Crystallography Open Database

Information card for entry 7118453

Preview

Coordinates	7118453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H58 Cu7 I6 N22 O2
Calculated formula	C78 H44 Cu7 I6 N22 O2
Title of publication	Porphyrin-based mixed-valent Ag(I)/Ag(II) and Cu(I)/Cu(II) networks as efficient heterogeneous catalysts for the azide-alkyne "click" reaction and promising oxidation of ethylbenzene
Authors of publication	Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2016
Journal volume	52
Journal issue	7
Pages of publication	1373 - 1376
a	32.206 ± 0.003 Å
b	8.802 ± 0.0006 Å
c	30.44 ± 0.003 Å
α	90°
β	108.12 ± 0.011°
γ	90°
Cell volume	8201.1 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1254
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1451
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209776 (current)	2018-08-16	cif/7/11/ Updating bibliography in entries 7118453-7118456, 7118669-7118672. Marking entries 7118669-7118672 as duplicates of entries 7118453-7118456.	7118453.cif
175861	2016-02-04	cif/ Updating files of 7118453, 7118454, 7118455, 7118456 Original log message: Adding full bibliography for 7118453--7118456.cif.	7118453.cif
174470	2016-01-15	cif/ Adding structures of 7118453, 7118454, 7118455, 7118456 via cif-deposit CGI script.	7118453.cif