Crystallography Open Database

Information card for entry 1571347

Preview

Coordinates	1571347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98.8 H149.6 K O18.2 Si4 Tb
Calculated formula	C87.9996 H127.999 K O15.4999 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	14.7864 ± 0.0003 Å
b	14.7864 ± 0.0003 Å
c	55.7285 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	10552 ± 0.4 Å³
Cell temperature	199.99 ± 0.12 K
Ambient diffraction temperature	199.99 ± 0.12 K
Number of distinct elements	6
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1709
Weighted residual factors for all reflections included in the refinement	0.1747
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
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
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.	1571347.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.	1571347.cif