Crystallography Open Database

Information card for entry 1570025

Preview

Coordinates	1570025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.5 H38 Co3 N3 O15 S6
Calculated formula	C35.5 H10 Co3 N 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	44.7093 ± 0.0005 Å
b	44.7093 ± 0.0005 Å
c	44.7093 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	89370.4 ± 1.7 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	211
Hermann-Mauguin space group symbol	I 4 3 2
Hall space group symbol	I 4 2 3
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
286614 (current)	2023-10-02	cif/ Adding structures of 1570025 via cif-deposit CGI script.	1570025.cif