Crystallography Open Database

Information card for entry 1571351

Preview

Coordinates	1571351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H73.5 N4.5 O4 Si4 Tb
Calculated formula	C84 H69 N3 O4 Si4 Tb
Title of publication	Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
Authors of publication	Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	18
Pages of publication	6874 - 6883
a	17.6194 ± 0.0003 Å
b	13.8469 ± 0.0003 Å
c	31.8914 ± 0.0005 Å
α	90°
β	91.3763 ± 0.0014°
γ	90°
Cell volume	7778.4 ± 0.2 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	6
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	0.0555
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
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
292913 (current)	2024-07-05	cif/ Updating files of 1571342, 1571343, 1571344, 1571345, 1571346, 1571347, 1571348, 1571349, 1571350, 1571351, 1571352, 1571353, 1571354 Original log message: Adding full bibliography for 1571342--1571354.cif.	1571351.cif
290738	2024-04-03	cif/ Adding structures of 1571342, 1571343, 1571344, 1571345, 1571346, 1571347, 1571348, 1571349, 1571350, 1571351, 1571352, 1571353, 1571354 via cif-deposit CGI script.	1571351.cif