Crystallography Open Database

Information card for entry 1564094

Preview

Coordinates	1564094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H84 B2 Cu F8 N6 O6 P6
Calculated formula	C86 H84 B2 Cu F8 N6 O6 P6
Title of publication	Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes
Authors of publication	Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119870
a	12.3925 ± 0.0009 Å
b	13.0398 ± 0.001 Å
c	13.8009 ± 0.001 Å
α	72.638 ± 0.007°
β	89.866 ± 0.006°
γ	79.572 ± 0.006°
Cell volume	2090.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1051
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1638
Weighted residual factors for all reflections included in the refinement	0.2031
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267431 (current)	2021-07-09	cif/ Adding structures of 1564090, 1564091, 1564092, 1564093, 1564094 via cif-deposit CGI script.	1564094.cif