Crystallography Open Database

Information card for entry 1556595

Preview

Coordinates	1556595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H47 Ga N2 O
Calculated formula	C38 H47 Ga N2 O
SMILES	[Ga](OC(C)(c1ccccc1)c1ccccc1)(=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C
Title of publication	Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes
Authors of publication	Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.
Journal of publication	Inorganics
Year of publication	2018
Journal volume	6
Pages of publication	28
a	11.5312 ± 0.0003 Å
b	18.7807 ± 0.0005 Å
c	19.0639 ± 0.0005 Å
α	90°
β	100.916 ± 0.003°
γ	90°
Cell volume	4053.85 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0556
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245215 (current)	2019-12-16	cif/ Adding structures of 1556595 via cif-deposit CGI script.	1556595.cif