Crystallography Open Database

Information card for entry 7047831

Preview

Coordinates	7047831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H111 Cu5 N6 Na O28.33 Si12
Calculated formula	C114 H111 Cu5 N6 Na O28.3333 Si12
Title of publication	A new "bicycle helmet"-like copper(ii),sodiumphenylsilsesquioxane. Synthesis, structure and catalytic activity.
Authors of publication	Kulakova, Alena N.; Bilyachenko, Alexey N.; Korlyukov, Alexander A.; Shul'pina, Lidia S.; Bantreil, Xavier; Lamaty, Frédéric; Shubina, Elena S.; Levitsky, Mikhail M.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	44
Pages of publication	15666 - 15669
a	28.8235 ± 0.0009 Å
b	24.5281 ± 0.0008 Å
c	20.8021 ± 0.0007 Å
α	90°
β	105.82 ± 0.002°
γ	90°
Cell volume	14149.7 ± 0.8 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
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	0.1013
Residual factor for significantly intense reflections	0.091
Weighted residual factors for significantly intense reflections	0.2299
Weighted residual factors for all reflections included in the refinement	0.2395
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229279 (current)	2019-11-17	cif/ Updating files of 7047831 Original log message: Adding full bibliography for 7047831.cif.	7047831.cif
211556	2018-10-20	cif/ Adding structures of 7047831 via cif-deposit CGI script.	7047831.cif