Crystallography Open Database

Information card for entry 1568211

Preview

Coordinates	1568211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H100 F30 Fe Hg10 N20 O20
Calculated formula	C98 H100 F27 Fe Hg10 N20 O18
Title of publication	A decacationic ferrocene-based metallostar.
Authors of publication	Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	5
Pages of publication	1132 - 1137
a	16.8907 ± 0.0004 Å
b	40.5278 ± 0.001 Å
c	23.013 ± 0.0005 Å
α	90°
β	109.001 ± 0.001°
γ	90°
Cell volume	14895 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.0569
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281353 (current)	2023-03-04	cif/ Updating files of 1568209, 1568210, 1568211 Original log message: Adding full bibliography for 1568209--1568211.cif.	1568211.cif
280057	2022-12-29	cif/ Adding structures of 1568209, 1568210, 1568211 via cif-deposit CGI script.	1568211.cif