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_7104907
_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}2{Cu(L)2(H2O)2}{W(CN)8}2]_6(H2O)_(L=4-cyanopyridine)
;
_chemical_formula_sum            'C52 H40 Cu3 N28 O8 W2'
_chemical_formula_weight         1743.40
_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                79.49(2)
_cell_angle_beta                 89.55(2)
_cell_angle_gamma                73.32(1)
_cell_formula_units_Z            1
_cell_length_a                   10.219(2)
_cell_length_b                   10.441(2)
_cell_length_c                   16.094(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      18.5
_cell_measurement_theta_min      15.0
_cell_volume                     1615.5(5)
_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 0.9961
_diffrn_measured_fraction_theta_max 0.9961
_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  0.017
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7680
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_standards_decay_%        0.50
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.596
_exptl_absorpt_correction_T_max  0.725
_exptl_absorpt_correction_T_min  0.535
_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    1.792
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             847.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.07
_refine_diff_density_max         3.34
_refine_diff_density_min         -3.51
_refine_ls_extinction_coef       103.1(8)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     434
_refine_ls_number_reflns         6504
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.0160
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0014Fo^2^ + 1.0000\s^2^(Fo) + 0.0000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0930
_reflns_number_gt                6504
_reflns_number_total             7416
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b310456g.txt
_cod_data_source_block
'[{Cu(L)2}2{Cu(L)2(H2O)2}{W(CN)8}2]_6(H2O)_(L=4-cyanopyridine)'
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C52 H40 Cu3 N28 O8 W2 '
_cod_database_code               7104907