Crystallography Open Database

Information card for entry 7023401

Preview

Coordinates	7023401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 N5 O3 S2
Calculated formula	C38 H50 N5 O3 S2
Title of publication	A rhodamine-based fluorescent probe for detecting Hg(2+) in a fully aqueous environment.
Authors of publication	Chen, Xiaoli; Meng, Xiangming; Wang, Shuxing; Cai, Yulei; Wu, Yifan; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	41
Pages of publication	14819 - 14825
a	9.536 ± 0.005 Å
b	11.665 ± 0.005 Å
c	19.178 ± 0.005 Å
α	79.85 ± 0.005°
β	86.907 ± 0.005°
γ	67.101 ± 0.005°
Cell volume	1934.2 ± 1.4 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	0.0829
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.2038
Weighted residual factors for all reflections included in the refinement	0.2223
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179939 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/34.	7023401.cif
90521	2013-11-18	cif/ Adding structures of 7023401 via cif-deposit CGI script.	7023401.cif