Mediating Oxidation States in Decamethyleuropocene Complexes. The Role of the Diazabutadiene Fragment
Moore, Jennifer A.; Cowley, Alan H.; Gordon, John C.; Organometallics 25 (2006) 5207–; doi:10.1021/om060793j

data_4074567
_publ_section_title
;
 Mediating Oxidation States in Decamethyleuropocene Complexes. The Role of
 the Diazabutadiene Fragment
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5207
_journal_paper_doi               10.1021/om060793j
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C80 H80 Eu2 F20 N4'
_chemical_formula_sum            'C80 H80 Eu2 F20 N4'
_chemical_formula_weight         1781.40
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_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
manual editing of the .cif file 
created by SHELXTL Ver. 6.10 
;
_cell_angle_alpha                90
_cell_angle_beta                 107.777(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   36.315(5)
_cell_length_b                   9.444(5)
_cell_length_c                   22.422(5)
_cell_measurement_temperature    153(2)
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_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_data_reduction
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
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_computing_structure_solution
;
SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_diffrn_ambient_temperature      153(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
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_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
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_exptl_absorpt_correction_T_min  0.853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'DENZO and Scalepack (Otwinoski and Minor, 1997)'
_exptl_crystal_colour            green
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_exptl_crystal_density_method    none
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_exptl_crystal_F_000             3576
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_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.32
_refine_diff_density_max         2.328
_refine_diff_density_min         -0.965
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_refine_ls_extinction_coef       0.00115(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         8391
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0741P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1159
_refine_ls_wR_factor_ref         0.1279
_reflns_number_gt                6101
_reflns_number_total             8391
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060793jsi20060831_010133.cif
_cod_data_source_block           Compound_5
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4074567