Crystallography Open Database

Information card for entry 7018184

Preview

Coordinates	7018184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.53 H111.12 K Mn4 O30.53 S8
Calculated formula	C85.5306 H111.122 K Mn4 O30.5306 S8
Title of publication	Tetranuclear manganese(ii) complexes of sulfonylcalix[4]arene macrocycles: synthesis, structure, spectroscopic and magnetic properties.
Authors of publication	Lamouchi, Meriem; Jeanneau, Erwann; Pillonnet, Anne; Brioude, Arnaud; Martini, Matteo; Stéphan, Olivier; Meganem, Faouzi; Novitchi, Ghenadie; Luneau, Dominique; Desroches, Cédric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	9
Pages of publication	2707 - 2713
a	12.2087 ± 0.0004 Å
b	18.8106 ± 0.0005 Å
c	22.2153 ± 0.0007 Å
α	90°
β	105.222 ± 0.003°
γ	90°
Cell volume	4922.8 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for all reflections	0.1197
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.0487
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179885 (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 7/01/81.	7018184.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018184.cif
37677	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018183, 7018184 via cif-deposit CGI script.	7018184.cif