Crystallography Open Database

Information card for entry 1576623

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Coordinates	1576623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H50 Br N2 Ni
Calculated formula	C37 H50 Br N2 Ni
Title of publication	Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons
Authors of publication	Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph
Journal of publication	Catalysis Science & Technology
Year of publication	2026
Journal volume	16
Journal issue	4
Pages of publication	1238 - 1249
a	12.2007 ± 0.0004 Å
b	31.66 ± 0.0009 Å
c	10.5824 ± 0.0003 Å
α	90°
β	93.398 ± 0.001°
γ	90°
Cell volume	4080.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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