Crystallography Open Database

Information card for entry 7244787

Preview

Coordinates	7244787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123.58 H157.38 Br1.58 Cl2.62 Co2.81 Li5.19 N17.79 O10
Calculated formula	C99.584 H121.376 Br1.584 Cl2.624 Co2.806 Li5.194 N5.792 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	41.6832 ± 0.0005 Å
b	41.6832 ± 0.0005 Å
c	17.4818 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	30374.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1571
Residual factor for significantly intense reflections	0.0968
Weighted residual factors for significantly intense reflections	0.2934
Weighted residual factors for all reflections included in the refinement	0.3319
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7244787.cif