Crystallography Open Database

Information card for entry 1576958

Preview

Coordinates	1576958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H29 Gd N4 O12 Zn
Calculated formula	C32 H29 Gd N4 O12 Zn
Title of publication	A molecular dual-center emitter for ratiometric optical thermometry.
Authors of publication	Sun, Rong; Huang, Hong; Xia, Ye; Liu, Youchao; Tao, Xingquan; Zhang, Jun-Long; Wang, Bing-Wu; Gao, Song
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	12
Pages of publication	6079 - 6085
a	10.0973 ± 0.0003 Å
b	19.1846 ± 0.0004 Å
c	17.427 ± 0.0004 Å
α	90°
β	94.501 ± 0.002°
γ	90°
Cell volume	3365.42 ± 0.14 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 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	0.0465
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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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