Crystallography Open Database

Information card for entry 4341804

Preview

Coordinates	4341804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H76 Cd6 N30 O39
Calculated formula	C74 H76 Cd6 N30 O39
Title of publication	A Highly Sensitive C3-Symmetric Schiff-Base Fluorescent Probe for Cd(2+)
Authors of publication	Jiang, Xiu-Juan; Li, Min; Lu, Hong-Lin; Xu, Lin-Hua; Xu, Hong; Zang, Shuang-Quan; Tang, Ming-Sheng; Hou, Hong-Wei; Mak, Thomas C. W.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141202101910005
a	11.9248 ± 0.0017 Å
b	13.2788 ± 0.0019 Å
c	16.859 ± 0.002 Å
α	93.849 ± 0.012°
β	93.549 ± 0.011°
γ	105.653 ± 0.013°
Cell volume	2555.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2693
Residual factor for significantly intense reflections	0.1136
Weighted residual factors for significantly intense reflections	0.1953
Weighted residual factors for all reflections included in the refinement	0.2512
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179521 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341804.cif
128224	2014-12-06	cif/ Adding structures of 4341804 via cif-deposit CGI script.	4341804.cif