Crystallography Open Database

Information card for entry 4342154

Preview

Coordinates	4342154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H80 B2 Fe2 N8 Ni2 P2
Calculated formula	C73 H80 B2 Fe2 N8 Ni2 P2
Title of publication	Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II).
Authors of publication	Abubekerov, Mark; Diaconescu, Paula L.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1778 - 1784
a	24.5034 ± 0.0014 Å
b	17.7143 ± 0.001 Å
c	16.2571 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7056.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
179524 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/21.	4342154.cif
132781	2015-03-04	cif/ Updating files of 4342151, 4342152, 4342153, 4342154, 4342155, 4342156 Original log message: Adding full bibliography for 4342151--4342156.cif.	4342154.cif
130388	2015-02-04	cif/ Adding structures of 4342151, 4342152, 4342153, 4342154, 4342155, 4342156 via cif-deposit CGI script.	4342154.cif