Crystallography Open Database

Information card for entry 4339675

Preview

Coordinates	4339675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 Cl4 Cu2 N8 O8 P4
Calculated formula	C48 H40 Cl4 Cu2 N8 O9.002 P4
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	23.6564 ± 0.0003 Å
b	23.6564 ± 0.0003 Å
c	24.307 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	13602.8 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1608
Weighted residual factors for all reflections included in the refinement	0.1655
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
179499 (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 4/33/96.	4339675.cif
117470	2014-06-15	cif/ Adding structures of 4339674, 4339675, 4339676, 4339677, 4339678, 4339679, 4339680, 4339681, 4339682 via cif-deposit CGI script.	4339675.cif