Crystallography Open Database

Information card for entry 7126473

Preview

Coordinates	7126473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 Br2 N2 Ni O3.5 P2
Calculated formula	C26 H44 Br2 N2 Ni O3.5 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	8.2836 ± 0.0006 Å
b	11.8373 ± 0.0009 Å
c	16.2323 ± 0.001 Å
α	93.988 ± 0.003°
β	96.686 ± 0.004°
γ	93.178 ± 0.003°
Cell volume	1573.77 ± 0.19 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1618
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7126473.cif
251385	2020-05-02	cif/ Adding structures of 7126471, 7126472, 7126473 via cif-deposit CGI script.	7126473.cif