Crystallography Open Database

Information card for entry 7244786

Preview

Coordinates	7244786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H157 Br2 Co2.44 Li5.56 N17 O10
Calculated formula	C106 H131 Br2 Co2.438 Li5.562 N9 O10
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	41.7805 ± 0.0002 Å
b	41.7805 ± 0.0002 Å
c	17.562 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	30656.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1479
Residual factor for significantly intense reflections	0.0978
Weighted residual factors for significantly intense reflections	0.2938
Weighted residual factors for all reflections included in the refinement	0.3475
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
274546 (current)	2022-04-15	cif/ Adding structures of 7244782, 7244783, 7244784, 7244785, 7244786, 7244787, 7244788 via cif-deposit CGI script.	7244786.cif