Crystallography Open Database

Information card for entry 7707308

Preview

Coordinates	7707308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.29 H47.58 Br2 Cl4.63 Fe4 N15 O
Calculated formula	C51.293 H47.576 Br2 Cl4.626 Fe4 N15 O0.995
Title of publication	Tetrairon(II) extended metal atom chains as single-molecule magnets.
Authors of publication	Nicolini, Alessio; Affronte, Marco; SantaLucia, Daniel J.; Borsari, Marco; Cahier, Benjamin; Caleffi, Matteo; Ranieri, Antonio; Berry, John F.; Cornia, Andrea
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	22
Pages of publication	7571 - 7589
a	19.6801 ± 0.0016 Å
b	16.442 ± 0.0014 Å
c	18.6092 ± 0.0014 Å
α	90°
β	104.979 ± 0.003°
γ	90°
Cell volume	5817 ± 0.8 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	7
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	0.0664
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.214
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
267165 (current)	2021-07-05	cif/ Updating files of 7707308 Original log message: Adding full bibliography for 7707308.cif.	7707308.cif
264825	2021-05-04	cif/ Adding structures of 7707308 via cif-deposit CGI script.	7707308.cif