Copolymerization of Fe4Cu2C(CO)12 moieties with bidentate N-ligands: synthesis and crystal structure of the [Fe4Cu2(μ6-C)(CO)12(μ-bipy)]4·8THF square tetramer and the infinite [Fe4Cu2(μ6-C)(CO)12(μ-L‒L)]∞zigzag chains
Femoni, Cristina; Della Pergola, Roberto; Iapalucci, Maria Carmela; Kaswalder, Francesco; Riccò, Mauro; Zacchini, Stefano; Dalton Transactions  (2009) 1509–1511; doi:10.1039/b821639h

data_7000601
_publ_section_title
;
 Copolymerization of Fe4Cu2C(CO)12 moieties with bidentate N-ligands:
 synthesis and crystal structure of the
 [Fe4Cu2(\m6-C)(CO)12(\m-bipy)]4&#x00B7;8THF square tetramer and the
 infinite [Fe4Cu2(\m6-C)(CO)12(\m-L--L)]\\infty zigzag chains
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              1509
_journal_page_last               1511
_journal_paper_doi               10.1039/b821639h
_journal_year                    2009
_chemical_formula_sum            'C17 H4 Cu2 Fe4 N2 O12'
_chemical_formula_weight         778.70
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 93.389(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.977(3)
_cell_length_b                   15.892(6)
_cell_length_c                   15.024(4)
_cell_measurement_reflns_used    1146
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      17.904
_cell_measurement_theta_min      2.3905
_cell_volume                     2378.0(13)
_computing_cell_refinement       'BRUKER AXS PROGRAMS'
_computing_data_collection       'BRUKER AXS PROGRAMS'
_computing_data_reduction        'BRUKER AXS PROGRAMS'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD Area Detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1466
_diffrn_reflns_av_sigmaI/netI    0.1104
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22511
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    4.196
_exptl_absorpt_correction_T_max  0.6790
_exptl_absorpt_correction_T_min  0.4874
_exptl_absorpt_correction_type   'empirical sadabs'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.175
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.641
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4183
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.1284
_refine_ls_R_factor_gt           0.0542
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0334P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0914
_refine_ls_wR_factor_ref         0.1199
_reflns_number_gt                2186
_reflns_number_total             4183
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b821639h.txt
_cod_data_source_block           p21n
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7000601