A dihomonuclear complex: di-μ-methacrylato-<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-<i>N</i>,<i>N</i>')bis(methacrylato-<i>O</i>,<i>O</i>')ytterbium(III)]
Lu, Weimin; Luo, Xiaoyang; Wu, Bin; Jianxin Mao; Jiang, Xiaoyuan; Acta Crystallographica Section C 55 (1999) 1472–1475; doi:10.1107/S0108270199006915

data_2008865
_publ_section_title
;A dihomonuclear complex:
 di-\m-methacrylato-<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-<i>N</i>,<i>N</i>')bis(methacrylato-<i>O</i>,<i>O</i>')ytterbium(III)]
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1472
_journal_page_last               1475
_journal_paper_doi               10.1107/S0108270199006915
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Yb (C4 H5 O2)3 (C12 H8 N2)]2'
_chemical_formula_moiety         'C48 H46 N4 O12 Yb2'
_chemical_formula_sum            'C48 H46 N4 O12 Yb2'
_chemical_formula_weight         1217.0
_chemical_name_systematic
;
di-\m-methacrylato-O:O'-bis[(1,10-phenanthroline-N,N')bis(methacrylato-O,O')
ytterbium(III)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 101.48(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   10.182(4)
_cell_length_b                   9.707(5)
_cell_length_c                   23.455(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      12.77
_cell_measurement_theta_min      6.85
_cell_volume                     2271.8(17)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1985)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Rigaku AFC-7R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.041
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            3918
_diffrn_reflns_theta_max         25.01
_diffrn_standards_decay_%        +-1.4
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.159
_exptl_absorpt_correction_T_max  0.435
_exptl_absorpt_correction_T_min  0.369
_exptl_absorpt_correction_type   'empirical via \y-scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_description       needle
_exptl_crystal_F_000             1196
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.04
_refine_diff_density_min         -1.41
_refine_ls_extinction_coef       4.22E-7
_refine_ls_extinction_method     'secondary  extinction (Zachariasen, 1963)'
_refine_ls_goodness_of_fit_ref   1.54
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           'full matrix'
_refine_ls_number_parameters     299
_refine_ls_number_reflns         2706
_refine_ls_R_factor_gt           0.034
_refine_ls_shift/su_max          0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~) + 4F~o~^2^/\s^2^(F~o~)^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.043
_reflns_number_gt                2706
_reflns_number_total             3664
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            bm1303.cif
_cod_data_source_block           global
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F~o~) +
4F~o~^2^/\s^2^(F~o~)^2^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/\s^2^(F~o~) + 4F~o~^2^/\s^2^(F~o~)^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2271.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2008865