data_2008301
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  359
_journal_page_last  361
_publ_section_title
;
Diiodo[phthalocyaninato(2-)]germanium(IV) diiodine
;
loop_
_publ_author_name
  'Jan Janczak'
  'Mariola Razik'
  'Ryszard Kubiak'
_chemical_formula_sum  'C32 H16 Ge I4 N8'
_chemical_formula_iupac  '[GeI2 (C32 H16 N8)], I2'
_chemical_formula_weight  1092.72
_symmetry_cell_setting  'triclinic'
_symmetry_space_group_name_H-M  'P-1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  7.716(2)
_cell_length_b  8.597(2)
_cell_length_c  12.540(3)
_cell_angle_alpha  80.19(3)
_cell_angle_beta  74.83(3)
_cell_angle_gamma  81.74(3)
_cell_volume  786.8(3)
_cell_formula_units_Z  1
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.306
_exptl_crystal_density_meas  2.28
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Ge1 0 0 0 0.04106(19) Uani d S 1 . . Ge
  I1 -0.32399(5) -0.11292(4) 0.11656(3) 0.04529(11) Uani d . 1 . . I
  I2 -0.43803(6) -0.04494(5) 0.39450(4) 0.07267(15) Uani d . 1 . . I
  N1 -0.0077(5) 0.1154(4) 0.1223(3) 0.0357(9) Uani d . 1 . . N
  N2 0.1379(5) -0.0879(5) 0.2390(3) 0.0378(9) Uani d . 1 . . N
  N3 0.1283(5) -0.1852(5) 0.0702(3) 0.0382(9) Uani d . 1 . . N
  N4 0.1660(6) -0.3661(5) -0.0648(3) 0.0398(9) Uani d . 1 . . N
  C1 -0.0905(7) 0.2673(5) 0.1343(4) 0.0396(11) Uani d . 1 . . C
  C2 -0.0819(7) 0.3012(6) 0.2426(3) 0.0370(11) Uani d . 1 . . C
  C3 -0.1505(7) 0.4383(6) 0.2956(4) 0.0465(12) Uani d . 1 . . C
  H3 -0.2072 0.5283 0.2611 0.056 Uiso calc R 1 . . H
  C4 -0.1271(8) 0.4284(7) 0.4016(4) 0.0596(16) Uani d . 1 . . C
  H4 -0.1752 0.5122 0.4422 0.072 Uiso calc R 1 . . H
  C5 -0.0303(9) 0.2924(7) 0.4511(4) 0.0594(16) Uani d . 1 . . C
  H5 -0.0124 0.2922 0.5217 0.071 Uiso calc R 1 . . H
  C6 0.0349(7) 0.1654(7) 0.3983(4) 0.0474(13) Uani d . 1 . . C
  H6 0.0959 0.0766 0.4312 0.057 Uiso calc R 1 . . H
  C7 0.0073(7) 0.1719(6) 0.2911(4) 0.0402(11) Uani d . 1 . . C
  C8 0.0565(6) 0.0534(5) 0.2166(3) 0.0352(10) Uani d . 1 . . C
  C9 0.1750(7) -0.1971(6) 0.1711(3) 0.0380(11) Uani d . 1 . . C
  C10 0.2593(7) -0.3515(6) 0.1950(4) 0.0396(11) Uani d . 1 . . C
  C11 0.3362(7) -0.4242(6) 0.2854(4) 0.0480(13) Uani d . 1 . . C
  H11 0.3394 -0.3695 0.3426 0.058 Uiso calc R 1 . . H
  C12 0.4053(8) -0.5805(6) 0.2824(5) 0.0550(15) Uani d . 1 . . C
  H12 0.4537 -0.6331 0.3410 0.066 Uiso calc R 1 . . H
  C13 0.4066(7) -0.6631(6) 0.1976(4) 0.0495(13) Uani d . 1 . . C
  H13 0.4525 -0.7695 0.2017 0.059 Uiso calc R 1 . . H
  C14 0.3420(6) -0.5929(6) 0.1071(4) 0.0430(12) Uani d . 1 . . C
