Isolation of a germanium(ii) cation and a germylene iron carbonyl complex utilizing an imidazolin-2-iminato ligand.
Ochiai, Tatsumi; Franz, Daniel; Wu, Xiao-Nan; Inoue, Shigeyoshi; Dalton transactions (Cambridge, England : 2003) 44 (2015) 10952–10956; doi:10.1039/c5dt01554e

data_7035151
_publ_section_title
;
 Isolation of a germanium(ii) cation and a germylene iron carbonyl complex
 utilizing an imidazolin-2-iminato ligand.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10952
_journal_page_last               10956
_journal_paper_doi               10.1039/c5dt01554e
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C51 H54 B F15 Ge N4 Si2'
_chemical_formula_weight         1147.56
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_audit_creation_method
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
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_audit_update_record
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2015-03-16 deposited with the CCDC.
2015-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                76.511(2)
_cell_angle_beta                 72.772(3)
_cell_angle_gamma                88.005(2)
_cell_formula_units_Z            2
_cell_length_a                   11.9070(4)
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_cell_length_c                   16.6752(5)
_cell_measurement_reflns_used    11235
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      73.3840
_cell_measurement_theta_min      2.8490
_cell_volume                     2667.97(15)
_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0228
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17356
_diffrn_reflns_theta_full        67.49
_diffrn_reflns_theta_max         67.49
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    2.021
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.416
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.062
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_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     681
_refine_ls_number_reflns         9601
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0326
_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^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1284
_reflns_number_gt                8844
_reflns_number_total             9601
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt01554e2.cif
_cod_data_source_block           g:\xraypa~2\cu-905~1\cu-905
_cod_depositor_comments
'Adding full bibliography for 7035150--7035151.cif.'
_cod_original_cell_volume        2667.97(14)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035151