Crystallography Open Database

Information card for entry 1570031

Preview

Coordinates	1570031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68.02 H38.13 Co3 N7.57 O14.82
Calculated formula	C68.017 H38.132 Co3 N7.56933 O14.823
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	56.6012 ± 0.0006 Å
b	56.6012 ± 0.0006 Å
c	56.6012 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	181333 ± 3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.0663
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
286620 (current)	2023-10-02	cif/ Adding structures of 1570031 via cif-deposit CGI script.	1570031.cif