Crystallography Open Database

Information card for entry 7711856

Preview

Coordinates	7711856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C121 H223.5 Cr11 Cu2 F15 N4.5 O44
Calculated formula	C121 H223.5 Cr11 Cu2 F15 N4.5 O44
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	21.8291 ± 0.0005 Å
b	29.6847 ± 0.0007 Å
c	31.7603 ± 0.0006 Å
α	71.668 ± 0.002°
β	73.433 ± 0.002°
γ	70.962 ± 0.002°
Cell volume	18081.2 ± 0.7 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.108
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1643
Weighted residual factors for all reflections included in the refinement	0.1921
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
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
283231 (current)	2023-05-05	cif/ Updating files of 7711856, 7711857 Original log message: Adding full bibliography for 7711856--7711857.cif.	7711856.cif
279659	2022-12-01	cif/ Adding structures of 7711856, 7711857 via cif-deposit CGI script.	7711856.cif