Crystallography Open Database

Information card for entry 1556281

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Structure parameters

Formula	C24 H34 N O4 V
Calculated formula	C24 H34 N O4 V
SMILES	C(CC)[N]12Cc3c(c(cc(c3)C)C)O[V]2(OC(C)C)(Oc2c(cc(cc2C1)C)C)=O
Title of publication	Amine influence in vanadium-based ethylene polymerisation pro-catalysts bearing bis(phenolate) ligands with ‘pendant’ arms
Authors of publication	Lorber, Christian; Despagnet-Ayoub, Emmanuelle; Vendier, Laure; Arbaoui, Abdessamad; Redshaw, Carl
Journal of publication	Catalysis Science & Technology
Year of publication	2011
Journal volume	1
Journal issue	3
Pages of publication	489
a	8.4832 ± 0.0012 Å
b	11.5025 ± 0.0016 Å
c	24.14 ± 0.003 Å
α	90°
β	94.873 ± 0.012°
γ	90°
Cell volume	2347 ± 0.6 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1833
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1556281.cif
244145	2019-11-28	cif/ Adding structures of 1556281 via cif-deposit CGI script.	1556281.cif