Crystallography Open Database

Information card for entry 7052638

Preview

Coordinates	7052638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.75 H72.75 B2 F8 Fe N19.25 Ni3 O2.25
Calculated formula	C85.75 H72.75 B2 F8 Fe N19.25 Ni3 O2.25
Title of publication	Synthesis of 3- and 5-formyl-4-phenyl-1H-pyrazoles: promising head units for the generation of asymmetric imine ligands and mixed metal polynuclear complexes
Authors of publication	Olguín, Juan; Brooker, Sally
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	6
Pages of publication	1242
a	12.5943 ± 0.0016 Å
b	18.395 ± 0.002 Å
c	20.037 ± 0.003 Å
α	84.789 ± 0.007°
β	85.699 ± 0.007°
γ	70.209 ± 0.006°
Cell volume	4344.9 ± 1 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 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	0.0922
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1914
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052638.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052638.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052638.cif
23550	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052636, 7052637, 7052638 via cif-deposit CGI script.	7052638.cif