Crystallography Open Database

Information card for entry 7707641

Preview

Coordinates	7707641.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Na[Li3(1)3Ti2]
Formula	C78 H96 Li3 N2 Na O40 Ti2
Calculated formula	C78 H96 Li3 N2 Na O40 Ti2
Title of publication	Cation-translocation based isomerism offers a tool for the expansion of compressed helicates.
Authors of publication	Mevissen, Christian; Sommer, David; Vasanthakumar, Sabarina; Truong, Khai-Nghi; Rissanen, Kari; Albrecht, Markus
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	27
Pages of publication	9372 - 9375
a	14.6785 ± 0.0002 Å
b	40.9426 ± 0.0005 Å
c	14.4762 ± 0.0002 Å
α	90°
β	107.797 ± 0.002°
γ	90°
Cell volume	8283.5 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.1799
Weighted residual factors for all reflections included in the refinement	0.188
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268727 (current)	2021-09-06	cif/ Updating files of 7707641, 7707642 Original log message: Adding full bibliography for 7707641--7707642.cif.	7707641.cif
266379	2021-06-11	cif/ Adding structures of 7707641, 7707642 via cif-deposit CGI script.	7707641.cif