Crystallography Open Database

Information card for entry 4511053

Preview

Coordinates	4511053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74.67 H90.67 N2.67 O8
Calculated formula	C74 H88 N2 O8
Title of publication	Co-crystallization of Ionic and Neutral Supramolecular Motifs Derived from Identical Components
Authors of publication	Jacobs, Tia; Lloyd, Gareth O.; Bredenkamp, Martin W.; Barbour, Leonard J.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	3
Pages of publication	1284
a	53.599 ± 0.002 Å
b	53.599 ± 0.002 Å
c	11.0015 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	27371 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0985
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.171
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
179657 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/10.	4511053.cif
114679	2014-05-29	cif/ Adding structures of 4511053 via cif-deposit CGI script.	4511053.cif