Crystallography Open Database

Information card for entry 4089284

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Coordinates	4089284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 N Ni0.5 S
Calculated formula	C4 H8 N Ni0.5 S
Title of publication	Discrete Air-Stable Nickel(II)‒Palladium(II) Complexes as Catalysts for Suzuki‒Miyaura Reactions
Authors of publication	Zhao, Tiankun; Ghosh, Pokhraj; Martinez, Zachary; Liu, Xufeng; Meng, Xianggao; Darensbourg, Marcetta Y.
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	9
Pages of publication	1822
a	15.444 ± 0.01 Å
b	7.248 ± 0.006 Å
c	9.692 ± 0.007 Å
α	90°
β	109.616 ± 0.011°
γ	90°
Cell volume	1021.9 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0576
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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