Crystallography Open Database

Information card for entry 7244785

Preview

Coordinates	7244785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C360 H460 Br6 Co9 Li21 N44 O44
Calculated formula	C308 H382 Br6 Co9 Li21 N18 O44
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	10.4262 ± 0.0002 Å
b	57.4173 ± 0.001 Å
c	35.88 ± 0.0008 Å
α	90°
β	96.577 ± 0.002°
γ	90°
Cell volume	21338 ± 0.7 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1505
Residual factor for significantly intense reflections	0.115
Weighted residual factors for significantly intense reflections	0.3406
Weighted residual factors for all reflections included in the refinement	0.3653
Goodness-of-fit parameter for all reflections included in the refinement	1.345
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 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.	7244785.cif