Crystallography Open Database

Information card for entry 7032560

Preview

Coordinates	7032560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H40 Cd Cl2 N6 O9
Calculated formula	C47 H36 Cd Cl2 N6 O9
Title of publication	TQPHEN (N,N,N',N'-tetrakis(2-quinolylmethyl)-1,2-phenylenediamine) derivatives as highly selective fluorescent probes for Cd2+.
Authors of publication	Mikata, Yuji; Kizu, Asako; Konno, Hideo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	1
Pages of publication	104 - 109
a	11.703 ± 0.006 Å
b	12.445 ± 0.007 Å
c	16.362 ± 0.008 Å
α	102.022 ± 0.006°
β	93.925 ± 0.004°
γ	111.88 ± 0.007°
Cell volume	2134.7 ± 1.9 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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 significantly intense reflections	0.0391
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180031 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/25.	7032560.cif
131072	2015-02-04	cif/ Updating files of 7032560, 7032561 Original log message: Adding full bibliography for 7032560--7032561.cif.	7032560.cif
123831	2014-09-16	cif/ Adding structures of 7032560, 7032561 via cif-deposit CGI script.	7032560.cif