Crystallography Open Database

Information card for entry 1570033

Preview

Coordinates	1570033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.19 H59.41 N8.72 Ni3 O15.46
Calculated formula	C57.18 H30.48 N6.72 Ni3 O15.46
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	56.4345 ± 0.0008 Å
b	56.4345 ± 0.0008 Å
c	56.4345 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	179736 ± 4 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	0.1414
Residual factor for significantly intense reflections	0.1086
Weighted residual factors for significantly intense reflections	0.2881
Weighted residual factors for all reflections included in the refinement	0.3351
Goodness-of-fit parameter for all reflections included in the refinement	1.374
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
286622 (current)	2023-10-02	cif/ Adding structures of 1570033 via cif-deposit CGI script.	1570033.cif