Crystallography Open Database

Information card for entry 7229035

Preview

Coordinates	7229035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H49.5 N6.5 O5
Calculated formula	C46 H48 N6.5 O5
Title of publication	Rhodamine 6G hydrazone with coumarin unit: a novel single-molecule multianalyte (Cu2+ and Hg2+) sensor at different pH value
Authors of publication	Xu, Zhou-Qing; Mao, Xian-Jie; Wang, Yuan; Wu, Wei-Na; Mao, Pan-Dong; Zhao, Xiao-Lei; Fan, Yun-Chang; Li, Hui-Jun
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	67
Pages of publication	42312
a	10.543 ± 0.008 Å
b	11.218 ± 0.009 Å
c	19.322 ± 0.016 Å
α	85.354 ± 0.017°
β	74.292 ± 0.015°
γ	78.481 ± 0.016°
Cell volume	2155 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2663
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1554
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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