Di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>'-bis[(5,5'-dimethyl-2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)ytterbium(III)] tetraphenylborate 5,5'-dimethyl-2,2-bipyridine
Daniel Kazhdan; Acta Crystallographica Section E 64 (2008) m435–m435; doi:10.1107/S1600536808002791

data_2217628
_publ_section_title
;Di-\m-hydroxido-\k^4^<i>O</i>:<i>O</i>-\m-trifluoromethanesulfonato-\k^2^<i>O</i>:<i>O</i>'-bis[(5,5'-dimethyl-2,2-bipyridine-\k^2^<i>N</i>,<i>N</i>')(\h^5^-pentamethylcyclopentadienyl)ytterbium(III)]
 tetraphenylborate 5,5'-dimethyl-2,2-bipyridine
;
_journal_coeditor_code           PV2065
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m435
_journal_page_last               m435
_journal_paper_doi               10.1107/S1600536808002791
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Yb2 (C F3 O3 S) (C10 H15)2 (O H)2 (C12 H12 N2)2] (C24 H20 B), C12 H12 N2'
_chemical_formula_moiety
'C45 H56 F3 N4 O5 S Yb2 +, C24 H20 B -, C12 H12 N2'
_chemical_formula_sum            'C81 H88 B F3 N6 O5 S Yb2'
_chemical_formula_weight         1671.57
_chemical_melting_point          '518 (with decomposition)'
_chemical_name_systematic
;
Di-\m-hydroxido-\k^4^O:O-\m-trifluoromethanesulfonato-\k^2^O:O'-bis[(5,5'-
dimethyl-2,2-bipyridine-\k^2^N,N')(\h^5^-
pentamethylcyclopentadienyl)ytterbium(III)]
tetraphenylborate 5,5'-dimethyl-2,2-bipyridine
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.2150(10)
_cell_angle_beta                 86.6690(10)
_cell_angle_gamma                68.1610(10)
_cell_formula_units_Z            2
_cell_length_a                   13.0458(8)
_cell_length_b                   13.7179(9)
_cell_length_c                   23.3306(15)
_cell_measurement_reflns_used    4695
_cell_measurement_temperature    130.0(10)
_cell_measurement_theta_max      24.8
_cell_measurement_theta_min      2.4
_cell_volume                     3867.4(4)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'TEXSAN (MSC/Rigaku, 1998)'
_computing_publication_material  'TEXSAN (MSC/Rigaku, 1998)'
_computing_structure_refinement  'TEXSAN (MSC/Rigaku, 1998)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_measured_fraction_theta_full 0.9718
_diffrn_measured_fraction_theta_max 0.9718
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            20924
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.491
_exptl_absorpt_correction_T_max  0.819
_exptl_absorpt_correction_T_min  0.691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1688.00
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.59
_refine_diff_density_min         -2.03
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.385
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     892
_refine_ls_number_reflns         9459
_refine_ls_R_factor_all          0.0850
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.0017
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0463
_refine_ls_wR_factor_ref         0.0395
_reflns_number_gt                9459
_reflns_number_total             15784
_reflns_threshold_expression     F^2^>3\s(F^2^)
_cod_data_source_file            pv2065.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C81 H88 B F3 N6 O5 S Yb2 '
_cod_database_code               2217628