Digermylene Oxide Stabilized Group 11 Metal Iodide Complexes.
Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Karwasara, Surendar; Singh, Dharmendra; Rajaraman, Gopalan; Nagendran, Selvarajan; Inorganic chemistry 54 (2015) 11067–11076; doi:10.1021/acs.inorgchem.5b01436

data_4346426
_publ_section_title
;
 Digermylene Oxide Stabilized Group 11 Metal Iodide Complexes.
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11067
_journal_page_last               11076
_journal_paper_doi               10.1021/acs.inorgchem.5b01436
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C60 H92 Cu3 Ge4 I3 N8 O2'
_chemical_formula_sum            'C60 H92 Cu3 Ge4 I3 N8 O2'
_chemical_formula_weight         1819.21
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                77.751(2)
_cell_angle_beta                 88.857(2)
_cell_angle_gamma                75.862(2)
_cell_formula_units_Z            2
_cell_length_a                   12.2237(15)
_cell_length_b                   18.375(2)
_cell_length_c                   18.579(2)
_cell_measurement_temperature    150(2)
_cell_volume                     3952.3(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  '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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0819
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20156
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.12
_exptl_absorpt_coefficient_mu    3.503
_exptl_absorpt_correction_T_max  .704
_exptl_absorpt_correction_T_min  .433
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1796
_exptl_crystal_size_max          .250
_exptl_crystal_size_mid          .220
_exptl_crystal_size_min          .100
_platon_squeeze_details
;
;
_refine_diff_density_max         1.024
_refine_diff_density_min         -0.804
_refine_diff_density_rms         0.184
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     737
_refine_ls_number_reflns         13684
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0517
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0738P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1323
_refine_ls_wR_factor_ref         0.1398
_reflns_number_gt                9687
_reflns_number_total             13684
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01436_si_002.cif
_cod_data_source_block           compound3
_cod_database_code               4346426