Crystallography Open Database

Information card for entry 7046516

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Coordinates	7046516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Br N3 Pd
Calculated formula	C24 H26 Br N3 Pd
Title of publication	A palladacyclic N-heterocyclic carbene system used to probe the donating abilities of monoanionic chelators.
Authors of publication	Yan, Xuechao; Feng, Rui; Yan, Chunhui; Lei, Peng; Guo, Shuai; Huynh, Han Vinh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	23
Pages of publication	7830 - 7838
a	12.7217 ± 0.0003 Å
b	10.2318 ± 0.0003 Å
c	17.5246 ± 0.0004 Å
α	90°
β	102.488 ± 0.002°
γ	90°
Cell volume	2227.14 ± 0.1 Å³
Cell temperature	101.8 K
Ambient diffraction temperature	101.8 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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