Crystallography Open Database

Information card for entry 1570580

Preview

Coordinates	1570580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H95 Er K Si4
Calculated formula	C52 H95 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	14.8618 ± 0.0009 Å
b	17.3571 ± 0.0008 Å
c	21.5304 ± 0.0017 Å
α	90°
β	97.39 ± 0.006°
γ	90°
Cell volume	5507.8 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0305
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1570580.cif
288451	2023-12-21	cif/ Adding structures of 1570572, 1570573, 1570574, 1570575, 1570576, 1570577, 1570578, 1570579, 1570580, 1570581 via cif-deposit CGI script.	1570580.cif