Crystallography Open Database

Information card for entry 7707642

Preview

Coordinates	7707642.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Rb[Li3(1)3Ti2]
Formula	C312 H376 Li12 N8 O157 Rb4 Ti8
Calculated formula	C312 H376 Li12 N8 O157 Rb4 Ti8
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	14.5024 ± 0.0007 Å
b	41.3843 ± 0.0018 Å
c	14.6141 ± 0.0007 Å
α	90°
β	107.933 ± 0.002°
γ	90°
Cell volume	8344.9 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1617
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.2167
Weighted residual factors for all reflections included in the refinement	0.2566
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7707642.cif
266379	2021-06-11	cif/ Adding structures of 7707641, 7707642 via cif-deposit CGI script.	7707642.cif