Crystallography Open Database

Information card for entry 7201285

7201284 << 7201285 >> 7201286

Preview

Coordinates	7201285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 N6 Ni O20 S2
Calculated formula	C50 H52 N6 Ni O20 S2
Title of publication	Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands
Authors of publication	Miao, Xiao-He; Zhu, Long-Guan
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2500
a	12.875 ± 0.003 Å
b	14.763 ± 0.004 Å
c	15.643 ± 0.004 Å
α	107.09 ± 0.004°
β	94.328 ± 0.004°
γ	106.234 ± 0.004°
Cell volume	2688.2 ± 1.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0771
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
180343 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/12.	7201285.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201285.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201285.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201285.cif