Crystallography Open Database

Information card for entry 7250384

Preview

Coordinates	7250384.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	AF-Ni7
Formula	C60 H78 N8 Ni7 O24
Calculated formula	C60 H78 N8 Ni7.00002 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	Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	22
Pages of publication	3823 - 3832
a	13.8113 ± 0.0001 Å
b	13.8113 ± 0.0001 Å
c	23.2351 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	3838.35 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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	0.0753
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.2238
Weighted residual factors for all reflections included in the refinement	0.2246
Goodness-of-fit parameter for all reflections included in the refinement	1.0266
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
300684 (current)	2025-07-06	cif/ Updating files of 7250376, 7250377, 7250378, 7250379, 7250380, 7250381, 7250382, 7250383, 7250384 Original log message: Adding full bibliography for 7250376--7250384.cif.	7250384.cif
299633	2025-05-14	cif/ Adding structures of 7250376, 7250377, 7250378, 7250379, 7250380, 7250381, 7250382, 7250383, 7250384 via cif-deposit CGI script.	7250384.cif