Crystallography Open Database

Information card for entry 4117264

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Coordinates	4117264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H42 Cl8.5 Fe12.5 N4 O60
Calculated formula	C94.26 H42 Cl8.42 Fe12.5 N4.02 O60
Title of publication	Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins
Authors of publication	Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	928 - 933
a	26.5717 ± 0.0017 Å
b	26.5717 ± 0.0017 Å
c	26.5717 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	18761 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.1278
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.2543
Weighted residual factors for all reflections included in the refinement	0.2821
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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