Crystallography Open Database

Information card for entry 7046517

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Coordinates	7046517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Br N3 Pd
Calculated formula	C26 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	12.6065 ± 0.0006 Å
b	10.0844 ± 0.0004 Å
c	18.474 ± 0.0009 Å
α	90°
β	98.288 ± 0.005°
γ	90°
Cell volume	2324.05 ± 0.19 Å³
Cell temperature	113.8 K
Ambient diffraction temperature	113.8 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	0.0511
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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