Crystallography Open Database

Information card for entry 7034806

Preview

Coordinates	7034806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 F3 Ga N2 O
Calculated formula	C12 H10 F3 Ga N2 O
SMILES	c1ccc2c3c4c(cc2)ccc[n]4[Ga](F)(F)(F)([OH2])[n]13
Title of publication	Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.
Authors of publication	Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	20
Pages of publication	9569 - 9580
a	8.3906 ± 0.0005 Å
b	7.194 ± 0.0005 Å
c	19.0124 ± 0.0013 Å
α	90°
β	100.631 ± 0.003°
γ	90°
Cell volume	1127.93 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
138659 (current)	2015-06-07	cif/ Updating files of 7034798, 7034799, 7034800, 7034801, 7034802, 7034803, 7034804, 7034805, 7034806 Original log message: Adding full bibliography for 7034798--7034806.cif.	7034806.cif
135856	2015-05-09	cif/ Adding structures of 7034798, 7034799, 7034800, 7034801, 7034802, 7034803, 7034804, 7034805, 7034806 via cif-deposit CGI script.	7034806.cif