Crystallography Open Database

Information card for entry 1571348

Preview

Coordinates	1571348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H85 O6 Pr Si3
Calculated formula	C86 H85 O6 Pr Si3
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	11.1967 ± 0.0004 Å
b	14.3423 ± 0.0005 Å
c	24.4587 ± 0.0006 Å
α	106.237 ± 0.003°
β	99.362 ± 0.003°
γ	93.699 ± 0.003°
Cell volume	3695.7 ± 0.2 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	1571348.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.	1571348.cif