Crystallography Open Database

Information card for entry 4117988

Preview

Coordinates	4117988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H45 B Cu F24 N3
Calculated formula	C61 H45 B Cu F24 N3
Title of publication	Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing
Authors of publication	Conor S. Smith; Kent R. Mann
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	8786 - 8789
a	24.361 ± 0.002 Å
b	20.0178 ± 0.0019 Å
c	25.469 ± 0.002 Å
α	90°
β	106.88 ± 0.002°
γ	90°
Cell volume	11884.9 ± 1.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.1036
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
178950 (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 4/11/79.	4117988.cif
75132	2013-03-08	cif/ Adding structures of 4117988 via cif-deposit CGI script.	4117988.cif