Dimeric complexes of lithium and sodium forming a tetrametallacyclobuta[1,2:1,4:2,3:3,4]tetracyclopentane structure
Jenter, Jelena; Roesky, Peter W.; New Journal of Chemistry 34 (2010) 1541–; doi:10.1039/b9nj00651f

data_7053414
_publ_section_title
;
 Dimeric complexes of lithium and sodium forming a
 tetrametallacyclobuta[1,2:1,4:2,3:3,4]tetracyclopentane structure
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1541
_journal_paper_doi               10.1039/b9nj00651f
_journal_volume                  34
_journal_year                    2010
_chemical_formula_sum            'C70.5 H88 N6 Na2'
_chemical_formula_weight         1065.45
_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                83.20(3)
_cell_angle_beta                 80.33(3)
_cell_angle_gamma                80.59(3)
_cell_formula_units_Z            2
_cell_length_a                   11.205(2)
_cell_length_b                   12.304(3)
_cell_length_c                   24.047(5)
_cell_measurement_temperature    200(2)
_cell_volume                     3210.1(12)
_computing_cell_refinement       'STOE X-AREA, PLATON (A.L.Spek, 2005)'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED, PLATON (A.L.Spek, 2005)'
_computing_molecular_graphics    'Diamond 2.1e/3'
_computing_publication_material  'X-STEP32, Microsoft Word'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'area detector'
_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  0.0724
_diffrn_reflns_av_sigmaI/netI    0.0745
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            26156
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.102
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1150
_exptl_crystal_size_max          0.258
_exptl_crystal_size_mid          0.182
_exptl_crystal_size_min          0.139
_refine_diff_density_max         0.760
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     725
_refine_ls_number_reflns         12534
_refine_ls_number_restraints     202
_refine_ls_restrained_S_all      1.472
_refine_ls_R_factor_all          0.1129
_refine_ls_R_factor_gt           0.0699
_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^)+(0.1101P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1774
_refine_ls_wR_factor_ref         0.1976
_reflns_number_gt                7886
_reflns_number_total             12534
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b9nj00651f.txt
_cod_data_source_block           3
_cod_original_cell_volume        3210.2(11)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C70.50 H88 N6 Na2'
_cod_database_code               7053414