Crystallography Open Database

Information card for entry 7247702

Preview

Coordinates	7247702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H27 N3 O12 Tb
Calculated formula	C21 H27 N3 O12 Tb
Title of publication	A dual-emission Tb-based MOF induced by ESPT for ratiometric ammonia sensing
Authors of publication	Zhao, Yuming; Zhang, Rudie; Xiao, Cheng; Yue, Dan; Qin, Bowen; Liu, Jinhui; Wang, Zhenling; Fu, Yu
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	47
Pages of publication	6528 - 6532
a	10.4819 ± 0.0007 Å
b	10.9273 ± 0.0007 Å
c	12.5634 ± 0.0007 Å
α	104.646 ± 0.002°
β	108.134 ± 0.002°
γ	97.016 ± 0.002°
Cell volume	1291.14 ± 0.14 Å³
Cell temperature	172.99 K
Ambient diffraction temperature	172.99 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0207
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.0479
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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