Reversible Oxidation State Change in Germanium(tetraphenylporphyrin) Induced by a Dative Ligand: Aromatic GeII(TPP) and Antiaromatic GeIV(TPP)(pyridine)2
Julie A. Cissell; Thomas P. Vaid; Glenn P. A. Yap; Journal of the American Chemical Society 129 (2007) 7841–7847; doi:10.1021/ja070794i

data_4109552
_publ_section_title
;
 Reversible Oxidation State Change in Germanium(tetraphenylporphyrin)
 Induced by a Dative Ligand: Aromatic GeII(TPP) and Antiaromatic
 GeIV(TPP)(pyridine)2
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7841
_journal_page_last               7847
_journal_paper_doi               10.1021/ja070794i
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C44 H28 Ge N4'
_chemical_formula_weight         685.29
_chemical_name_systematic
; 
 ? 
;
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_symmetry_space_group_name_Hall  '-I 4'
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_cell_angle_gamma                90.00
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_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.16
_cell_measurement_theta_min      2.17
_cell_volume                     1709.6(9)
_computing_cell_refinement       'SHELXTL, Sheldrick (2001)'
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_computing_data_reduction        'SHELXTL, Sheldrick (2001)'
_computing_molecular_graphics    'SHELXTL, Sheldrick (2001)'
_computing_publication_material  'SHELXTL, Sheldrick (2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 836.6
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker AXS APEX diffractometer'
_diffrn_measurement_method       \w
_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  0.0414
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_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         2.17
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    0.934
_exptl_absorpt_correction_T_max  0.8804
_exptl_absorpt_correction_T_min  0.8209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick (2003)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.331
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         1068
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_refine_ls_R_factor_all          0.0611
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_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^)+(0.0577P)^2^+8.9516P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1575
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja070794isi20070203_052825.cif
_cod_data_source_block           tomv002
_cod_original_cell_volume        1709.6(10)
_cod_database_code               4109552