Crystallography Open Database

Information card for entry 7029358

Preview

Coordinates	7029358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 F3 N3 Ni O6
Calculated formula	C39 H32 F3 N3 Ni O6
Title of publication	Substituent-controlled preference of carbonyl group-metal coordination in d(8) metal complexes with non-symmetric pentadentate ligands. Structural and stereochemical aspects.
Authors of publication	Han, Jianlin; Ono, Taizo; Uekusa, Hidehiro; Klika, Karel D.; Soloshonok, Vadim A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	14
Pages of publication	5375 - 5381
a	9.648 ± 0.004 Å
b	13.897 ± 0.006 Å
c	16.27 ± 0.007 Å
α	66.87 ± 0.007°
β	74.393 ± 0.007°
γ	87.648 ± 0.008°
Cell volume	1927 ± 1.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
179999 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/93.	7029358.cif
107132	2014-03-18	cif/ Adding structures of 7029357, 7029358, 7029359 via cif-deposit CGI script.	7029358.cif