#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:02:01 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180056 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/02/7050207.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7050207
loop_
_publ_author_name
'Baker, Robert J.'
'Jones, Cameron'
'Kloth, Marc'
'Mills, David P.'
_publ_section_title
;
 The reactivity of gallium(i) and indium(i) halides towards
 bipyridines, terpyridines, imino-substituted pyridines and
 bis(imino)acenaphthenes
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              207
_journal_paper_doi               10.1039/b310592j
_journal_volume                  28
_journal_year                    2004
_chemical_formula_sum            'C50 H49 Ga2 I4 N13 O2'
_chemical_formula_weight         1511.06
_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                105.18(3)
_cell_angle_beta                 94.44(3)
_cell_angle_gamma                99.69(3)
_cell_formula_units_Z            2
_cell_length_a                   11.000(2)
_cell_length_b                   12.525(3)
_cell_length_c                   21.899(4)
_cell_measurement_temperature    150(2)
_cell_volume                     2846.8(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.1738
_diffrn_reflns_av_sigmaI/netI    0.1169
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            49843
_diffrn_reflns_theta_full        27.13
_diffrn_reflns_theta_max         27.13
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    3.165
_exptl_absorpt_correction_T_max  0.652
_exptl_absorpt_correction_T_min  0.203
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.726
_refine_diff_density_min         -1.826
_refine_diff_density_rms         0.208
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    'Calculated (riding model)'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     645
_refine_ls_number_reflns         12403
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0553
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0615P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1264
_refine_ls_wR_factor_ref         0.1446
_reflns_number_gt                8551
_reflns_number_total             12403
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b310592j.txt
_cod_data_source_block           compound_3
_cod_original_cell_volume        2846.8(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7050207
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 0.52281(4) 0.46344(4) 0.12031(2) 0.03123(12) Uani 1 1 d . . .
I2 I 0.92324(4) 0.59901(3) 0.36746(2) 0.03147(12) Uani 1 1 d . . .
I3 I 0.19636(5) 0.12872(4) 0.38978(2) 0.04664(15) Uani 1 1 d . . .
I4 I 0.74484(4) 0.01942(3) 0.11794(2) 0.03195(12) Uani 1 1 d . . .
Ga1 Ga 0.22140(5) 0.64670(5) 0.22958(3) 0.01869(15) Uani 1 1 d . . .
Ga2 Ga 0.33979(5) 0.51934(5) 0.31208(3) 0.01812(15) Uani 1 1 d . . .
O1 O 0.3421(3) 0.5509(3) 0.23074(17) 0.0199(8) Uani 1 1 d . . .
O2 O 0.2174(3) 0.6174(3) 0.31340(18) 0.0212(8) Uani 1 1 d . . .
N1 N 0.0824(4) 0.5142(4) 0.1782(2) 0.0209(10) Uani 1 1 d . . .
N2 N 0.0687(4) 0.7243(4) 0.2339(2) 0.0223(11) Uani 1 1 d . . .
N3 N 0.3463(4) 0.7960(4) 0.2680(2) 0.0225(11) Uani 1 1 d . . .
N4 N 0.2797(4) 0.6830(4) 0.1482(2) 0.0210(10) Uani 1 1 d . . .
N5 N 0.4539(4) 0.4006(4) 0.2879(2) 0.0199(10) Uani 1 1 d . . .
N6 N 0.2117(4) 0.3707(4) 0.2828(2) 0.0221(10) Uani 1 1 d . . .
N7 N 0.3448(4) 0.5256(4) 0.4082(2) 0.0208(10) Uani 1 1 d . . .
N8 N 0.4917(4) 0.6476(4) 0.3532(2) 0.0221(11) Uani 1 1 d . . .
N9 N -0.0658(7) 0.6145(6) 0.0432(3) 0.0591(19) Uani 1 1 d . . .
N10 N 0.2059(7) 0.9236(5) 0.1426(3) 0.0544(18) Uani 1 1 d . . .
