Crystallography Open Database

Information card for entry 7118761

Preview

Coordinates	7118761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160 H112 Cu6 F18 N32 Ti3
Calculated formula	C160.001 H112.001 Cu6 F18 N31.9992 Ti3
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	21.2174 ± 0.0008 Å
b	21.2174 ± 0.0008 Å
c	21.2174 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	9551.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.2601
Residual factor for significantly intense reflections	0.1732
Weighted residual factors for significantly intense reflections	0.4334
Weighted residual factors for all reflections included in the refinement	0.4642
Goodness-of-fit parameter for all reflections included in the refinement	1.49
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.	7118761.cif
176487	2016-02-17	cif/ Adding structures of 7118758, 7118759, 7118760, 7118761, 7118762 via cif-deposit CGI script.	7118761.cif