Crystallography Open Database

Information card for entry 7223602

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Structure parameters

Formula	C72 H104 Cl4 O8 V2
Calculated formula	C72 H104 Cl4 O8 V2
Title of publication	Vanadyl phenolate complexes for ring opening homo- and co-polymerisation of epsilon-caprolactone, L-lactide and rac-lactide
Authors of publication	Ge, Feijie; Dan, Yi; Al-Khafaji, Yahya; Prior, Timothy J.; Jiang, Long; Elsegood, Mark Robert James; Redshaw, Carl
Journal of publication	RSC Adv.
Year of publication	2015
a	11.0268 ± 0.0007 Å
b	19.1028 ± 0.0013 Å
c	70.103 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	14766.7 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1055
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.2001
Weighted residual factors for all reflections included in the refinement	0.2248
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7223602.cif
171718	2015-12-23	cif/ Adding structures of 7223601, 7223602, 7223603, 7223604, 7223605, 7223606 via cif-deposit CGI script.	7223602.cif