Crystallography Open Database

Information card for entry 7712302

Preview

Coordinates	7712302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 Br2 N4 O2 Pd
Calculated formula	C36 H44 Br2 N4 O2 Pd
Title of publication	Versatile halogenation <i>via</i> a C<sub>NHC</sub>^C<sub>sp3</sub> palladacycle intermediate.
Authors of publication	Teng, Qiaoqiao; Liu, Ziwei; Song, Haobin; Liu, Jiayu; Zhao, Yaru; Jiang, Weihua; Huynh, Han Vinh; Meng, Qi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	8
Pages of publication	2223 - 2226
a	9.5373 ± 0.0005 Å
b	12.3311 ± 0.0007 Å
c	16.2241 ± 0.0009 Å
α	93.233 ± 0.002°
β	92.079 ± 0.002°
γ	110.721 ± 0.002°
Cell volume	1778.55 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0614
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
283242 (current)	2023-05-05	cif/ Updating files of 7712302, 7712303, 7712304 Original log message: Adding full bibliography for 7712302--7712304.cif.	7712302.cif
280995	2023-02-20	cif/ Adding structures of 7712302, 7712303, 7712304 via cif-deposit CGI script.	7712302.cif