Crystallography Open Database

Information card for entry 1570524

Preview

Coordinates	1570524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H40 N Ni O P
Calculated formula	C45 H40 N Ni O P
SMILES	[Ni]1([N](=Cc2ccc3ccccc3c2O1)c1c(cc(cc1C)C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1C
Title of publication	Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes
Authors of publication	Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	4
Pages of publication	292 - 302
a	9.3181 ± 0.0012 Å
b	10.1498 ± 0.0012 Å
c	19.648 ± 0.002 Å
α	103.844 ± 0.004°
β	97.992 ± 0.005°
γ	92.327 ± 0.004°
Cell volume	1781.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0586
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
289647 (current)	2024-02-04	cif/ Updating files of 1570522, 1570523, 1570524 Original log message: Adding full bibliography for 1570522--1570524.cif.	1570524.cif
288109	2023-12-07	cif/ Adding structures of 1570522, 1570523, 1570524 via cif-deposit CGI script.	1570524.cif