Crystallography Open Database

Information card for entry 4115168

Preview

Coordinates	4115168.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Phil Gale
Formula	C124 H180 Cl8 N16 O8
Calculated formula	C124 H180 Cl8 N16 O8
Title of publication	Anion-Anion Assembly: A New Class of Anionic Supramolecular Polymer Containing 3,4-Dichloro-2,5-diamido-substituted Pyrrole Anion Dimers
Authors of publication	Philip A. Gale; Korakot Navakhun; Salvatore Camiolo; Mark E. Light; Michael B. Hursthouse
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	11228 - 11229
a	16.472 ± 0.005 Å
b	18.028 ± 0.005 Å
c	24.398 ± 0.005 Å
α	69.036 ± 0.005°
β	76.52 ± 0.005°
γ	73.183 ± 0.005°
Cell volume	6408 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.2051
Residual factor for significantly intense reflections	0.1107
Weighted residual factors for significantly intense reflections	0.2954
Weighted residual factors for all reflections included in the refinement	0.3389
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178922 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/51.	4115168.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115168.cif
68597	2012-11-07	cif/ Adding structures of 4115168 via cif-deposit CGI script.	4115168.cif