Crystallography Open Database

Information card for entry 1545256

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Coordinates	1545256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 B2 F8 Fe N24
Calculated formula	C30 H30 B2 F8 Fe N24
Title of publication	Gas confinement in compartmentalized coordination polymers for highly selective sorption
Authors of publication	Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	4
Pages of publication	3109
a	10.369 ± 0.0005 Å
b	10.369 ± 0.0005 Å
c	22.9628 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	2138.1 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1389
Residual factor for significantly intense reflections	0.109
Weighted residual factors for significantly intense reflections	0.2739
Weighted residual factors for all reflections included in the refinement	0.2978
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
194998 (current)	2017-04-05	cif/ Updating files of 1545255, 1545256, 1545257, 1545258, 1545259, 1545260, 1545261, 1545262 Original log message: Adding full bibliography for 1545255--1545262.cif.	1545256.cif
192043	2017-02-14	cif/ Adding structures of 1545255, 1545256, 1545257, 1545258, 1545259, 1545260, 1545261, 1545262 via cif-deposit CGI script.	1545256.cif