  H14 0.3493 -0.6472 0.0477 0.052 Uiso calc R 1 . . H
  C15 0.2641(6) -0.4350(5) 0.1085(4) 0.0352(10) Uani d . 1 . . C
  C16 0.1837(6) -0.3252(5) 0.0296(4) 0.0378(11) Uani d . 1 . . C
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Ge1 0.0654(5) 0.0329(4) 0.0266(3) 0.0057(3) -0.0168(3) -0.0094(3)
  I1 0.0534(2) 0.0464(2) 0.03537(16) -0.01142(16) -0.00342(13) -0.01016(13)
  I2 0.0727(3) 0.0602(3) 0.0890(3) -0.0052(2) -0.0317(3) -0.0037(2)
  N1 0.049(3) 0.034(2) 0.0233(16) 0.0025(17) -0.0071(16) -0.0103(15)
  N2 0.053(3) 0.037(2) 0.0256(17) -0.0056(18) -0.0095(17) -0.0073(15)
  N3 0.055(3) 0.036(2) 0.0245(17) 0.0023(18) -0.0135(17) -0.0065(15)
  N4 0.055(3) 0.033(2) 0.0321(18) -0.0062(18) -0.0088(18) -0.0077(16)
  C1 0.057(3) 0.032(3) 0.031(2) -0.015(2) -0.007(2) -0.0062(19)
  C2 0.047(3) 0.036(3) 0.029(2) -0.014(2) -0.001(2) -0.0126(19)
  C3 0.054(3) 0.040(3) 0.048(3) -0.004(2) -0.010(2) -0.017(2)
  C4 0.082(4) 0.058(4) 0.043(3) -0.009(3) -0.007(3) -0.032(3)
  C5 0.084(5) 0.059(4) 0.041(3) -0.022(3) -0.012(3) -0.016(3)
  C6 0.057(3) 0.057(3) 0.034(2) -0.020(3) -0.010(2) -0.014(2)
  C7 0.051(3) 0.038(3) 0.034(2) -0.011(2) -0.008(2) -0.0082(19)
  C8 0.044(3) 0.038(3) 0.0241(19) -0.013(2) -0.0038(19) -0.0059(18)
  C9 0.051(3) 0.039(3) 0.0231(19) -0.004(2) -0.0078(19) -0.0046(18)
  C10 0.048(3) 0.038(3) 0.030(2) -0.004(2) -0.006(2) -0.0010(19)
  C11 0.055(3) 0.052(3) 0.040(2) -0.001(3) -0.020(2) -0.004(2)
  C12 0.061(4) 0.040(3) 0.053(3) 0.002(3) -0.013(3) 0.014(2)
  C13 0.046(3) 0.043(3) 0.054(3) 0.004(2) -0.009(2) -0.003(2)
  C14 0.038(3) 0.033(3) 0.053(3) 0.005(2) -0.010(2) 0.001(2)
  C15 0.036(3) 0.029(2) 0.036(2) 0.0033(19) -0.0049(19) -0.0023(18)
  C16 0.044(3) 0.033(2) 0.037(2) 0.000(2) -0.006(2) -0.0140(19)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ge1 N1 . 1.948(3) y
  Ge1 N1 2 1.948(3) n
  Ge1 N3 . 1.953(4) y
  Ge1 N3 2 1.953(4) n
  Ge1 I1 . 2.7622(11) y
  Ge1 I1 2 2.7622(11) n
  I2 I2 2_456 2.7698(13) y
  I1 I2 . 3.494(2) y
  N1 C1 . 1.383(6) n
  N1 C8 . 1.394(5) n
  N2 C8 . 1.306(6) n
  N2 C9 . 1.324(5) n
  N3 C16 . 1.356(5) n
  N3 C9 . 1.388(5) n
  N4 C1 2 1.300(6) n
  N4 C16 . 1.336(5) n
  C1 N4 2 1.300(6) n
  C1 C2 . 1.457(6) n
  C2 C7 . 1.359(7) n
  C2 C3 . 1.420(6) n
  C3 C4 . 1.375(7) n
  C4 C5 . 1.433(8) n
  C5 C6 . 1.341(7) n
  C6 C7 . 1.406(6) n
  C7 C8 . 1.443(6) n
  C9 C10 . 1.412(6) n
  C10 C15 . 1.390(6) n
  C10 C11 . 1.425(7) n
  C11 C12 . 1.376(7) n
  C12 C13 . 1.373(8) n
  C13 C14 . 1.370(7) n
  C14 C15 . 1.404(6) n
  C15 C16 . 1.445(6) n