Crystallography Open Database

Information card for entry 7708905

Preview

Coordinates	7708905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H27 I N2 Si Zn
Calculated formula	C14 H27 I N2 Si Zn
SMILES	C[N]1(C)CC[N](C)(C)[Zn]1(I)[Si](C)(C)c1ccccc1
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	15.0253 ± 0.0019 Å
b	15.749 ± 0.0019 Å
c	16.4568 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3894.2 ± 0.8 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
270819 (current)	2021-11-23	cif/ Adding structures of 7708905, 7708906 via cif-deposit CGI script.	7708905.cif