Crystallography Open Database

Information card for entry 7062799

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Coordinates	7062799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Co In N4 O8
Calculated formula	C20 H14 Co In N4 O8
Title of publication	Encapsulation of cobaltocenium ions in a zeolite-like metal–organic framework
Authors of publication	Abbas, Muhammad; Marti, Anne M.; Umer, Arslan; Joy, Monu; Yang, Ya-Ching; Wang, Sue-Lein; Balkus, Kenneth J.
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	46
Pages of publication	21159 - 21167
a	36.778 ± 0.004 Å
b	36.778 ± 0.004 Å
c	36.778 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	49747 ± 9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	228
Hermann-Mauguin space group symbol	F d -3 c :2
Hall space group symbol	-F 4ud 2vw 3
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	1.228
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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