Crystallography Open Database

Information card for entry 4312191

Preview

Coordinates	4312191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H112 Cl4 Cu2 F12 Fe2 N8 P2
Calculated formula	C111 H110 Cl4 Cu2 F12 Fe2 N8 P2
Title of publication	Chiral Induction in Self-Assembled Helicates: CHIRAGEN Type Ligands with Ferrocene Bridging Units
Authors of publication	Boris Quinodoz; Gaël Labat; Helen Stoeckli-Evans; Alex von Zelewsky
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7994 - 8004
a	11.8843 ± 0.0008 Å
b	27.3956 ± 0.0014 Å
c	16.7683 ± 0.0013 Å
α	90°
β	110.565 ± 0.008°
γ	90°
Cell volume	5111.5 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4312191.html