Crystallography Open Database

Information card for entry 1545255

Preview

Coordinates	1545255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 B2 F8 Fe N24
Calculated formula	C30 H30 B2 F7.99 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	10.4852 ± 0.001 Å
b	10.4852 ± 0.001 Å
c	23.308 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	2219.2 ± 0.4 Å³
Cell temperature	240 ± 0.14 K
Ambient diffraction temperature	240 ± 0.14 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	0.2252
Residual factor for significantly intense reflections	0.1085
Weighted residual factors for significantly intense reflections	0.2302
Weighted residual factors for all reflections included in the refinement	0.3038
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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.	1545255.cif
192043	2017-02-14	cif/ Adding structures of 1545255, 1545256, 1545257, 1545258, 1545259, 1545260, 1545261, 1545262 via cif-deposit CGI script.	1545255.cif