Crystallography Open Database

Information card for entry 4121854

Preview

Coordinates	4121854.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	FRPCP
Formula	C44 H44 Cu F6 N6 O6 Si
Calculated formula	C44 H44 Cu F6 N6 O6 Si
Title of publication	A crystalline porous coordination polymer decorated with nitroxyl radicals catalyzes aerobic oxidation of alcohols.
Authors of publication	Li, Liangchun; Matsuda, Ryotaro; Tanaka, Iku; Sato, Hiroshi; Kanoo, Prakash; Jeon, Hyung Joon; Foo, Maw Lin; Wakamiya, Atsushi; Murata, Yasujiro; Kitagawa, Susumu
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	21
Pages of publication	7543 - 7546
a	21.682 ± 0.011 Å
b	21.682 ± 0.011 Å
c	15.696 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	7379 ± 6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	108
Hermann-Mauguin space group symbol	I 4 c m
Hall space group symbol	I 4 -2c
Residual factor for all reflections	0.1333
Residual factor for significantly intense reflections	0.1145
Weighted residual factors for significantly intense reflections	0.2258
Weighted residual factors for all reflections included in the refinement	0.2378
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
179020 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/18.	4121854.cif
115825	2014-06-05	cif/ Updating files of 4121853, 4121854 Original log message: Adding full bibliography for 4121853--4121854.cif.	4121854.cif
113988	2014-05-20	cif/ Adding structures of 4121854 via cif-deposit CGI script.	4121854.cif