Crystallography Open Database

Information card for entry 4349089

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Coordinates	4349089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 B2 F8 Fe N24
Calculated formula	C48 H42 B2 F8 Fe N24
Title of publication	Isostructural compartmentalized spin-crossover coordination polymers for gas confinement
Authors of publication	Calvo Galve, Néstor; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo; Coronado, Eugenio
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	6
Pages of publication	808
a	10.2235 ± 0.0014 Å
b	10.2235 ± 0.0014 Å
c	31.903 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	2887.8 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.3945
Residual factor for significantly intense reflections	0.2132
Weighted residual factors for significantly intense reflections	0.4274
Weighted residual factors for all reflections included in the refinement	0.5247
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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