Crystallography Open Database

Information card for entry 7047895

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Structure parameters

Formula	C17 H9 F5 N2
Calculated formula	C17 H9 F5 N2
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	4.7922 ± 0.0001 Å
b	13.7718 ± 0.0003 Å
c	20.841 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1375.45 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7047895.cif
211649	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.	7047895.cif