Crystallography Open Database

Information card for entry 4325090

Preview

Coordinates	4325090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H84 N18 O19 Zn3
Calculated formula	C78 H84 N18 O19 Zn3
Title of publication	Zinc(II) and PPi Selective Fluorescence OFF-ON-OFF Functionality of a Chemosensor in Physiological Conditions
Authors of publication	I. Ravikumar; Pradyut Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4229 - 4231
a	15.69 ± 0.003 Å
b	13.955 ± 0.003 Å
c	21.083 ± 0.005 Å
α	90°
β	111.454 ± 0.003°
γ	90°
Cell volume	4296.4 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
179353 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50.	4325090.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325090.cif
43542	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325090 via cif-deposit CGI script.	4325090.cif