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_7051310
_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            'C19 H18 Cu N4 O8'
_chemical_formula_weight         493.92
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.1(2)
_cell_length_b                   25.4(2)
_cell_length_c                   12.0(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.6
_cell_measurement_theta_min      14.1
_cell_volume                     3993(10)
_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    SHELXS86
_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  4.383
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5119
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        1.11
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.157
_exptl_absorpt_correction_T_max  0.793
_exptl_absorpt_correction_T_min  0.620
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.651
_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         0.90
_refine_diff_density_min         -1.22
_refine_ls_extinction_coef       0.0020(6)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     362
_refine_ls_number_reflns         3568
_refine_ls_R_factor_gt           0.046
_refine_ls_shift/su_max          0.1040
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00286|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0685
_reflns_number_gt                3568
_reflns_number_total             5119
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b002315i.txt
_cod_data_source_block           AntPyCu(NO3)2_from_MeOH-Me
_cod_original_cell_volume        3974(80)
_cod_original_sg_symbol_H-M      'P 21/b 21/c 21/a'
_cod_original_formula_sum        'C19 H18 Cu N4 O8 '
_cod_database_code               7051310