A variety of one-, two- and three-dimensional copper(I) and silver(I) co-ordination polymers assembled by 1,4-bis(4-pyridyl)butadiyne and 1,4-bis(2-pyridyl)butadiyne
Maekawa, Masahiko; Konaka, Hisashi; Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Journal of the Chemical Society, Dalton Transactions  (2000) 4160–4166; doi:10.1039/b005006g

data_7009984
_publ_section_title
;
 A variety of one-, two- and three-dimensional copper(I) and silver(I)
 co-ordination polymers assembled by 1,4-bis(4-pyridyl)butadiyne and
 1,4-bis(2-pyridyl)butadiyne
;
_journal_coden_ASTM              JCSDAA
_journal_issue                   22
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4160
_journal_page_last               4166
_journal_paper_doi               10.1039/b005006g
_journal_year                    2000
_chemical_formula_moiety         'C46 H34 Cu2 F12 N8 O2 P2 '
_chemical_formula_sum            'C46 H34 Cu2 F12 N8 O2 P2'
_chemical_formula_weight         1147.85
_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                113.349(1)
_cell_angle_beta                 91.187(2)
_cell_angle_gamma                106.020(1)
_cell_formula_units_Z            2
_cell_length_a                   12.639(2)
_cell_length_b                   15.558(2)
_cell_length_c                   16.5787(5)
_cell_measurement_reflns_used    12379
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_volume                     2845.4(6)
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SAPI91
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_measurement_method       w
_diffrn_radiation_type           'Mo Ka'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12379
_diffrn_reflns_theta_max         27.54
_exptl_absorpt_coefficient_mu    0.884
_exptl_absorpt_correction_T_max  0.915
_exptl_absorpt_correction_T_min  0.439
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       capillary
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.13
_refine_diff_density_min         -0.66
_refine_ls_extinction_coef       0.0338
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^l^3^/sin(2q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.256
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     650
_refine_ls_number_reflns         6748
_refine_ls_R_factor_gt           0.1110
_refine_ls_shift/su_max          -0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[s^2^(Fo^2^) + (0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3583
_reflns_number_gt                6748
_reflns_number_total             12379
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b005006g.txt
_cod_data_source_block           1
_cod_original_cell_volume        2845.3(5)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C46 H34 Cu2 F12 N8 O2 P2 '
_cod_database_code               7009984