Crystallography Open Database

Information card for entry 4342151

Preview

Coordinates	4342151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 B Fe O2 P
Calculated formula	C24 H24 B Fe O2 P
SMILES	[Fe]12345678([c]9(B(OC)OC)[cH]1[cH]2[cH]3[cH]49)[c]1([cH]5[cH]6[cH]7[cH]81)P(c1ccccc1)c1ccccc1
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	8.7001 ± 0.0007 Å
b	16.5868 ± 0.0013 Å
c	14.4047 ± 0.0011 Å
α	90°
β	92.885 ± 0.0013°
γ	90°
Cell volume	2076.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4342151.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.	4342151.cif
130388	2015-02-04	cif/ Adding structures of 4342151, 4342152, 4342153, 4342154, 4342155, 4342156 via cif-deposit CGI script.	4342151.cif