Crystallography Open Database

Information card for entry 4119186

4119185 << 4119186 >> 4119187

Preview

Coordinates	4119186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Cl2 N8 O7
Calculated formula	C26 H28 Cl2 N8 O7
Title of publication	Anion-π Interactions: Generality, Binding Strength, and Structure
Authors of publication	De-Xian Wang; Mei-Xiang Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	892 - 897
a	36.529 ± 0.007 Å
b	17.756 ± 0.004 Å
c	17.766 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	11523 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.221
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
178962 (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 4/11/91.	4119186.cif
103256	2014-02-27	cif/ Adding structures of 4119186 via cif-deposit CGI script.	4119186.cif