Crystallography Open Database

Information card for entry 7708906

Preview

Coordinates	7708906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H25 I N2 Si Zn
Calculated formula	C9 H25 I N2 Si Zn
Title of publication	Spin-State Control of Cobalt(II) and Iron(II) Complexes with Click-Derived Tripodal Ligands Through Non-Covalent and Fluorine-Specific Interactions
Authors of publication	Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit
Journal of publication	Dalton Transactions
Year of publication	2021
a	19.651 ± 0.0016 Å
b	10.2987 ± 0.0008 Å
c	8.2925 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1678.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
270819 (current)	2021-11-23	cif/ Adding structures of 7708905, 7708906 via cif-deposit CGI script.	7708906.cif