Two-dimensional metamagnet composed of cyano-bridged Cu^II^‒WV bimetallic assembly
Ohkoshi, Shin-ichi; Arimoto, Yoichi; Hozumi, Toshiya; Seino, Hidetake; Mizobe, Yasushi; Hashimoto, Kazuhito; Chemical Communications (Cambridge, United Kingdom)  (2003) 2772–2773; doi:10.1039/b310456g

data_7113481
_publ_section_title
;
 Two-dimensional metamagnet composed of cyano-bridged Cu^II^--WV bimetallic
 assembly
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   22
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              2772
_journal_page_last               2773
_journal_paper_doi               10.1039/b310456g
_journal_year                    2003
_chemical_formula_moiety
;
[{Cu(L)2(H2O)}2{Cu(L)2(H2O)2}{W(CN)8}2]_(L=3-cyanopyridine)
;
_chemical_formula_sum            'C52 H32 Cu3 N28 O4 W2'
_chemical_formula_weight         1671.34
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                78.73(2)
_cell_angle_beta                 86.69(2)
_cell_angle_gamma                86.98(1)
_cell_formula_units_Z            1
_cell_length_a                   10.103(1)
_cell_length_b                   12.361(2)
_cell_length_c                   12.700(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      17.8
_cell_measurement_theta_min      15.1
_cell_volume                     1551.4(6)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_measured_fraction_theta_full 0.9976
_diffrn_measured_fraction_theta_max 0.9976
_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  0.020
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7452
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_standards_decay_%        -9.74
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.777
_exptl_absorpt_correction_T_max  0.488
_exptl_absorpt_correction_T_min  0.229
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             807.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.85
_refine_diff_density_min         -2.70
_refine_ls_extinction_coef       108.3(8)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_number_parameters     464
_refine_ls_number_reflns         6504
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.0040
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0012Fo^2^ + 1.0000\s^2^(Fo) + 0.0000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0840
_reflns_number_gt                6504
_reflns_number_total             7131
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_duplicate_entry             7104906
_cod_data_source_file            b310456g.txt
_cod_data_source_block
'[{Cu(L)2(H2O)}2{Cu(L)2(H2O)2}{W(CN)8}2]_(L=3-cyanopyridine)'
_cod_original_cell_volume        1551.3(6)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C52 H32 Cu3 N28 O4 W2 '
_cod_database_code               7113481