Crystallography Open Database

Information card for entry 4339681

Preview

Coordinates	4339681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.5 H35.75 Br2 Co N8.25 O6 P3
Calculated formula	C38.428 H35.642 Br2 Co N8.214 O6 P3
Title of publication	Conformationally rigid chelate rings in metal complexes of pyridyloxy-substituted 2,2'-dioxybiphenyl-cyclotetra- and cyclotriphosphazene platforms.
Authors of publication	Ainscough, Eric W.; Brodie, Andrew M.; Derwahl, Andreas; Kirk, Steve; Otter, Carl A.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9841 - 9852
a	12.9529 ± 0.0002 Å
b	10.5835 ± 0.0001 Å
c	31.5286 ± 0.0001 Å
α	90°
β	94.63°
γ	90°
Cell volume	4308.06 ± 0.08 Å³
Cell temperature	357 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339681.cif
117470	2014-06-15	cif/ Adding structures of 4339674, 4339675, 4339676, 4339677, 4339678, 4339679, 4339680, 4339681, 4339682 via cif-deposit CGI script.	4339681.cif