An unusual alternating ferro- and antiferromagnetic 1D hydrogen-bonded µ2-1,3-azide-bridged copper(II) complex: a dominant ferromagnetic couplingElectronic supplementary information (ESI) available: EPR spectra of 1 (Fig. S1) and fit of χMT data with the binuclear model (Fig. S2). See http://www.rsc.org/suppdata/nj/b1/b108511p/
Xie, Yongshu; Liu, Qingliang; Jiang, Hui; Du, Chenxia; Xu, Xiaolong; Yu, Minggao; Zhu, Yu; New Journal of Chemistry 26 (2002) 176–; doi:10.1039/b108511p

data_7050721
_publ_section_title
;
 An unusual alternating ferro- and antiferromagnetic 1D hydrogen-bonded
 &#x00B5;2-1,3-azide-bridged copper(II) complex: a dominant
 ferromagnetic couplingElectronic supplementary information (ESI)
 available: EPR spectra of 1 (Fig. S1) and fit of \cMT data with the
 binuclear model (Fig. S2). See
 http://www.rsc.org/suppdata/nj/b1/b108511p/
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              176
_journal_paper_doi               10.1039/b108511p
_journal_volume                  26
_journal_year                    2002
_chemical_formula_sum            'C16 H20 Cu N8'
_chemical_formula_weight         417.84
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.23(3)
_cell_angle_beta                 109.13(3)
_cell_angle_gamma                97.09(3)
_cell_formula_units_Z            2
_cell_length_a                   8.1175(16)
_cell_length_b                   9.4246(19)
_cell_length_c                   12.362(3)
_cell_measurement_temperature    293(2)
_cell_volume                     881.9(4)
_computing_cell_refinement       Raxis
_computing_data_collection       Raxis
_computing_data_reduction        raxis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.778
_diffrn_measured_fraction_theta_max 0.778
_diffrn_measurement_device_type  'Rigaku Raxis-IV'
_diffrn_measurement_method       'Oscillation frames'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0708
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3169
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.263
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             414
_refine_diff_density_max         0.652
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       0.000(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3169
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.613
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0742P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1252
_refine_ls_wR_factor_ref         0.1403
_reflns_number_gt                2404
_reflns_number_total             3169
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b108511p.txt
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_original_cell_volume        881.9(3)
_cod_database_code               7050721