Crystallography Open Database

Information card for entry 7244782

Preview

Coordinates	7244782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C184 H239 Br2 Co3 Li9 N22 O16
Calculated formula	C174 H218 Br2 Co3 Li9 N17 O16
Title of publication	Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity
Authors of publication	Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	19
Pages of publication	11672 - 11685
a	16.6753 ± 0.0004 Å
b	61.6021 ± 0.0017 Å
c	18.8069 ± 0.0007 Å
α	90°
β	91.986 ± 0.002°
γ	90°
Cell volume	19307.5 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2373
Residual factor for significantly intense reflections	0.1766
Weighted residual factors for significantly intense reflections	0.3987
Weighted residual factors for all reflections included in the refinement	0.4369
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
274546 (current)	2022-04-15	cif/ Adding structures of 7244782, 7244783, 7244784, 7244785, 7244786, 7244787, 7244788 via cif-deposit CGI script.	7244782.cif