Crystallography Open Database

Information card for entry 7126472

Preview

Coordinates	7126472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H38 Cl2 Ni O2 P2
Calculated formula	C16 H38 Cl2 Ni O2 P2
Title of publication	Unexpected reactivity of a PONNOP 'expanded pincer' ligand.
Authors of publication	Scheerder, Arthur R.; Lutz, Martin; Broere, Daniël L J
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	59
Pages of publication	8198 - 8201
a	7.8506 ± 0.0007 Å
b	8.205 ± 0.0005 Å
c	9.6512 ± 0.0008 Å
α	111.818 ± 0.004°
β	100.304 ± 0.003°
γ	97.698 ± 0.003°
Cell volume	554 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
254909 (current)	2020-08-06	cif/ Updating files of 7126471, 7126472, 7126473 Original log message: Adding full bibliography for 7126471--7126473.cif.	7126472.cif
251385	2020-05-02	cif/ Adding structures of 7126471, 7126472, 7126473 via cif-deposit CGI script.	7126472.cif