Crystallography Open Database

Information card for entry 1556596

Preview

Coordinates	1556596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H47 In N2 O
Calculated formula	C38 H47 In N2 O
SMILES	[In](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	28.4159 ± 0.0012 Å
b	28.4159 ± 0.0012 Å
c	19.2051 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	15507.4 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1532
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
245216 (current)	2019-12-16	cif/ Adding structures of 1556596 via cif-deposit CGI script.	1556596.cif