One-dimensional chains consisting of copper(II) ions and an orthogonal anthracene-pyrimidine derivative: hierarchical formation of high-dimensional networks and their magnetic properties
Ezuhara, Takayoshi; Endo, Ken; Matsuda, Kenji; Aoyama, Yasuhiro; New Journal of Chemistry 24 (2000) 609–; doi:10.1039/b002315i

data_7051309
_publ_section_title
;
 One-dimensional chains consisting of copper(II) ions and an orthogonal
 anthracene-pyrimidine derivative: hierarchical formation of
 high-dimensional networks and their magnetic properties
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              609
_journal_paper_doi               10.1039/b002315i
_journal_volume                  24
_journal_year                    2000
_chemical_formula_sum            'C22 H24 Cu N4 O8'
_chemical_formula_weight         536.00
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.75(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.734(4)
_cell_length_b                   7.248(3)
_cell_length_c                   22.423(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      15.0
_cell_volume                     2220.8(12)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            5738
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        3.00
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.042
_exptl_absorpt_correction_T_max  0.812
_exptl_absorpt_correction_T_min  0.776
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.99
_refine_diff_density_min         -0.87
_refine_ls_extinction_coef       0.009(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.514
_refine_ls_number_parameters     373
_refine_ls_number_reflns         4189
_refine_ls_R_factor_gt           0.045
_refine_ls_shift/su_max          0.0110
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00203|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0789
_reflns_number_gt                4189
_reflns_number_total             5738
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b002315i.txt
_cod_data_source_block           AntPy+Cu(NO3)2_from_EtOH
_cod_original_cell_volume        2220(1)
_cod_original_formula_sum        'C22 H24 Cu N4 O8 '
_cod_database_code               7051309