Crystallography Open Database

Information card for entry 7245691

Preview

Coordinates	7245691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H13 Br F10 N2 Pd S2
Calculated formula	C30 H13 Br F10 N2 Pd S2
SMILES	[Pd]1([n]2cccc3ccc4ccc[n]1c4c23)(Sc1c(F)c(F)c(F)c(F)c1F)Sc1c(F)c(F)c(F)c(F)c1F.Brc1ccccc1
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	9.3031 ± 0.0012 Å
b	11.7857 ± 0.0015 Å
c	14.388 ± 0.0018 Å
α	67.053 ± 0.002°
β	79.641 ± 0.002°
γ	76.947 ± 0.002°
Cell volume	1407.8 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7245691.cif