Crystallography Open Database

Information card for entry 4106570

Preview

Coordinates	4106570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C178 H148 Ce4 N30 O31
Calculated formula	C177.91 H130.86 Ce4 N29.98 O30.935
Title of publication	An Amide-Containing Metal-Organic Tetrahedron Responding to a Spin-Trapping Reaction in a Fluorescent Enhancement Manner for Biological Imaging of NO in Living Cells
Authors of publication	Jian Wang; Cheng He; Pengyan Wu; Jing Wang; Chunying Duan
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12402 - 12405
a	30.927 ± 0.011 Å
b	30.927 ± 0.011 Å
c	86.9 ± 0.06 Å
α	90°
β	90°
γ	120°
Cell volume	71982 ± 6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1082
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1882
Weighted residual factors for all reflections included in the refinement	0.2031
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106570.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106570.cif
53372	2012-04-19	cif/ Adding structures of 4106570 via cif-deposit CGI script.	4106570.cif