Crystallography Open Database

Information card for entry 7037101

Preview

Coordinates	7037101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H99.5 La4 Mn8 N8.5 O51.5
Calculated formula	C117 H94 La4 Mn8 N8 O51
Title of publication	Dodenuclear [MnLn] clusters with 2-(hydroxymethyl)pyridine: syntheses, structures, and magnetic properties.
Authors of publication	Sun, Lei; Chen, Hui; Ma, Chengbing; Chen, Changneng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	48
Pages of publication	20964 - 20971
a	14.3054 ± 0.0004 Å
b	14.7076 ± 0.0004 Å
c	17.1296 ± 0.0004 Å
α	66.248 ± 0.002°
β	88.795 ± 0.002°
γ	84.011 ± 0.002°
Cell volume	3279.89 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7037101.cif
171143	2015-12-09	cif/ Updating files of 7037101, 7037102 Original log message: Adding full bibliography for 7037101--7037102.cif.	7037101.cif
170192	2015-11-07	cif/ Adding structures of 7037101, 7037102 via cif-deposit CGI script.	7037101.cif