Crystallography Open Database

Information card for entry 7701386

Preview

Coordinates	7701386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 Cl Fe N3 Pd
Calculated formula	C23 H20 Cl Fe N3 Pd
Title of publication	Ferrocenyl palladacycles derived from unsymmetrical pincer-type ligands: Evidences of Pd(0) nanoparticles generation during Suzuki-Miyaura reaction and applications in direct arylation of thiazole and isoxazole
Authors of publication	Maji, Ankur; Singh, Anshu; Mohanty, Aurobinda; Maji, Pradip K.; Ghosh, Kaushik
Journal of publication	Dalton Transactions
Year of publication	2019
a	8.874 ± 0.0007 Å
b	10.5965 ± 0.0008 Å
c	11.6557 ± 0.0009 Å
α	85.319 ± 0.004°
β	75.046 ± 0.004°
γ	70.671 ± 0.004°
Cell volume	999.21 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0375
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.193
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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