Crystallography Open Database

Information card for entry 1570577

Preview

Coordinates	1570577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H104 Er K Si4
Calculated formula	C59 H104 Er K Si4
Title of publication	It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.
Authors of publication	Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	4
Pages of publication	1338 - 1347
a	16.0025 ± 0.0003 Å
b	32.4257 ± 0.0007 Å
c	46.6302 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	24196.1 ± 0.8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F 2 d d
Hall space group symbol	F -2d 2
Residual factor for all reflections	0.0282
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289405 (current)	2024-02-04	cif/ Updating files of 1570572, 1570573, 1570574, 1570575, 1570576, 1570577, 1570578, 1570579, 1570580, 1570581 Original log message: Adding full bibliography for 1570572--1570581.cif.	1570577.cif
288451	2023-12-21	cif/ Adding structures of 1570572, 1570573, 1570574, 1570575, 1570576, 1570577, 1570578, 1570579, 1570580, 1570581 via cif-deposit CGI script.	1570577.cif