Crystallography Open Database

Information card for entry 7710869

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Coordinates	7710869.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	vanadium biphenolate
Formula	C64 H104 Li2 O10 V
Calculated formula	C64 H104 Li2 O10 V
Title of publication	Synthesis, Crystal Structure, EPR, and DFT Studies of an Unusually Distorted Vanadium(II) Complex
Authors of publication	Bonitatibus, Peter John; Alvarez, Santiago; Armstrong, William H.; Baldansuren, Amgalanbaatar; Gaspard, Mallory E.; Lakshmi, K. V.; Ziegler, Micah S.; Charles, Philip
Journal of publication	Dalton Transactions
Year of publication	2022
a	23.4271 ± 0.0004 Å
b	11.91406 ± 0.0002 Å
c	22.8582 ± 0.0004 Å
α	90°
β	95.9647 ± 0.0014°
γ	90°
Cell volume	6345.45 ± 0.19 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
277006 (current)	2022-07-30	cif/ Adding structures of 7710868, 7710869 via cif-deposit CGI script.	7710869.cif