Crystallography Open Database

Information card for entry 1544977

Preview

Coordinates	1544977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H30 Ga N5
Calculated formula	C24.5 H30 Ga N5
SMILES	[GaH2](N=N#N)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1(ccccc1)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	18.7477 ± 0.0005 Å
b	8.4344 ± 0.0002 Å
c	15.3559 ± 0.0004 Å
α	90°
β	95.0657 ± 0.0017°
γ	90°
Cell volume	2418.68 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0865
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.1905
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1544977.cif
189748	2017-01-02	cif/ Adding structures of 1544973, 1544974, 1544975, 1544976, 1544977 via cif-deposit CGI script.	1544977.cif