Crystallography Open Database

Information card for entry 1545257

Preview

Coordinates	1545257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.12 H30 Cl2 Fe N24 O10.24
Calculated formula	C31.1232 H30 Cl2 Fe N24 O10.2464
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	10.55931 ± 0.00006 Å
b	10.55931 ± 0.00006 Å
c	23.6672 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2285.33 ± 0.03 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Goodness-of-fit parameter for all reflections	2.183
Method of determination	powder diffraction
Diffraction radiation wavelength	0.799933 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213921 (current)	2019-03-01	cif/1/54/52/ Removed the underscore symbol ('_') from the value of the _space_group_name_Hall data item in entries 1545257-1545262.	1545257.cif
194998	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.	1545257.cif
192043	2017-02-14	cif/ Adding structures of 1545255, 1545256, 1545257, 1545258, 1545259, 1545260, 1545261, 1545262 via cif-deposit CGI script.	1545257.cif