One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)
Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.; CrystEngComm 4 (2002) 613–; doi:10.1039/b209938a

data_7216564
_publ_section_title
;
 One-dimensional coordination polymers generated from
 1,2-bis(x-pyridyl)butadiyne (x&#xFFFD;= 3 and 4) and
 bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)
;
_journal_issue                   103
_journal_name_full               CrystEngComm
_journal_page_first              613
_journal_paper_doi               10.1039/b209938a
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'C24 H10 Cu F12 N2 O4'
_chemical_formula_weight         681.88
_chemical_name_common
;
Complex between 1,2-bis(3-pyridyl)butadiyne and 
bis(hexafluoroacetylacetonate)Cu
;
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.1940(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.0304(4)
_cell_length_b                   13.8823(7)
_cell_length_c                   12.0812(6)
_cell_measurement_temperature    173(2)
_cell_volume                     1293.38(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0156
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14995
_diffrn_reflns_theta_full        28.73
_diffrn_reflns_theta_max         28.73
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    '9.66 cm-1'
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             674
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.847
_refine_diff_density_min         -0.553
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         3340
_refine_ls_number_restraints     216
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0646P)^2^+0.6645P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1060
_reflns_number_gt                2847
_reflns_number_total             3340
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b209938a.txt
_cod_data_source_block           Compound_1
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7216564