N11 N 0.2163(6) 0.1765(5) 0.0801(3) 0.0536(17) Uani 1 1 d . . .
N12 N 0.6665(10) 1.1323(7) 0.5068(5) 0.089(3) Uani 1 1 d . . .
N13 N 0.7768(9) 1.1980(8) 0.3594(5) 0.100(3) Uani 1 1 d U . .
C1 C 0.0992(6) 0.4091(5) 0.1492(3) 0.0243(13) Uani 1 1 d . . .
H1 H 0.1794 0.3950 0.1479 0.029 Uiso 1 1 calc R . .
C2 C -0.0005(6) 0.3225(5) 0.1216(3) 0.0285(14) Uani 1 1 d . . .
H2 H 0.0125 0.2511 0.1010 0.034 Uiso 1 1 calc R . .
C3 C -0.1185(6) 0.3422(5) 0.1246(3) 0.0306(15) Uani 1 1 d . . .
H3 H -0.1864 0.2838 0.1072 0.037 Uiso 1 1 calc R . .
C4 C -0.1366(6) 0.4492(5) 0.1537(3) 0.0300(14) Uani 1 1 d . . .
H4 H -0.2163 0.4639 0.1569 0.036 Uiso 1 1 calc R . .
C5 C -0.0326(5) 0.5343(5) 0.1781(3) 0.0253(13) Uani 1 1 d . . .
C6 C -0.0399(5) 0.6555(5) 0.2062(3) 0.0219(12) Uani 1 1 d . . .
C7 C -0.1499(6) 0.6960(5) 0.2006(3) 0.0293(14) Uani 1 1 d . . .
H7 H -0.2239 0.6472 0.1807 0.035 Uiso 1 1 calc R . .
C8 C -0.1465(6) 0.8087(6) 0.2250(3) 0.0352(16) Uani 1 1 d . . .
H8 H -0.2183 0.8377 0.2207 0.042 Uiso 1 1 calc R . .
C9 C -0.0363(6) 0.8802(5) 0.2562(3) 0.0310(15) Uani 1 1 d . . .
H9 H -0.0336 0.9567 0.2742 0.037 Uiso 1 1 calc R . .
C10 C 0.0717(6) 0.8343(5) 0.2600(3) 0.0271(14) Uani 1 1 d . . .
H10 H 0.1461 0.8811 0.2810 0.033 Uiso 1 1 calc R . .
C11 C 0.3663(6) 0.8549(5) 0.3295(3) 0.0277(14) Uani 1 1 d . . .
H11 H 0.3172 0.8296 0.3575 0.033 Uiso 1 1 calc R . .
C12 C 0.4571(6) 0.9524(5) 0.3536(3) 0.0324(15) Uani 1 1 d . . .
H12 H 0.4679 0.9925 0.3965 0.039 Uiso 1 1 calc R . .
C13 C 0.5303(6) 0.9872(6) 0.3114(4) 0.0400(17) Uani 1 1 d . . .
H13 H 0.5932 1.0510 0.3258 0.048 Uiso 1 1 calc R . .
C14 C 0.5097(6) 0.9269(5) 0.2476(3) 0.0320(15) Uani 1 1 d . . .
H14 H 0.5587 0.9497 0.2188 0.038 Uiso 1 1 calc R . .
C15 C 0.4160(5) 0.8329(5) 0.2272(3) 0.0245(13) Uani 1 1 d . . .
C16 C 0.3815(5) 0.7645(5) 0.1585(3) 0.0234(13) Uani 1 1 d . . .
C17 C 0.4455(6) 0.7857(5) 0.1098(3) 0.0315(15) Uani 1 1 d . . .
H17 H 0.5178 0.8406 0.1187 0.038 Uiso 1 1 calc R . .
C18 C 0.4014(6) 0.7250(6) 0.0484(3) 0.0373(16) Uani 1 1 d . . .
