Crystallography Open Database

Information card for entry 4308179

Preview

Coordinates	4308179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H50 Br In N2
Calculated formula	C33 H50 Br In N2
SMILES	[In]1(Br)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C(C)(C)C
Title of publication	Oxidative Addition Reactions of Alkyl Halides with the Group 13 Carbene Analogue [In{N(Dipp)C(Me)}2CH] (Dipp = 2,6-iPr2C6H3)
Authors of publication	Michael S. Hill; Peter B. Hitchcock; Ruti Pongtavornpinyo
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3783 - 3788
a	10.2964 ± 0.0002 Å
b	27.2575 ± 0.0004 Å
c	12.2832 ± 0.0003 Å
α	90°
β	106.063 ± 0.001°
γ	90°
Cell volume	3312.74 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0818
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	0.86
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
179119 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/81.	4308179.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4308179.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308179.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308179.cif