Crystallography Open Database

Information card for entry 4516648

Preview

Coordinates	4516648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H24 Cl6 Fe2 N6 O26
Calculated formula	C54 H24 Cl6 Fe2 N6 O26
Title of publication	Nanosheets of Two-Dimensional Magnetic and Conducting Fe(II)/Fe(III) Mixed-Valence Metal-Organic Frameworks.
Authors of publication	Benmansour, Samia; Abhervé, Alexandre; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Gómez-García, Carlos J
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	31
Pages of publication	26210 - 26218
a	13.6909 ± 0.0003 Å
b	13.6909 ± 0.0003 Å
c	9.1968 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1492.9 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	162
Hermann-Mauguin space group symbol	P -3 1 m
Hall space group symbol	-P 3 2
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/4516648.html