Crystallography Open Database

Information card for entry 4114970

Preview

Coordinates	4114970.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	B*InBArF
Formula	C61 H57 B F15 In
Calculated formula	C61 H57 B F15 In
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	12.7252 ± 0.0011 Å
b	20.684 ± 0.002 Å
c	21.7198 ± 0.0018 Å
α	90°
β	106.729 ± 0.003°
γ	90°
Cell volume	5474.9 ± 0.8 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	0.898
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4114970.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114970.cif
68354	2012-10-25	cif/ Adding structures of 4114970 via cif-deposit CGI script.	4114970.cif