Crystallography Open Database

Information card for entry 7117766

Preview

Coordinates	7117766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H162 Ag3 F18 N18 P3
Calculated formula	C168 H162 Ag3 F18 N18 P3
Title of publication	First homoleptic MIC and heteroleptic NHC-MIC coordination cages from 1,3,5-triphenylbenzene-bridged tris-MIC and tris-NHC ligands.
Authors of publication	Mejuto, Carmen; Guisado-Barrios, Gregorio; Gusev, Dmitry; Peris, Eduardo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	73
Pages of publication	13914 - 13917
a	35.4661 ± 0.0016 Å
b	35.4661 ± 0.0016 Å
c	26.194 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	28534 ± 3 Å³
Cell temperature	150 ± 0.14 K
Ambient diffraction temperature	150 ± 0.14 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.1282
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.2561
Weighted residual factors for all reflections included in the refinement	0.2886
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
154898 (current)	2015-09-06	cif/ Adding structures of 7117766 via cif-deposit CGI script.	7117766.cif