Tethered Heavy Dicarbene Analogues: Synthesis and Structure of Ditetryldiyl Ethers (Ar′E)2(μ-O) (E = Ge, Sn; Ar′ = C6H3-2,6-(C6H3-2,6-iPr2)2)
Summerscales, Owen T.; Olmstead, Marilyn M.; Power, Philip P.; Organometallics 30 (2011) 3468–; doi:10.1021/om2004018

data_4064902
_publ_section_title
;
 Tethered Heavy Dicarbene Analogues: Synthesis and Structure of
 Ditetryldiyl Ethers (Ar&#x2032;E)2(\m-O) (E = Ge, Sn; Ar&#x2032; =
 C6H3-2,6-(C6H3-2,6-iPr2)2)
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3468
_journal_paper_doi               10.1021/om2004018
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C30 H37 Ge O0.62'
_chemical_formula_sum            'C30 H37 Ge O0.62'
_chemical_formula_weight         480.19
_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                63.729(2)
_cell_angle_beta                 81.404(2)
_cell_angle_gamma                69.289(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1539(3)
_cell_length_b                   12.7546(5)
_cell_length_c                   13.0263(5)
_cell_measurement_reflns_used    9915
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      2.51
_cell_volume                     1275.61(9)
_computing_cell_refinement       'SAINT (7.68A) (Bruker, 2009)'
_computing_data_collection       'Apex2 (2010-11.3) (Bruker, 2010)'
_computing_data_reduction        'SAINT (7.68A) (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II Duo CCD'
_diffrn_measurement_method       '\f and \w 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  0.0105
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_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16887
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    1.218
_exptl_absorpt_correction_T_max  0.7039
_exptl_absorpt_correction_T_min  0.5375
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2008/2 (Sheldrick, 2008)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             508
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.346
_refine_diff_density_min         -0.303
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5832
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.647
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0249
_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^)+(0.0366P)^2^+1.9133P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0619
_refine_ls_wR_factor_ref         0.0630
_reflns_number_gt                5502
_reflns_number_total             5832
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2004018_si_003.cif
_cod_data_source_block           ots20
_cod_depositor_comments
;
The following automatic conversions were performed:

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

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_cell_volume        1275.61(8)
_cod_database_code               4064902