Crystallography Open Database

Information card for entry 7244784

Preview

Coordinates	7244784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C214 H270 Br Co4 N19 Na O16
Calculated formula	C196 H243 Br Co4 N10 Na 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	21.7315 ± 0.0002 Å
b	31.5316 ± 0.0005 Å
c	29.9771 ± 0.0005 Å
α	90°
β	94.9104 ± 0.0012°
γ	90°
Cell volume	20465.8 ± 0.5 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	0.1079
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.256
Weighted residual factors for all reflections included in the refinement	0.2651
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7244784.cif