{4,10-Bis[2-(2-oxidobenzylideneamino-κ^2^<i>N</i>,<i>O</i>)benzyl]-1,7-dioxa-4,10-diazacyclododecane-κ^4^<i>O</i>^1^,<i>N</i>^4^,<i>O</i>^3^,<i>N</i>^10^}ytterbium(III) perchlorate acetonitrile solvate
González-Lorenzo, Marina; De Blas, Andres; Esteban-Gómez, David; Platas-Iglesias, Carlos; Rodríguez-Blas, Teresa; Acta Crystallographica Section C 62 (2006) m360–m362; doi:10.1107/S0108270106023833

data_2015513
_publ_section_title
;{4,10-Bis[2-(2-oxidobenzylideneamino-\k^2^<i>N</i>,<i>O</i>)benzyl]-1,7-dioxa-4,10-diazacyclododecane-\k^4^<i>O</i>^1^,<i>N</i>^4^,<i>O</i>^3^,<i>N</i>^10^}ytterbium(III)
 perchlorate acetonitrile solvate
;
_journal_coeditor_code           OB3011
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m360
_journal_page_last               m362
_journal_paper_doi               10.1107/S0108270106023833
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Yb (C36 H38 N4 O4)] Cl O4, C2 H3 N'
_chemical_formula_moiety         'C36 H38 N4 O4 Yb +, Cl O4 -, C2 H3 N'
_chemical_formula_sum            'C38 H41 Cl N5 O8 Yb'
_chemical_formula_weight         904.25
_chemical_name_systematic
;
{4,10-Bis[2-(2-oxidobenzylideneamino-\k^2^N,O)benzyl]-1,7-dioxa-4,10-
diazacyclododecane-\k^4^N^4^,N^10^,O^1,O^7^}ytterbium(III)
perchlorate acetonitrile solvate
;
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc '
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 95.347(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.901(2)
_cell_length_b                   13.855(3)
_cell_length_c                   21.936(4)
_cell_measurement_reflns_used    1499
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.289
_cell_measurement_theta_min      2.3745
_cell_volume                     3601.3(12)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF99 (Beurskens <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Siemens SMART CCD 1000'
_diffrn_measurement_method       '\f and \w'
_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  0.0417
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            65102
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        0.05
_diffrn_standards_interval_count 'set of frames'
_diffrn_standards_number         '50 first frames'
_exptl_absorpt_coefficient_mu    2.732
_exptl_absorpt_correction_T_max  0.49
_exptl_absorpt_correction_T_min  0.347
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1820
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.738
_refine_diff_density_min         -0.847
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         8961
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_gt           0.0201
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0135P)^2^+3.2740P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.046
_reflns_number_gt                7644
_reflns_number_total             8961
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob3011.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2015513