Ferromagnetic coupling in a 1D coordination polymer containing a symmetric [Cu(mu1,1-N3)2Cu(mu1,1-N3)2Cu]2+ core and based on an organic ligand obtained from the solid state.
Stamatatos, Theocharis C.; Papaefstathiou, Giannis S.; MacGillivray, Leonard R.; Escuer, Albert; Vicente, Ramon; Ruiz, Eliseo; Perlepes, Spyros P.; Inorganic chemistry 46 (2007) 8843–8850; doi:10.1021/ic070018b

data_4339615
_publ_section_title
;
 Ferromagnetic coupling in a 1D coordination polymer containing a
 symmetric [Cu(mu1,1-N3)2Cu(mu1,1-N3)2Cu]2+ core and based on an organic
 ligand obtained from the solid state.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8843
_journal_page_last               8850
_journal_paper_doi               10.1021/ic070018b
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C30 H34 Cu3 N24 O2'
_chemical_formula_weight         953.43
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.528(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.2656(10)
_cell_length_b                   18.1161(18)
_cell_length_c                   10.3473(10)
_cell_measurement_temperature    190(2)
_cell_volume                     1924.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      190(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0796
_diffrn_reflns_av_sigmaI/netI    0.0599
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9434
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.12
_exptl_absorpt_coefficient_mu    1.709
_exptl_absorpt_correction_T_max  0.8754
_exptl_absorpt_correction_T_min  0.7372
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             970
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.571
_refine_diff_density_min         -0.652
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.246
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         2513
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.246
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0549
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0685P)^2^+3.7607P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1394
_reflns_number_gt                2351
_reflns_number_total             2513
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070018b-file003.cif
_cod_data_source_block           mac393
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4339615