Crystallography Open Database

Information card for entry 4106689

Preview

Coordinates	4106689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H103 N4.5 O22.5 V6
Calculated formula	C75 H103 N4.5 O22.5 V6
Title of publication	Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties
Authors of publication	Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	14010 - 14016
a	37.7321 ± 0.0012 Å
b	18.0806 ± 0.0005 Å
c	24.034 ± 0.0008 Å
α	90°
β	109.719 ± 0.002°
γ	90°
Cell volume	15434.9 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2225
Residual factor for significantly intense reflections	0.0867
Weighted residual factors for significantly intense reflections	0.2193
Weighted residual factors for all reflections included in the refinement	0.2803
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4106689.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106689.cif
53494	2012-04-20	cif/ Adding structures of 4106689 via cif-deposit CGI script.	4106689.cif