Crystallography Open Database

Information card for entry 7005361

Preview

Coordinates	7005361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H88 N10 Ni2 O15 S2
Calculated formula	C68 H84 N10 Ni2 O15 S2
Title of publication	Ligand-controlled nuclearity in nickel bis(benzimidazolyl) complexes.
Authors of publication	Lee, Way-Zen; Tseng, Huan-Sheng; Kuo, Ting-Shen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	24
Pages of publication	2563 - 2570
a	11.315 ± 0.0001 Å
b	12.765 ± 0.0002 Å
c	12.94 ± 0.0002 Å
α	85.837 ± 0.001°
β	89.379 ± 0.001°
γ	69.304 ± 0.001°
Cell volume	1743.56 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0749
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1693
Weighted residual factors for all reflections included in the refinement	0.1756
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
179757 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/53.	7005361.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005361.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005361.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005361.cif