Crystallography Open Database

Information card for entry 7127368

Preview

Coordinates	7127368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H37 Co F24 N9 P4
Calculated formula	C44 H37 Co F24 N9 P4
SMILES	[Co]1234([n]5c(cc(cc5c5[n]2cccc5)c2cc[n+](cc2)C)c2[n]1cccc2)[n]1c(cc(cc1c1[n]4cccc1)c1cc[n+](cc1)C)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
Title of publication	A delocalized cobaltoviologen with seven reversibly accessible redox states and highly tunable electrochromic behaviour.
Authors of publication	Mansoor, Iram F.; Wozniak, Derek I.; Wu, Yilei; Lipke, Mark C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	89
Pages of publication	13864 - 13867
a	12.9089 ± 0.0014 Å
b	31.053 ± 0.003 Å
c	25.429 ± 0.003 Å
α	90°
β	90.106 ± 0.002°
γ	90°
Cell volume	10193.5 ± 1.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260653 (current)	2021-01-07	cif/ Updating files of 7127367, 7127368 Original log message: Adding full bibliography for 7127367--7127368.cif.	7127368.cif
257189	2020-10-06	cif/ Adding structures of 7127367, 7127368 via cif-deposit CGI script.	7127368.cif