Crystallography Open Database

Information card for entry 4330601

Preview

Coordinates	4330601.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis{2,7,12-trimethoxy-3,8,13-tris(4-N-oxide-pyridyloxy)-10,15-dihydro -5H-tribenzo[a,d,g]cyclononatriene}cobalt(II) tetrafluoroborate dimethylformamide clathrate
Formula	C84 H66 B Co F4 N6 O24
Calculated formula	C84 H66 Co N6 O24
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	17.5839 ± 0.0018 Å
b	29.7518 ± 0.0018 Å
c	34.404 ± 0.003 Å
α	90°
β	99.609 ± 0.003°
γ	90°
Cell volume	17746 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1569
Residual factor for significantly intense reflections	0.0909
Weighted residual factors for significantly intense reflections	0.2356
Weighted residual factors for all reflections included in the refinement	0.2605
Goodness-of-fit parameter for all reflections included in the refinement	0.881
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
179409 (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 4/33/06.	4330601.cif
80055	2013-04-06	cif/ Adding structures of 4330601 via cif-deposit CGI script.	4330601.cif