Synthesis and structural characterization of monomeric heterobimetallic oxides with a GeII-O-M skeleton (M = Yb, Y).
Yang, Ying; Roesky, Herbert W.; Jones, Peter G.; So, Cheuk-Wai; Zhang, Zhensheng; Herbst-Irmer, Regine; Ye, Hongqi; Inorganic chemistry 46 (2007) 10860–10863; doi:10.1021/ic701262x

data_4339299
_publ_section_title
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 Synthesis and structural characterization of monomeric heterobimetallic
 oxides with a GeII-O-M skeleton (M = Yb, Y).
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_journal_issue                   25
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10860
_journal_page_last               10863
_journal_paper_doi               10.1021/ic701262x
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C43 H59 Ge N2 O2 Yb'
_chemical_formula_weight         881.55
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                90.055(3)
_cell_angle_beta                 98.337(3)
_cell_angle_gamma                89.994(3)
_cell_formula_units_Z            4
_cell_length_a                   8.8701(6)
_cell_length_b                   37.489(3)
_cell_length_c                   11.9890(8)
_cell_measurement_reflns_used    8464
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      29.25
_cell_measurement_theta_min      2.37
_cell_volume                     3944.6(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            69676
_diffrn_reflns_theta_full        28.50
_diffrn_reflns_theta_max         28.70
_diffrn_reflns_theta_min         0.54
_exptl_absorpt_coefficient_mu    3.155
_exptl_absorpt_correction_T_max  0.5710
_exptl_absorpt_correction_T_min  0.4467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1796
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.469
_refine_diff_density_min         -2.250
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    'rigid methyls, others riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     904
_refine_ls_number_reflns         19957
_refine_ls_number_restraints     1429
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0172P)^2^+6.8668P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0682
_refine_ls_wR_factor_ref         0.0709
_reflns_number_gt                17057
_reflns_number_total             19957
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701262x-file003.cif
_cod_data_source_block           Ge(O)Yb
_cod_depositor_comments
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The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
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_cod_original_cell_volume        3944.5(5)
_cod_database_code               4339299