Tetrakis(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')ytterbium(II) bis(μ~2~-phenylselenolato-κ^2^<i>Se</i>:<i>Se</i>)bis[bis(phenylselenolato-κ<i>Se</i>)mercurate(II)]
Romanelli, Michael D.; Emge, Thomas J.; Brennan, John G.; Acta Crystallographica Section E 64 (2008) m987–m988; doi:10.1107/S1600536808019211

data_2219150
_publ_section_title
;Tetrakis(1,2-dimethoxyethane-\k^2^<i>O</i>,<i>O</i>')ytterbium(II)
 bis(\m~2~-phenylselenolato-\k^2^<i>Se</i>:<i>Se</i>)bis[bis(phenylselenolato-\k<i>Se</i>)mercurate(II)]
;
_journal_coeditor_code           RZ2223
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m987
_journal_page_last               m988
_journal_paper_doi               10.1107/S1600536808019211
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Yb (C4 H10 O2)4] [Hg2 (C6 H5 Se)6]'
_chemical_formula_moiety         'C16 H40 O8 Yb 2+, C36 H30 Hg2 Se6 2-'
_chemical_formula_sum            'C52 H70 Hg2 O8 Se6 Yb'
_chemical_formula_weight         1871.06
_chemical_name_systematic
;
tetrakis(1,2-dimethoxyethane-\k^2^O,<i>O</i>')ytterbium(II)
bis(\m~2~-phenylselenolato-\k^2^Se:Se)bis[bis(phenylselenolato-
\kSe)mercurate(II)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.218(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.688(3)
_cell_length_b                   12.354(2)
_cell_length_c                   22.843(3)
_cell_measurement_reflns_used    7567
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.44
_cell_volume                     5839.1(14)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_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  0.0524
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            26008
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.92
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.622
_exptl_absorpt_correction_T_max  0.81
_exptl_absorpt_correction_T_min  0.18
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.128
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3520
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.496
_refine_diff_density_min         -0.733
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    280
_refine_ls_number_parameters     389
_refine_ls_number_reflns         5956
_refine_ls_number_restraints     734
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0282
_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^)+(0.025P)^2^+0.9P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0612
_refine_ls_wR_factor_ref         0.0642
_reflns_number_gt                4806
_reflns_number_total             5956
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz2223.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2219150
_cod_database_fobs_code          2219150