Crystallography Open Database

Information card for entry 4086697

Preview

Coordinates	4086697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 In2 O2
Calculated formula	C32 H38 In2 O2
SMILES	[In]1([O]([In]([O]1C(C)(c1ccccc1)c1ccccc1)(C)C)C(C)(c1ccccc1)c1ccccc1)(C)C
Title of publication	Effect of In‒CNHCBonds on the Synthesis, Structure, and Reactivity of Dialkylindium Alkoxides: How Indium Compares to Gallium
Authors of publication	Cybularczyk, Martyna; Dranka, Maciej; Zachara, Janusz; Horeglad, Paweł
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	19
Pages of publication	3311
a	11.8169 ± 0.0004 Å
b	15.126 ± 0.0004 Å
c	16.9399 ± 0.0005 Å
α	90°
β	102.529 ± 0.003°
γ	90°
Cell volume	2955.77 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 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	0.0329
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
187944 (current)	2016-11-06	cif/ Updating files of 4086693, 4086694, 4086695, 4086696, 4086697, 4086698 Original log message: Adding full bibliography for 4086693--4086698.cif.	4086697.cif
186797	2016-09-28	cif/ Adding structures of 4086697 via cif-deposit CGI script.	4086697.cif