Crystallography Open Database

Information card for entry 7243965

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Coordinates	7243965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 Br2 N3 Pd
Calculated formula	C16 H17 Br2 N3 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	10.0563 ± 0.0005 Å
b	14.191 ± 0.0009 Å
c	14.2442 ± 0.0009 Å
α	72.709 ± 0.005°
β	72.523 ± 0.005°
γ	72.84 ± 0.005°
Cell volume	1803.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
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
270848 (current)	2021-11-24	cif/ Adding structures of 7243963, 7243964, 7243965 via cif-deposit CGI script.	7243965.cif