Ferromagnetic Interactions in an Unusual 2D Coordination Polymer Including Di-2-pyridylketone-Methoxilated Anion, (1,1)-Azide, and Rare (1,1,3,3)-Azide Bridging Ligands
Pinta, Noelia De la; Serna, Zurine; Madariaga, Gotzon; Urtiaga, M. Karmele; Fidalgo, M. Luz; Cortés, Roberto; Crystal Growth & Design 11 (2011) 1458–; doi:10.1021/cg200267x

data_4500772
_publ_section_title
;
 Ferromagnetic Interactions in an Unusual 2D Coordination Polymer
 Including Di-2-pyridylketone-Methoxilated Anion, (1,1)-Azide, and Rare
 (1,1,3,3)-Azide Bridging Ligands
;
_journal_issue                   5
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              1458
_journal_paper_doi               10.1021/cg200267x
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C12 H11 Cu2 N11 O2'
_chemical_formula_sum            'C12 H11 Cu2 N11 O2'
_chemical_formula_weight         468.4
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_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_date             2010-12-16T14:08:48-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.53(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.832(2)
_cell_length_b                   11.363(4)
_cell_length_c                   13.731(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      11.087
_cell_measurement_theta_min      6.561
_cell_volume                     1684.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_unetI/netI     0.022
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -3
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5298
_diffrn_reflns_theta_full        29.98
_diffrn_reflns_theta_max         29.98
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    2.561
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.847
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.751
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.195
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4899
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0797P)^2^+0.6295P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1285
_reflns_number_gt                3811
_reflns_number_total             4899
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            cg200267x_si_002.cif
_cod_data_source_block           cudpkn3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4500772