Crystallography Open Database

Information card for entry 1544975

Preview

Coordinates	1544975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 F6 Ga N2 O6 S2
Calculated formula	C23 H25 F6 Ga N2 O6 S2
SMILES	[GaH](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.
Authors of publication	Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	5
Pages of publication	1406 - 1412
a	12.2187 ± 0.001 Å
b	15.2841 ± 0.0013 Å
c	15.7675 ± 0.0013 Å
α	90°
β	102.522 ± 0.004°
γ	90°
Cell volume	2874.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
191664 (current)	2017-02-04	cif/ Updating files of 1544973, 1544974, 1544975, 1544976, 1544977 Original log message: Adding full bibliography for 1544973--1544977.cif.	1544975.cif
189748	2017-01-02	cif/ Adding structures of 1544973, 1544974, 1544975, 1544976, 1544977 via cif-deposit CGI script.	1544975.cif