H18 H 0.4433 0.7380 0.0149 0.045 Uiso 1 1 calc R . .
C19 C 0.2933(6) 0.6438(6) 0.0365(3) 0.0360(16) Uani 1 1 d . . .
H19 H 0.2604 0.6026 -0.0050 0.043 Uiso 1 1 calc R . .
C20 C 0.2358(5) 0.6253(5) 0.0873(3) 0.0262(13) Uani 1 1 d . . .
H20 H 0.1635 0.5706 0.0792 0.031 Uiso 1 1 calc R . .
C21 C 0.5787(5) 0.4226(5) 0.2918(3) 0.0237(13) Uani 1 1 d . . .
H21 H 0.6215 0.4959 0.3115 0.028 Uiso 1 1 calc R . .
C22 C 0.6455(6) 0.3408(5) 0.2680(3) 0.0312(15) Uani 1 1 d . . .
H22 H 0.7318 0.3583 0.2712 0.037 Uiso 1 1 calc R . .
C23 C 0.5819(7) 0.2333(5) 0.2394(3) 0.0387(17) Uani 1 1 d . . .
H23 H 0.6252 0.1769 0.2228 0.046 Uiso 1 1 calc R . .
C24 C 0.4539(6) 0.2079(5) 0.2351(3) 0.0310(15) Uani 1 1 d . . .
H24 H 0.4101 0.1348 0.2162 0.037 Uiso 1 1 calc R . .
C25 C 0.3924(6) 0.2947(5) 0.2597(3) 0.0247(13) Uani 1 1 d . . .
C26 C 0.2557(5) 0.2774(4) 0.2562(3) 0.0213(12) Uani 1 1 d . . .
C27 C 0.1743(6) 0.1735(5) 0.2288(3) 0.0285(14) Uani 1 1 d . . .
H27 H 0.2059 0.1098 0.2105 0.034 Uiso 1 1 calc R . .
C28 C 0.0496(6) 0.1655(5) 0.2288(3) 0.0307(15) Uani 1 1 d . . .
H28 H -0.0049 0.0977 0.2091 0.037 Uiso 1 1 calc R . .
C29 C 0.0051(6) 0.2612(5) 0.2590(3) 0.0310(15) Uani 1 1 d . . .
H29 H -0.0795 0.2573 0.2616 0.037 Uiso 1 1 calc R . .
C30 C 0.0874(5) 0.3607(5) 0.2847(3) 0.0266(13) Uani 1 1 d . . .
H30 H 0.0570 0.4243 0.3044 0.032 Uiso 1 1 calc R . .
C31 C 0.2714(5) 0.4532(5) 0.4323(3) 0.0282(14) Uani 1 1 d . . .
H31 H 0.2185 0.3906 0.4046 0.034 Uiso 1 1 calc R . .
C32 C 0.2733(6) 0.4703(6) 0.4977(3) 0.0351(16) Uani 1 1 d . . .
H32 H 0.2236 0.4186 0.5135 0.042 Uiso 1 1 calc R . .
C33 C 0.3490(7) 0.5641(6) 0.5388(3) 0.0394(17) Uani 1 1 d . . .
H33 H 0.3471 0.5792 0.5826 0.047 Uiso 1 1 calc R . .
C34 C 0.4279(7) 0.6356(6) 0.5143(3) 0.0357(16) Uani 1 1 d . . .
H34 H 0.4831 0.6972 0.5414 0.043 Uiso 1 1 calc R . .
C35 C 0.4238(6) 0.6145(5) 0.4491(3) 0.0275(14) Uani 1 1 d . . .
C36 C 0.5092(5) 0.6806(5) 0.4173(3) 0.0228(13) Uani 1 1 d . . .
C37 C 0.6059(6) 0.7661(5) 0.4512(3) 0.0359(16) Uani 1 1 d . . .
