Crystallography Open Database

Information card for entry 7245694

Preview

Coordinates	7245694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H10 F8 N2 Pd S2
Calculated formula	C24 H10 F8 N2 Pd S2
SMILES	[Pd]1([n]2cccc3ccc4c([n]1ccc4)c23)(Sc1c(c(cc(c1F)F)F)F)Sc1c(c(cc(c1F)F)F)F
Title of publication	Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism
Authors of publication	Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon
Journal of publication	CrystEngComm
Year of publication	2022
a	21.8004 ± 0.0015 Å
b	7.7043 ± 0.0005 Å
c	27.2357 ± 0.0019 Å
α	90°
β	104.64 ± 0.001°
γ	90°
Cell volume	4425.9 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0748
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
278672 (current)	2022-10-21	cif/ Adding structures of 7245691, 7245692, 7245693, 7245694, 7245695 via cif-deposit CGI script.	7245694.cif