Crystallography Open Database

Information card for entry 1568210

Preview

Coordinates	1568210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H150 F60 Fe Hg10 N24 S10 Sb10
Calculated formula	C90 H138 F48 Fe Hg10 N20 S10 Sb8
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	18.7149 ± 0.0008 Å
b	36.9102 ± 0.0016 Å
c	32.7166 ± 0.0014 Å
α	90°
β	94.377 ± 0.002°
γ	90°
Cell volume	22533.8 ± 1.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
281353 (current)	2023-03-04	cif/ Updating files of 1568209, 1568210, 1568211 Original log message: Adding full bibliography for 1568209--1568211.cif.	1568210.cif
280057	2022-12-29	cif/ Adding structures of 1568209, 1568210, 1568211 via cif-deposit CGI script.	1568210.cif