Crystallography Open Database

Information card for entry 4339679

Preview

Coordinates	4339679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 Cl2 N6 O6.5 P3 Zn
Calculated formula	C36 H27 Cl2 N6 O6 P3 Zn
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	11.7837 ± 0.0002 Å
b	14.1371 ± 0.0003 Å
c	14.4231 ± 0.0003 Å
α	109.944 ± 0.001°
β	95.733 ± 0.001°
γ	112.58 ± 0.001°
Cell volume	2010.35 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	4339679.cif
117470	2014-06-15	cif/ Adding structures of 4339674, 4339675, 4339676, 4339677, 4339678, 4339679, 4339680, 4339681, 4339682 via cif-deposit CGI script.	4339679.cif