Crystallography Open Database

Information card for entry 7047900

Preview

Coordinates	7047900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 N3
Calculated formula	C27 H29 N3
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	13.74 ± 0.02 Å
b	8.779 ± 0.015 Å
c	22.72 ± 0.04 Å
α	90°
β	104.18 ± 0.07°
γ	90°
Cell volume	2657 ± 8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
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	0.2302
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2178
Weighted residual factors for all reflections included in the refinement	0.2684
Goodness-of-fit parameter for all reflections included in the refinement	0.866
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.	7047900.cif