the refinement	0.0423
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
269149 (current)	2021-09-15	cif/ hkl/ Adding structures of 2243919, 2243920 via cif-deposit CGI script.	2243920.cif 2243920.hkl