Crystallography Open Database

Information card for entry 7102406

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Coordinates	7102406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H77 Fe4 N15 O37
Calculated formula	C57 H57 Fe4 N15 O37.01
Title of publication	A three dimensional porous metal-organic framework [Fe4L6.(DMF)3.(H2O)10] constructed from neutral discrete Fe4L6 pyramids [H2L = 1,3-benzodihydroxamix acid].
Authors of publication	Bai, Yan; Guo, Dong; Duan, Chun-Ying; Dang, Dong-Bin; Pang, Ke-Liang; Meng, Qing-Jin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	2
Pages of publication	186 - 187
a	27.6415 ± 0.0017 Å
b	27.6415 ± 0.0017 Å
c	27.6415 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	21120 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.2415
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.1785
Weighted residual factors for all reflections included in the refinement	0.2086
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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