Crystallography Open Database

Information card for entry 1516599

Preview

Coordinates	1516599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H72 Cl2 In2 N4 Si8
Calculated formula	C24 H72 Cl2 In2 N4 Si8
SMILES	[In]1([Cl][In]([Cl]1)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	A Lewis acid/metal amide hybrid as an efficient catalyst for carbon‒carbon bond formation
Authors of publication	Yamashita, Yasuhiro; Saito, Yuki; Imaizumi, Takaki; Kobayashi, Shū
Journal of publication	Chem. Sci.
Year of publication	2014
Journal volume	5
Journal issue	10
Pages of publication	3958
a	8.9952 ± 0.0011 Å
b	12.0644 ± 0.0013 Å
c	23.969 ± 0.003 Å
α	80.621 ± 0.003°
β	83.006 ± 0.004°
γ	66.929 ± 0.003°
Cell volume	2356.3 ± 0.5 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516599.cif
123379	2014-09-08	cif/ Updating files of 1516599 Original log message: Adding full bibliography for 1516599.cif.	1516599.cif
116412	2014-06-11	cif/ Adding structures of 1516599 via cif-deposit CGI script.	1516599.cif