Crystallography Open Database

Information card for entry 1570026

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Coordinates	1570026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H42 Co3 N3.33 O15 S6
Calculated formula	C41 H14 Co3 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	44.876 ± 0.001 Å
b	44.876 ± 0.001 Å
c	44.876 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	90374 ± 3 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	0.0486
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
286615 (current)	2023-10-02	cif/ Adding structures of 1570026 via cif-deposit CGI script.	1570026.cif