Crystallography Open Database

Information card for entry 7244788

Preview

Coordinates	7244788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134 H189 Br2 Co2 Li8 N9 O17
Calculated formula	C128 H176 Br2 Co2 Li8 N8 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	10.6094 ± 0.0007 Å
b	17.1327 ± 0.0012 Å
c	20.911 ± 0.0015 Å
α	107.144 ± 0.004°
β	93.425 ± 0.003°
γ	104.202 ± 0.004°
Cell volume	3485.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1434
Residual factor for significantly intense reflections	0.1138
Weighted residual factors for significantly intense reflections	0.3494
Weighted residual factors for all reflections included in the refinement	0.382
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	7244788.cif