Crystallography Open Database

Information card for entry 7127226

Preview

Coordinates	7127226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C336 H304 Br82.4 Co8 N48 O34
Calculated formula	C336 H304 Br82.4 Co8 N48 O34
Title of publication	Electroswitching of the single-molecule magnet behaviour in an octahedral spin crossover cobalt(ii) complex with a redox-active pyridinediimine ligand.
Authors of publication	Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Ruiz-García, Rafael; Cano, Joan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	81
Pages of publication	12242 - 12245
a	24.552 ± 0.005 Å
b	24.552 ± 0.005 Å
c	17.693 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	10665 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
260626 (current)	2021-01-07	cif/ Updating files of 7127226, 7127227 Original log message: Adding full bibliography for 7127226--7127227.cif.	7127226.cif
256413	2020-09-15	cif/ Adding structures of 7127226, 7127227 via cif-deposit CGI script.	7127226.cif