Crystallography Open Database

Information card for entry 1543783

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Coordinates	1543783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H36 Cl2 N6 Ni P2
Calculated formula	C17 H36 Cl2 N6 Ni P2
Title of publication	Air-Stable Triazine-Based Ni(II) PNP Pincer Complexes As Catalysts for the Suzuki-Miyaura Cross-Coupling.
Authors of publication	Mastalir, Matthias; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	13
Pages of publication	3186 - 3189
a	18.1927 ± 0.0018 Å
b	14.0509 ± 0.0014 Å
c	21.446 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5482.1 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for significantly intense reflections	2.42
Goodness-of-fit parameter for all reflections included in the refinement	2.13
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
184872 (current)	2016-08-05	cif/ Adding structures of 1543782, 1543783 via cif-deposit CGI script.	1543783.cif