Crystallography Open Database

Information card for entry 7047902

Preview

Coordinates	7047902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H63 N2 Ni P
Calculated formula	C56 H63 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	10.1181 ± 0.0008 Å
b	13.5337 ± 0.0009 Å
c	19.3762 ± 0.0016 Å
α	108.714 ± 0.003°
β	94.968 ± 0.003°
γ	106.611 ± 0.003°
Cell volume	2361.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	7047902.cif