Crystallography Open Database

Information card for entry 7246124

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Coordinates	7246124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H92 Cl14 Fe7 N16 O14
Calculated formula	C86 H92 Cl14 Fe7 N16 O14
Title of publication	An ionic Fe-based metal–organic-framework with 4′-pyridyl-2,2′:6′,2′′-terpyridine for catalytic hydroboration of alkynes
Authors of publication	Zhang, Guoqi; Zheng, Shengping; Neary, Michelle C.
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	4
Pages of publication	2225 - 2232
a	15.759 ± 0.002 Å
b	44.011 ± 0.006 Å
c	17.302 ± 0.003 Å
α	90°
β	108.84 ± 0.008°
γ	90°
Cell volume	11357 ± 3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1533
Residual factor for significantly intense reflections	0.1335
Weighted residual factors for significantly intense reflections	0.306
Weighted residual factors for all reflections included in the refinement	0.3157
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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