Crystallography Open Database

Information card for entry 7016582

Preview

Coordinates	7016582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H96 Cs2 Mn10 N18 O42
Calculated formula	C80 H90 Cs2 Mn10 N18 O42
Title of publication	Approaching polymetallic 'Assemblies of Assemblies' using ligands with multiple functionality - novel Mn(10)M(2) (M = alkali metal) chains with 'ionophoric' end cavities.
Authors of publication	Anwar, Muhammad Usman; Dawe, Louise Nicole; Thompson, Laurence Kenneth
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	32
Pages of publication	8079 - 8082
a	21.111 ± 0.012 Å
b	17.0489 ± 0.001 Å
c	17.781 ± 0.001 Å
α	90°
β	92.586 ± 0.007°
γ	90°
Cell volume	6393 ± 4 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.101
Residual factor for significantly intense reflections	0.094
Weighted residual factors for significantly intense reflections	0.2794
Weighted residual factors for all reflections included in the refinement	0.2867
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179869 (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 7/01/65.	7016582.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016582.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016582.cif
27467	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7016582 via cif-deposit CGI script.	7016582.cif