Crystallography Open Database

Information card for entry 7047904

Preview

Coordinates	7047904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H28 F5 N2 Ni P
Calculated formula	C41 H28 F5 N2 Ni P
Title of publication	New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene
Authors of publication	Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.
Journal of publication	Dalton Transactions
Year of publication	2018
a	13.1214 ± 0.0007 Å
b	8.8622 ± 0.0004 Å
c	31.0382 ± 0.0015 Å
α	90°
β	101.361 ± 0.002°
γ	90°
Cell volume	3538.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
211649 (current)	2018-10-26	cif/ Adding structures of 7047893, 7047894, 7047895, 7047896, 7047897, 7047898, 7047899, 7047900, 7047901, 7047902, 7047903, 7047904, 7047905, 7047906, 7047907 via cif-deposit CGI script.	7047904.cif