H37 H 0.6148 0.7897 0.4955 0.043 Uiso 1 1 calc R . .
C38 C 0.6888(6) 0.8157(6) 0.4180(4) 0.0410(17) Uani 1 1 d . . .
H38 H 0.7555 0.8724 0.4400 0.049 Uiso 1 1 calc R . .
C39 C 0.6732(6) 0.7813(5) 0.3520(3) 0.0343(16) Uani 1 1 d . . .
H39 H 0.7291 0.8138 0.3291 0.041 Uiso 1 1 calc R . .
C40 C 0.5717(5) 0.6970(5) 0.3208(3) 0.0265(13) Uani 1 1 d . . .
H40 H 0.5589 0.6743 0.2764 0.032 Uiso 1 1 calc R . .
C41 C -0.1605(7) 0.6422(6) 0.0399(3) 0.0406(17) Uani 1 1 d . . .
C42 C -0.2796(6) 0.6776(6) 0.0370(4) 0.0439(18) Uani 1 1 d . . .
H42A H -0.3347 0.6385 0.0595 0.066 Uiso 1 1 calc R . .
H42B H -0.3151 0.6604 -0.0067 0.066 Uiso 1 1 calc R . .
H42C H -0.2676 0.7574 0.0565 0.066 Uiso 1 1 calc R . .
C43 C 0.1410(7) 0.9080(5) 0.0973(4) 0.0408(17) Uani 1 1 d . . .
C44 C 0.0575(8) 0.8911(7) 0.0395(4) 0.056(2) Uani 1 1 d . . .
H44A H -0.0198 0.9120 0.0505 0.084 Uiso 1 1 calc R . .
H44B H 0.0423 0.8132 0.0154 0.084 Uiso 1 1 calc R . .
H44C H 0.0946 0.9371 0.0144 0.084 Uiso 1 1 calc R . .
C45 C 0.3072(7) 0.1460(6) 0.0735(3) 0.0344(15) Uani 1 1 d . . .
C46 C 0.4235(7) 0.1084(7) 0.0636(4) 0.054(2) Uani 1 1 d . . .
H46A H 0.4332 0.0924 0.0191 0.080 Uiso 1 1 calc R . .
H46B H 0.4230 0.0414 0.0771 0.080 Uiso 1 1 calc R . .
H46C H 0.4912 0.1665 0.0879 0.080 Uiso 1 1 calc R . .
C47 C 0.7674(11) 1.1197(7) 0.5119(4) 0.062(3) Uani 1 1 d . . .
C48 C 0.8942(9) 1.1039(7) 0.5184(5) 0.071(3) Uani 1 1 d . . .
H48A H 0.9468 1.1730 0.5436 0.107 Uiso 1 1 calc R . .
H48B H 0.9207 1.0824 0.4770 0.107 Uiso 1 1 calc R . .
H48C H 0.8993 1.0457 0.5391 0.107 Uiso 1 1 calc R . .
C49 C 0.8523(8) 1.2592(8) 0.3977(4) 0.059(2) Uani 1 1 d . . .
C50 C 0.9474(7) 1.3307(7) 0.4420(4) 0.052(2) Uani 1 1 d . . .
H50A H 1.0189 1.2961 0.4419 0.078 Uiso 1 1 calc R . .
H50B H 0.9208 1.3451 0.4836 0.078 Uiso 1 1 calc R . .
H50C H 0.9684 1.4005 0.4313 0.078 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ga1 O2 76.45(15) . . ?
O1 Ga1 N3 95.42(17) . . ?
O2 Ga1 N3 91.60(18) . . ?
O1 Ga1 N1 93.28(16) . . ?
O2 Ga1 N1 98.40(17) . . ?
N3 Ga1 N1 168.04(18) . . ?
O1 Ga1 N2 168.38(18) . . ?
O2 Ga1 N2 96.00(17) . . ?
N3 Ga1 N2 93.59(18) . . ?
