Crystallography Open Database

Information card for entry 7713683

Preview

Coordinates	7713683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 F6 Ga N4 O5 P
Calculated formula	C28 H24 F6 Ga N4 O5 P
SMILES	[Ga]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)Oc1c(C(=O)O)cccc1O3.OC.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Synthesis, characterisation and antibacterial activity of novel Ga(III) polypyridyl catecholate complexes
Authors of publication	More O'Ferrall, Lewis; Piatek, Magdalena; Twamley, Brendan; Kavanagh, Kevin; O'Connor, Christine; Griffith, Darren Martin
Journal of publication	Dalton Transactions
Year of publication	2023
a	24.412 ± 0.002 Å
b	9.5067 ± 0.0008 Å
c	23.7787 ± 0.0019 Å
α	90°
β	93.72 ± 0.002°
γ	90°
Cell volume	5506.9 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1044
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285591 (current)	2023-08-09	cif/ Adding structures of 7713683, 7713684, 7713685, 7713686 via cif-deposit CGI script.	7713683.cif