Crystallography Open Database

Information card for entry 1564091

Preview

Coordinates	1564091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127.5 H115 B2 Cl3 Fe N2 O6 P6
Calculated formula	C127.5 H115 B2 Cl3 Fe N2 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	20.8796 ± 0.0007 Å
b	18.2086 ± 0.0006 Å
c	28.8297 ± 0.0009 Å
α	90°
β	90.896 ± 0.003°
γ	90°
Cell volume	10959.4 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.1277
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.17
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
267431 (current)	2021-07-09	cif/ Adding structures of 1564090, 1564091, 1564092, 1564093, 1564094 via cif-deposit CGI script.	1564091.cif