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_7216565
_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            'C12 H5 F6 Mn N O2'
_chemical_formula_weight         364.11
_chemical_name_common
;
Complex between 1,2-bis(4-pyridyl)butadiyne and 
bis(hexafluoroacetylacetonate)Mn 
;
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.648(2)
_cell_angle_beta                 101.102(3)
_cell_angle_gamma                92.668(2)
_cell_formula_units_Z            2
_cell_length_a                   6.6626(9)
_cell_length_b                   9.3393(12)
_cell_length_c                   10.5602(13)
_cell_measurement_temperature    173(2)
_cell_volume                     635.54(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0890
_diffrn_reflns_av_sigmaI/netI    0.1525
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7619
_diffrn_reflns_theta_full        28.88
_diffrn_reflns_theta_max         28.88
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    '11.19 cm-1'
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             358
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.344
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.929
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     225
_refine_ls_number_reflns         3276
_refine_ls_number_restraints     45
_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.1571
_refine_ls_R_factor_gt           0.0641
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
calc w=1/[\s^2^(Fo^2^)+(0.0599P)^2^+0.0000P] where 
P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1221
_refine_ls_wR_factor_ref         0.1489
_reflns_number_gt                1553
_reflns_number_total             3276
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b209938a.txt
_cod_data_source_block           Compound_4
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7216565