Crystallography Open Database

Information card for entry 7709063

Preview

Coordinates	7709063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C226.14 H158.58 Br24 Cl18.52 N24 Zn12
Calculated formula	C226.14 H158.58 Br24 Cl18.522 N24 Zn12
Title of publication	Mechanochemical synthesis of mechanical bonds in M12L8 poly-[<i>n</i>]-catenanes.
Authors of publication	Martí-Rujas, Javier; Elli, Stefano; Sacchetti, Alessandro; Castiglione, Franca
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	51
Journal issue	1
Pages of publication	53 - 58
a	37.9184 ± 0.0011 Å
b	37.9184 ± 0.0011 Å
c	16.6172 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	20691.3 ± 1.4 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2165
Weighted residual factors for all reflections included in the refinement	0.2266
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
272645 (current)	2022-02-04	cif/ Updating files of 7709063 Original log message: Adding full bibliography for 7709063.cif.	7709063.cif
271335	2021-12-11	cif/ Adding structures of 7709063 via cif-deposit CGI script.	7709063.cif