Crystallography Open Database

Information card for entry 7231037

Preview

Coordinates	7231037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H44 Fe N12 O5
Calculated formula	C57 H39 Fe N12 O4
Title of publication	Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations
Authors of publication	Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	29
Pages of publication	4141
a	17.0059 ± 0.0002 Å
b	17.0059 ± 0.0002 Å
c	17.2491 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	4320.13 ± 0.09 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7231037.html