Crystallography Open Database

Information card for entry 7222477

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Structure parameters

Formula	C86 H132 O12 V2
Calculated formula	C86 H132 O12 V2
SMILES	c12c(cc(cc1C(c1ccc(C3c4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[V](Oc4c3cc(cc4C(C)(C)C)C(C)(C)C)(=O)([O]3CCCC3)OCCC)cc1)c1c(O[V](=O)(O2)([O]2CCCC2)OCCC)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.O1CCCC1.O1CCCC1
Title of publication	Vanadium(V) tetra-phenolate complexes: Synthesis, structural studies and ethylene homo-(co-)polymerization capability
Authors of publication	Redshaw, Carl; Walton, Mark; Elsegood, Mark Robert James; Prior, Timothy J.; Michiue, Kenji
Journal of publication	RSC Adv.
Year of publication	2015
a	23.8164 ± 0.0016 Å
b	18.9585 ± 0.0007 Å
c	18.6002 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	8398.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	0.913
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7222477.cif
161226	2015-10-09	cif/ Adding structures of 7222477, 7222478, 7222479, 7222480, 7222481, 7222482, 7222483 via cif-deposit CGI script.	7222477.cif