Crystallography Open Database

Information card for entry 7016621

Preview

Coordinates	7016621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H156 B8 F32 N52 Ni4 O38
Calculated formula	C148 H156 B8 F32 N52 Ni4 O38
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	13.0255 ± 0.0004 Å
b	19.7988 ± 0.0007 Å
c	20.0373 ± 0.0007 Å
α	112.172 ± 0.002°
β	98.864 ± 0.002°
γ	94.268 ± 0.002°
Cell volume	4678.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1485
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.2089
Weighted residual factors for all reflections included in the refinement	0.239
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
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.	7016621.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016621.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016621.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.	7016621.cif