Crystallography Open Database

Information card for entry 7016623

Preview

Coordinates	7016623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C140 H120 B8 F32 N40 Ni4 S6
Calculated formula	C139 H118.5 B4.5 F18 N39.5 Ni4 S6
Title of publication	Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.
Authors of publication	Stephenson, Andrew; Ward, Michael D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	40
Pages of publication	10360 - 10369
a	43.1698 ± 0.0008 Å
b	18.8181 ± 0.0004 Å
c	20.4261 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	16593.6 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.1723
Residual factor for significantly intense reflections	0.1381
Weighted residual factors for significantly intense reflections	0.3704
Weighted residual factors for all reflections included in the refinement	0.3966
Goodness-of-fit parameter for all reflections included in the refinement	1.433
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
179870 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/66.	7016623.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016623.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016623.cif
28029	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7016619, 7016620, 7016621, 7016622, 7016623, 7016624, 7016625, 7016626 via cif-deposit CGI script.	7016623.cif