Crystallography Open Database

Information card for entry 7717221

Preview

Coordinates	7717221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H33 Fe2 Mn1.5 Mo9 N3 O43
Calculated formula	C34.5 H33 Fe1.9999 Mn1.5 Mo9 N3 O42.9999
Title of publication	Imine Bond-Directed Assembly of Polyoxometalate-Based Metal–Organic Frameworks
Authors of publication	Yu, Xiang; Xu, Xinyu; Gao, Lei; Luo, Rengan; Liu, Yifan; Gu, Yu-Hao; Yuan, Shuai
Journal of publication	Dalton Transactions
Year of publication	2024
a	45.266 ± 0.018 Å
b	45.266 ± 0.018 Å
c	18.25 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	32385 ± 2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.1849
Residual factor for significantly intense reflections	0.0903
Weighted residual factors for significantly intense reflections	0.2849
Weighted residual factors for all reflections included in the refinement	0.3151
Goodness-of-fit parameter for all reflections included in the refinement	0.818
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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