Crystallography Open Database

Information card for entry 7118762

Preview

Coordinates	7118762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160 H112 Cu6 F18 N32 Zr3
Calculated formula	C160.001 H112.001 Cu6 F18 N31.9992 Zr3
Title of publication	A rare cationic building block that generates a new type of polyhedral network with "cross-linked" pto topology.
Authors of publication	Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	22
Pages of publication	4160 - 4162
a	21.165 ± 0.002 Å
b	21.165 ± 0.002 Å
c	21.165 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9481 ± 1.6 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	6
Space group number	200
Hermann-Mauguin space group symbol	P m -3
Hall space group symbol	-P 2 2 3
Residual factor for all reflections	0.3057
Residual factor for significantly intense reflections	0.2351
Weighted residual factors for significantly intense reflections	0.5086
Weighted residual factors for all reflections included in the refinement	0.5336
Goodness-of-fit parameter for all reflections included in the refinement	1.861
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
181529 (current)	2016-04-05	cif/ Updating files of 7118758, 7118759, 7118760, 7118761, 7118762 Original log message: Adding full bibliography for 7118758--7118762.cif.	7118762.cif
176487	2016-02-17	cif/ Adding structures of 7118758, 7118759, 7118760, 7118761, 7118762 via cif-deposit CGI script.	7118762.cif