Crystallography Open Database

Information card for entry 1570027

Preview

Coordinates	1570027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H18 Fe3 N1.33 O15 S6
Calculated formula	C41 H14 Fe3 N1.33333 O15 S6
Title of publication	Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents
Authors of publication	Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed
Journal of publication	Nature Synthesis
Year of publication	2023
Pages of publication	1
a	44.6247 ± 0.0005 Å
b	44.6247 ± 0.0005 Å
c	44.6247 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	88864 ± 1.7 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286616 (current)	2023-10-02	cif/ Adding structures of 1570027 via cif-deposit CGI script.	1570027.cif