Crystallography Open Database

Information card for entry 7250376

Preview

Coordinates	7250376.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-fur-Zn7.3H2O
Chemical name	2-fur-Zn7
Formula	C65 H88 N8 O29 Zn7
Calculated formula	C60 H78 N8 O24 Zn7
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	14.064 ± 0.002 Å
b	14.064 ± 0.002 Å
c	23.056 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	3949.4 ± 1.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 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	0.0836
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7250376.cif