N1 Ga1 N2 78.93(18) . . ?
O1 Ga1 N4 91.32(16) . . ?
O2 Ga1 N4 163.62(17) . . ?
N3 Ga1 N4 78.57(19) . . ?
N1 Ga1 N4 93.07(19) . . ?
N2 Ga1 N4 97.65(18) . . ?
O1 Ga2 O2 76.75(15) . . ?
O1 Ga2 N6 97.63(18) . . ?
O2 Ga2 N6 95.42(17) . . ?
O1 Ga2 N8 92.29(18) . . ?
O2 Ga2 N8 96.27(16) . . ?
N6 Ga2 N8 166.13(18) . . ?
O1 Ga2 N7 166.75(17) . . ?
O2 Ga2 N7 95.17(16) . . ?
N6 Ga2 N7 93.53(19) . . ?
N8 Ga2 N7 78.02(19) . . ?
O1 Ga2 N5 92.19(16) . . ?
O2 Ga2 N5 166.53(17) . . ?
N6 Ga2 N5 78.24(18) . . ?
N8 Ga2 N5 91.78(17) . . ?
N7 Ga2 N5 97.07(17) . . ?
Ga2 O1 Ga1 104.73(17) . . ?
Ga1 O2 Ga2 102.07(17) . . ?
C5 N1 C1 119.0(5) . . ?
C5 N1 Ga1 115.7(4) . . ?
C1 N1 Ga1 125.1(4) . . ?
C10 N2 C6 119.6(5) . . ?
C10 N2 Ga1 125.6(4) . . ?
C6 N2 Ga1 114.8(4) . . ?
C11 N3 C15 118.7(5) . . ?
C11 N3 Ga1 125.6(4) . . ?
C15 N3 Ga1 115.7(4) . . ?
C16 N4 C20 117.5(5) . . ?
C16 N4 Ga1 115.0(4) . . ?
C20 N4 Ga1 126.9(4) . . ?
C21 N5 C25 118.6(5) . . ?
C21 N5 Ga2 126.4(4) . . ?
C25 N5 Ga2 114.6(4) . . ?
C26 N6 C30 118.3(5) . . ?
C26 N6 Ga2 116.2(4) . . ?
C30 N6 Ga2 125.4(4) . . ?
C31 N7 C35 118.7(5) . . ?
C31 N7 Ga2 125.5(4) . . ?
C35 N7 Ga2 115.7(4) . . ?
C36 N8 C40 119.5(5) . . ?
C36 N8 Ga2 115.5(4) . . ?
C40 N8 Ga2 125.0(4) . . ?
N1 C1 C2 121.2(5) . . ?
C3 C2 C1 119.5(6) . . ?
C2 C3 C4 119.7(6) . . ?
C3 C4 C5 118.2(6) . . ?
N1 C5 C4 122.2(5) . . ?
N1 C5 C6 114.6(5) . . ?
C4 C5 C6 123.3(5) . . ?
N2 C6 C7 121.9(5) . . ?
N2 C6 C5 115.3(5) . . ?
C7 C6 C5 122.7(5) . . ?
C8 C7 C6 118.7(6) . . ?
C7 C8 C9 120.0(6) . . ?
C8 C9 C10 118.5(6) . . ?
N2 C10 C9 121.0(6) . . ?
N3 C11 C12 123.2(6) . . ?
C13 C12 C11 117.4(6) . . ?
C12 C13 C14 119.7(6) . . ?
C15 C14 C13 119.3(6) . . ?
N3 C15 C14 121.7(6) . . ?
N3 C15 C16 114.6(5) . . ?
C14 C15 C16 123.7(6) . . ?
N4 C16 C17 122.6(6) . . ?
N4 C16 C15 114.0(5) . . ?
C17 C16 C15 123.4(5) . . ?
C18 C17 C16 119.2(6) . . ?
C17 C18 C19 119.1(6) . . ?
C20 C19 C18 118.7(6) . . ?
