Crystallography Open Database

Information card for entry 7233830

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Coordinates	7233830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 Be Cl6 N2 O6
Calculated formula	C38 H38 Be Cl6 N2 O6
Title of publication	CEE-active red/near-infrared fluorophores with triple-channel solid-state 'ON/OFF' fluorescence switching
Authors of publication	Xiao Cheng; Zhenyu Zhang; Houyu Zhang; Shenghua Han; Kaiqi Ye; Lu Wang; Hongyu Zhang; Yue Wang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	7385 - 7391
a	12.21 ± 0.002 Å
b	12.505 ± 0.003 Å
c	15.53 ± 0.003 Å
α	101.76 ± 0.03°
β	108.27 ± 0.03°
γ	106.81 ± 0.03°
Cell volume	2039.2 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1174
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.2091
Weighted residual factors for all reflections included in the refinement	0.2425
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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