Anion-dependent construction of two hexanuclear 3d-4f complexes with a flexible Schiff base ligand.
Yang, Xiaoping; Chan, Christopher; Lam, Daniel; Schipper, Desmond; Stanley, Julie M.; Chen, Xiaoyan; Jones, Richard A.; Holliday, Bradley J.; Wong, Wai-Kwok; Chen, Shengchun; Chen, Qun; Dalton transactions (Cambridge, England : 2003) 41 (2012) 11449–11453; doi:10.1039/c2dt31268a

data_7030213
_publ_section_title
;
 Anion-dependent construction of two hexanuclear 3d-4f complexes with a
 flexible Schiff base ligand.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11449
_journal_page_last               11453
_journal_paper_doi               10.1039/c2dt31268a
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C22 H20 Cl Cu Eu N6 O6'
_chemical_formula_weight         715.39
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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                95.39(3)
_cell_angle_beta                 104.23(3)
_cell_angle_gamma                112.35(3)
_cell_formula_units_Z            3
_cell_length_a                   10.765(2)
_cell_length_b                   12.646(3)
_cell_length_c                   19.068(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2275.7(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(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     0.71073
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_av_sigmaI/netI    0.0715
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19984
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    2.878
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1053
_refine_diff_density_max         1.923
_refine_diff_density_min         -1.384
_refine_diff_density_rms         0.294
_refine_ls_extinction_coef       0.0022(4)
_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   1.185
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         7993
_refine_ls_number_restraints     342
_refine_ls_restrained_S_all      1.185
_refine_ls_R_factor_all          0.0846
_refine_ls_R_factor_gt           0.0586
_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^)+(0.0854P)^2^+12.1517P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1693
_refine_ls_wR_factor_ref         0.2069
_reflns_number_gt                6039
_reflns_number_total             7993
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31268a.txt
_cod_data_source_block           y
_cod_original_cell_volume        2275.9(8)
_cod_database_code               7030213