Crystallography Open Database

Information card for entry 7704976

Preview

Coordinates	7704976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H25 Br N Ni O P
Calculated formula	C19 H25 Br N Ni O P
SMILES	c12[Ni]3(Br)[P](Oc1cccc2C[NH]3c1ccccc1)(C(C)C)C(C)C
Title of publication	Transfer hydrogenation of aldehydes and ketones catalyzed using an aminophosphinite POCN<sup>H</sup> pincer complex of Ni(ii).
Authors of publication	Segizbayev, Medet; Öztopçu, Özgür; Hayrapetyan, Davit; Shakhman, Dinmukhamed; Lyssenko, Konstantin A.; Khalimon, Andrey Y.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	34
Pages of publication	11950 - 11957
a	10.1976 ± 0.0006 Å
b	15.64 ± 0.0009 Å
c	19.3361 ± 0.0012 Å
α	94.2377 ± 0.0013°
β	101.192 ± 0.0013°
γ	95.8294 ± 0.0013°
Cell volume	2995.8 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0724
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
256106 (current)	2020-09-06	cif/ Updating files of 7704976 Original log message: Adding full bibliography for 7704976.cif.	7704976.cif
254720	2020-08-01	cif/ Adding structures of 7704976 via cif-deposit CGI script.	7704976.cif