Crystallography Open Database

Information card for entry 7048506

Preview

Coordinates	7048506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.81 H37.43 Cl0.19 N Ni O P
Calculated formula	C25.8085 H37.4255 Cl0.1915 N Ni O P
Title of publication	POCN Ni(ii) pincer complexes: synthesis, characterization and evaluation of catalytic hydrosilylation and hydroboration activities.
Authors of publication	Gudun, Kristina A.; Segizbayev, Medet; Adamov, Assyl; Plessow, Philipp N.; Lyssenko, Konstantin A.; Balanay, Mannix P.; Khalimon, Andrey Y.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1732 - 1746
a	28.3028 ± 0.0016 Å
b	12.4428 ± 0.0007 Å
c	14.4107 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5075 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
223994 (current)	2019-11-07	cif/ Updating files of 7048505, 7048506, 7048507, 7048508 Original log message: Adding full bibliography for 7048505--7048508.cif.	7048506.cif
212953	2019-01-11	cif/ Adding structures of 7048505, 7048506, 7048507, 7048508 via cif-deposit CGI script.	7048506.cif