Crystallography Open Database

Information card for entry 4330599

Preview

Coordinates	4330599.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexa(N-methylpyrrolidone)bis{2,7,12-trimethoxy-3,8,13-tris (4-N-oxide-pyridyloxy)-10,15-dihydro-5H-tribenzo[a,d,g]cyclononatriene} disilver(I) perchlorate N-methylpyrrolidone clathrate
Formula	C114 H120 Ag3 Cl3 N12 O42
Calculated formula	C114 H120 Ag3 Cl3 N12 O42
Title of publication	Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands
Authors of publication	James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10657 - 10674
a	25.9744 ± 0.0008 Å
b	25.9744 ± 0.0008 Å
c	25.9744 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	17524.1 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1489
Residual factor for significantly intense reflections	0.0958
Weighted residual factors for significantly intense reflections	0.272
Weighted residual factors for all reflections included in the refinement	0.2982
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
179408 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/05.	4330599.cif
80052	2013-04-06	cif/ Adding structures of 4330599 via cif-deposit CGI script.	4330599.cif