Crystallography Open Database

Information card for entry 1570035

Preview

Coordinates	1570035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98.03 H60.19 Br1.06 In3.06 N4.67 O13
Calculated formula	C98 H60.185 Br0.065 In3.065 N4.66667 O13
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	57.8453 ± 0.0008 Å
b	57.8453 ± 0.0008 Å
c	57.8453 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	193555 ± 5 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	0.0966
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1999
Weighted residual factors for all reflections included in the refinement	0.2358
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
286624 (current)	2023-10-02	cif/ Adding structures of 1570035 via cif-deposit CGI script.	1570035.cif