Crystallography Open Database

Information card for entry 4114968

Preview

Coordinates	4114968.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Dipp*In)2
Formula	C60 H74 In2
Calculated formula	C120 H148 In4
SMILES	c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[In][In]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	The "Diindene" ArInInAr (Ar = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-Pri2). Dimeric versus Monomeric In(I) Aryls: para-Substituent Effects in Terphenyl Ligands
Authors of publication	Robert J. Wright; Andrew D. Phillips; Ned J. Hardman; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	8538 - 8539
a	20.648 ± 0.004 Å
b	15.622 ± 0.002 Å
c	16.294 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5255.8 ± 1.6 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	3
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.494
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
178920 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/49.	4114968.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114968.cif
68352	2012-10-25	cif/ Adding structures of 4114968 via cif-deposit CGI script.	4114968.cif