Crystallography Open Database

Information card for entry 7243963

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Coordinates	7243963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Br2 N5 Pd
Calculated formula	C24 H19 Br2 N5 Pd
Title of publication	C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes
Authors of publication	Çakır, Sinem; Kavukcu, Serdar Batıkan; Karabıyık, Hande; Rethinam, Senthil; Türkmen, Hayati
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	60
Pages of publication	37684 - 37699
a	18.6682 ± 0.0012 Å
b	15.9603 ± 0.0013 Å
c	8.1346 ± 0.0005 Å
α	90°
β	94.651 ± 0.006°
γ	90°
Cell volume	2415.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
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
270848 (current)	2021-11-24	cif/ Adding structures of 7243963, 7243964, 7243965 via cif-deposit CGI script.	7243963.cif