Crystallography Open Database

Information card for entry 1556594

Preview

Coordinates	1556594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H37 In N2
Calculated formula	C25 H37 In N2
SMILES	C1(N(c2c(cc(cc2C)C)C)CCCN1c1c(cc(cc1C)C)C)=[In](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	9.568 ± 0.0003 Å
b	16.9878 ± 0.0004 Å
c	16.0384 ± 0.0005 Å
α	90°
β	106.868 ± 0.003°
γ	90°
Cell volume	2494.71 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0311
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245214 (current)	2019-12-16	cif/ Adding structures of 1556594 via cif-deposit CGI script.	1556594.cif