Crystallography Open Database

Information card for entry 4302379

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Coordinates	4302379.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCN-9 (Fe)
Formula	C64 H32 Fe4 N8 O17
Calculated formula	C64 H32 Fe4 N8 O17
Title of publication	Investigation of Gas Adsorption Performances and H2 Affinities of Porous Metal-Organic Frameworks with Different Entatic Metal Centers
Authors of publication	Ma, Shengqian; Yuan, Daqiang; Chang, Jong-San; Zhou, Hong-Cai
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Journal issue	12
Pages of publication	5398 - 5402
a	25.474 ± 0.003 Å
b	25.474 ± 0.003 Å
c	25.474 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	16531 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1475
Residual factor for significantly intense reflections	0.1315
Weighted residual factors for significantly intense reflections	0.3338
Weighted residual factors for all reflections included in the refinement	0.346
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	4338664
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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