Crystallography Open Database

Information card for entry 4518323

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Coordinates	4518323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C414 H204 O232 Tb30
Calculated formula	C414 H162 O232.5 Tb30
Title of publication	A Multifunctional Tb-MOF Detector for H2O2, Fe3+, Cr2O72‒, and TPA Explosive Featuring Coexistence of Binuclear and Tetranuclear Clusters
Authors of publication	Chai, Hong-mei; Zhang, Gang-qiang; Jiao, Chun-xia; Ren, Yi-xia; Gao, Lou-jun
Journal of publication	ACS Omega
Year of publication	2020
Journal volume	5
Journal issue	51
Pages of publication	33039 - 33046
a	38.8146 ± 0.0015 Å
b	38.8146 ± 0.0015 Å
c	11.1146 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	14501.6 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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