Crystallography Open Database

Information card for entry 7711857

Preview

Coordinates	7711857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126.8 H240.11 Cr11.27 F15.27 N4 O46.26 Zn1.74
Calculated formula	C126.796 H240.098 Cr11.283 F15.283 N4 O46.253 Zn1.718
Title of publication	Templating metallocycles with a macrocycle: synthesis, structures and magnetic studies of {Cr<sub>11</sub>M<sub>2</sub>} complexes.
Authors of publication	Alotaibi, Rajeh; Brookfield, Adam; Fowler, Jonathan M.; Whitehead, George F. S.; Lockyer, Selena J.; Timco, Grigore A.; Collison, David; Schnack, Jürgen; Winpenny, Richard E. P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	52
Journal issue	1
Pages of publication	20 - 23
a	20.266 ± 0.0006 Å
b	21.0542 ± 0.0006 Å
c	24.7966 ± 0.0006 Å
α	82.82 ± 0.002°
β	77.658 ± 0.002°
γ	62.886 ± 0.003°
Cell volume	9195.3 ± 0.5 Å³
Cell temperature	150.06 ± 0.14 K
Ambient diffraction temperature	150.06 ± 0.14 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1948
Weighted residual factors for all reflections included in the refinement	0.2153
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283231 (current)	2023-05-05	cif/ Updating files of 7711856, 7711857 Original log message: Adding full bibliography for 7711856--7711857.cif.	7711857.cif
279659	2022-12-01	cif/ Adding structures of 7711856, 7711857 via cif-deposit CGI script.	7711857.cif