Crystallography Open Database

Information card for entry 4101355

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Coordinates	4101355.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCN-9
Formula	C64 H32 Co4 N8 O17
Calculated formula	C64 H32 Co4 N8 O17
Title of publication	A metal-organic framework with entatic metal centers exhibiting high gas adsorption affinity.
Authors of publication	Ma, Shengqian; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	36
Pages of publication	11734 - 11735
a	25.4387 ± 0.0005 Å
b	25.4387 ± 0.0005 Å
c	25.4387 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	16462.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1233
Residual factor for significantly intense reflections	0.1031
Weighted residual factors for significantly intense reflections	0.3066
Weighted residual factors for all reflections included in the refinement	0.3196
Goodness-of-fit parameter for all reflections included in the refinement	1.218
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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