Crystallography Open Database

Information card for entry 7156736

Preview

Coordinates	7156736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H110 N24 Ni6 O9 S12
Calculated formula	C81 H108 N24 Ni6 O9 S12
Title of publication	Reaction condition controlled nickel(ii)-catalyzed C-C cross-coupling of alcohols.
Authors of publication	Zhang, Meng-Juan; Li, Hong-Xi; Young, David J.; Li, Hai-Yan; Lang, Jian-Ping
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	14
Pages of publication	3567 - 3574
a	20.6684 ± 0.0013 Å
b	20.6684 ± 0.0013 Å
c	24.235 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	8965.8 ± 1.1 Å³
Cell temperature	216 ± 2 K
Ambient diffraction temperature	216 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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