Crystallography Open Database

Information card for entry 7210788

Preview

Coordinates	7210788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 Mn4 N4 O18
Calculated formula	C36 H52 Mn4 N4 O18
SMILES	O([Mn]12([O]3C(=O)C[N]45CCC[N]67Cc8c9c(cc(C)c8)C[N]8%10CCC[N]%11%12Cc%13c(c(cc(C)c%13)C4)[O]4%13[Mn]%14([O](C(=O)C6)[Mn]3574[O]19[Mn]%10%12%13([O]2C(=O)C%11)[O]%14C(=O)C8)(OC(=O)C)([OH2])[OH2])([OH2])[OH2])C(=O)C
Title of publication	A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties
Authors of publication	Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	25
Pages of publication	5168
a	10.2072 ± 0.0009 Å
b	10.7719 ± 0.0007 Å
c	11.5617 ± 0.0008 Å
α	114.506 ± 0.007°
β	109.613 ± 0.007°
γ	97.489 ± 0.006°
Cell volume	1034.31 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7210788.cif
90124	2013-11-17	cif/ Adding structures of 7210787, 7210788, 7210789, 7210790, 7210791, 7210792, 7210793, 7210794 via cif-deposit CGI script.	7210788.cif