Crystallography Open Database

Information card for entry 7232050

7232049 << 7232050 >> 7232051

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Structure parameters

Formula	C86 H84 Gd2 N6 O18
Calculated formula	C86 H84 Gd2 N6 O18
Title of publication	White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods
Authors of publication	Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	6
Pages of publication	964
a	11.3766 ± 0.0007 Å
b	13.5678 ± 0.0009 Å
c	15.2994 ± 0.0011 Å
α	89.045 ± 0.006°
β	68.623 ± 0.007°
γ	69.011 ± 0.006°
Cell volume	2035.5 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0695
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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