Crystallography Open Database

Information card for entry 1567971

Preview

Coordinates	1567971.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[VO(TrPP)]2
Chemical name	((m2-5,5',10,10',15,15'-triphenyl-20,20'-bisporphyrinato)-di-oxovanadium(iv))
Formula	C19 H11.5 N2 O0.5 V0.5
Calculated formula	C19 H11.5 N2 O0.5 V0.5
Title of publication	An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.
Authors of publication	Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta
Journal of publication	Chemical science
Year of publication	2022
Journal volume	14
Journal issue	1
Pages of publication	61 - 69
a	20.8648 ± 0.0013 Å
b	27.1717 ± 0.0013 Å
c	11.4881 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6513 ± 0.6 Å³
Cell temperature	104 K
Ambient diffraction temperature	104 K
Number of distinct elements	5
Space group number	37
Hermann-Mauguin space group symbol	C c c 2
Hall space group symbol	C 2 -2c
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.218
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281341 (current)	2023-03-04	cif/ Updating files of 1567970, 1567971, 1567972 Original log message: Adding full bibliography for 1567970--1567972.cif.	1567971.cif
279268	2022-11-15	cif/ Adding structures of 1567970, 1567971, 1567972 via cif-deposit CGI script.	1567971.cif