Crystallography Open Database

Information card for entry 1546245

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Structure parameters

Formula	C34.25 H41.5 Al Cl4.75 N2 Ni
Calculated formula	C34.25 H41.5 Al Cl4.75 N2 Ni
Title of publication	Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation
Authors of publication	Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa
Journal of publication	Catal. Sci. Technol.
Year of publication	2017
a	12.652 ± 0.0001 Å
b	23.843 ± 0.0001 Å
c	12.739 ± 0.0002 Å
α	90°
β	100.858 ± 0.001°
γ	90°
Cell volume	3774.07 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1657
Weighted residual factors for all reflections included in the refinement	0.1841
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6771 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1546245.cif
197539	2017-06-06	cif/ Adding structures of 1546243, 1546244, 1546245 via cif-deposit CGI script.	1546245.cif