Crystallography Open Database

Information card for entry 7717220

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Coordinates	7717220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H186 Mn Mo6 N6 O31.5 S3.5
Calculated formula	C92 H177 Mn Mo6 N6 O30 S2
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	16.589 ± 0.0017 Å
b	17.1075 ± 0.0018 Å
c	22.616 ± 0.002 Å
α	90.45 ± 0.004°
β	106.263 ± 0.004°
γ	95.652 ± 0.004°
Cell volume	6127.3 ± 1.1 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0883
Residual factor for significantly intense reflections	0.0833
Weighted residual factors for significantly intense reflections	0.2149
Weighted residual factors for all reflections included in the refinement	0.2173
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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