Crystallography Open Database

Information card for entry 7032919

Preview

Coordinates	7032919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H54 N12 Ni5 O7 S6
Calculated formula	C44 H35.94 N12 Ni5 O2 S6
Title of publication	A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.
Authors of publication	Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	2
Pages of publication	560 - 567
a	18.546 ± 0.003 Å
b	18.546 ± 0.003 Å
c	29.647 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	8831 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.22
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
180035 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/29.	7032919.cif
131013	2015-02-04	cif/ Updating files of 7032912, 7032913, 7032914, 7032915, 7032916, 7032917, 7032918, 7032919 Original log message: Adding full bibliography for 7032912--7032919.cif.	7032919.cif
125828	2014-10-25	cif/ Adding structures of 7032912, 7032913, 7032914, 7032915, 7032916, 7032917, 7032918, 7032919 via cif-deposit CGI script.	7032919.cif