Crystallography Open Database

Information card for entry 7119061

7119060 << 7119061 >> 7119062

Preview

Coordinates	7119061.cif

Structure parameters

Formula	C41 H38 Dy F9 N14 O9 S3
Calculated formula	C41 H38 Dy F9 N14 O9 S3
SMILES	[Dy]1234([n]5c(cccc5C(=[N]3Nc3ncccc3)C)C(=[N]1Nc1[n]2cccc1)C)[N](Nc1ncccc1)=C(c1nc(ccc1)C(=[N]4Nc1ncccc1)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Lanthanoid single-ion magnets with the LnN10 coordination geometry
Authors of publication	Zhong-Xia Jiang; Jun-Liang Liu; Yan-Cong Chen; Jiang Liu; Jian-Hua Jia; Ming-Liang Tong
Journal of publication	Chem.Commun.
Year of publication	2016
Journal volume	52
Pages of publication	6261
a	20.8179 ± 0.0009 Å
b	19.5864 ± 0.001 Å
c	24.4923 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	9986.7 ± 0.9 Å³
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.129
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191065 (current)	2017-01-29	cif/7/ (antanas@kurmis) Changing the data item names _geom_angle_atom_site_symbol_1, _geom_angle_atom_site_symbol_2, _geom_angle_atom_site_symbol_3, _geom_bond_atom_site_symbol_1, _geom_bond_atom_site_symbol_2, _geom_torsion_atom_site_symbol_1, _geom_torsion_atom_site_symbol_2, _geom_torsion_atom_site_symbol_3, _geom_torsion_atom_site_symbol_4 to _geom_angle_atom_site_label_1, _geom_angle_atom_site_label_2, _geom_angle_atom_site_label_3, _geom_bond_atom_site_label_1, _geom_bond_atom_site_label_2, _geom_torsion_atom_site_label_1, _geom_torsion_atom_site_label_2, _geom_torsion_atom_site_label_3, _geom_torsion_atom_site_label_4 in entries 7119061, 7219921, 7219927.	7119061.cif
184029	2016-06-28	cif/ Adding structures of 7119061, 7119062 via cif-deposit CGI script.	7119061.cif