Crystallography Open Database

Information card for entry 7250383

Preview

Coordinates	7250383.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[2-AF-Co7].7H2O
Chemical name	AF-Co7
Formula	C66 H98 Co7 N8 O33
Calculated formula	C60 H78 Co7 N8 O24
Title of publication	Pseudo [M(II)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state.
Authors of publication	Jones, Leigh Fon; Slater-Parry , Mari Elena; Townrow, David; Ellaby, Rebecca; Page, Samuel J.; Ratanasakprakan, Chotima; Meally, Sean Tomas
Journal of publication	CrystEngComm
Year of publication	2025
a	14.0528 ± 0.0001 Å
b	14.0528 ± 0.0001 Å
c	23.008 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	3934.91 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1781
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	1.186
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
299633 (current)	2025-05-14	cif/ Adding structures of 7250376, 7250377, 7250378, 7250379, 7250380, 7250381, 7250382, 7250383, 7250384 via cif-deposit CGI script.	7250383.cif