Crystallography Open Database

Information card for entry 7245692

Preview

Coordinates	7245692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H25 Br F16 N4 Pd2 S4
Calculated formula	C54 H25 Br F16 N4 Pd2 S4
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	14.509 ± 0.004 Å
b	26.431 ± 0.008 Å
c	13.922 ± 0.004 Å
α	90°
β	108.714 ± 0.004°
γ	90°
Cell volume	5057 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.0852
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7245692.cif