Crystallography Open Database

Information card for entry 4329421

Preview

Coordinates	4329421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H90 Co4 N22 O16 S2
Calculated formula	C95 H81 Co4 N21 O14 S2
Title of publication	Neutral Mononuclear, Dinuclear, Tetranuclear d7/d10 Metal Complexes Containing bis-Pyrazole/Pyridine Ligands Supported by 2,6-bis(3-Pyrazolyl)Pyridine: Synthesis, Structure, Spectra, and Catalytic Activity
Authors of publication	Lijuan Wan; Caishun Zhang; Yongheng Xing; Zhen Li; Na Xing; Liying Wan; Hui Shan
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6517 - 6528
a	16.6277 ± 0.0011 Å
b	17.5615 ± 0.0012 Å
c	20.0031 ± 0.0013 Å
α	74.794 ± 0.001°
β	66.376 ± 0.001°
γ	67.958 ± 0.001°
Cell volume	4917.1 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1874
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.2431
Weighted residual factors for all reflections included in the refinement	0.2893
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
179397 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/94.	4329421.cif
78478	2013-04-02	cif/ Adding structures of 4329421 via cif-deposit CGI script.	4329421.cif