N4 C20 C19 122.8(6) . . ?
N5 C21 C22 122.6(6) . . ?
C23 C22 C21 118.3(6) . . ?
C22 C23 C24 120.5(6) . . ?
C23 C24 C25 118.1(6) . . ?
N5 C25 C24 121.9(6) . . ?
N5 C25 C26 115.5(5) . . ?
C24 C25 C26 122.6(5) . . ?
N6 C26 C27 120.8(5) . . ?
N6 C26 C25 114.7(5) . . ?
C27 C26 C25 124.6(5) . . ?
C28 C27 C26 120.3(5) . . ?
C27 C28 C29 118.7(5) . . ?
C30 C29 C28 119.0(6) . . ?
N6 C30 C29 122.9(6) . . ?
N7 C31 C32 121.4(6) . . ?
C33 C32 C31 119.5(6) . . ?
C32 C33 C34 119.2(6) . . ?
C35 C34 C33 119.2(7) . . ?
N7 C35 C34 122.0(6) . . ?
N7 C35 C36 113.8(5) . . ?
C34 C35 C36 124.1(6) . . ?
N8 C36 C37 121.8(6) . . ?
N8 C36 C35 115.8(5) . . ?
C37 C36 C35 122.2(6) . . ?
C38 C37 C36 118.8(6) . . ?
C37 C38 C39 120.1(6) . . ?
C38 C39 C40 118.3(6) . . ?
N8 C40 C39 121.6(6) . . ?
N9 C41 C42 178.9(8) . . ?
N10 C43 C44 178.4(7) . . ?
N11 C45 C46 178.3(8) . . ?
N12 C47 C48 179.9(10) . . ?
N13 C49 C50 177.2(12) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 O1 1.937(3) . ?
Ga1 O2 1.966(4) . ?
Ga1 N3 2.056(5) . ?
Ga1 N1 2.064(5) . ?
Ga1 N2 2.074(4) . ?
Ga1 N4 2.072(5) . ?
Ga2 O1 1.924(4) . ?
Ga2 O2 1.966(3) . ?
Ga2 N6 2.052(5) . ?
Ga2 N8 2.071(5) . ?
Ga2 N7 2.083(5) . ?
Ga2 N5 2.094(4) . ?
N1 C5 1.331(7) . ?
N1 C1 1.354(7) . ?
N2 C10 1.340(7) . ?
N2 C6 1.343(7) . ?
N3 C11 1.335(8) . ?
N3 C15 1.343(8) . ?
N4 C16 1.342(7) . ?
N4 C20 1.348(8) . ?
N5 C21 1.345(7) . ?
N5 C25 1.343(7) . ?
N6 C26 1.348(7) . ?
N6 C30 1.357(7) . ?
N7 C31 1.349(7) . ?
N7 C35 1.352(7) . ?
N8 C36 1.345(8) . ?
N8 C40 1.344(8) . ?
N9 C41 1.154(9) . ?
N10 C43 1.129(9) . ?
N11 C45 1.135(8) . ?
N12 C47 1.148(12) . ?
N13 C49 1.150(11) . ?
C1 C2 1.377(8) . ?
C2 C3 1.365(9) . ?
C3 C4 1.380(8) . ?
C4 C5 1.388(8) . ?
C5 C6 1.500(8) . ?
C6 C7 1.398(8) . ?
C7 C8 1.365(9) . ?
C8 C9 1.388(9) . ?
C9 C10 1.409(8) . ?
C11 C12 1.391(8) . ?
C12 C13 1.378(10) . ?
C13 C14 1.384(10) . ?
C14 C15 1.376(8) . ?
C15 C16 1.506(8) . ?
C16 C17 1.382(8) . ?
C17 C18 1.364(10) . ?
C18 C19 1.387(10) . ?
C19 C20 1.372(9) . ?
C21 C22 1.376(8) . ?
C22 C23 1.367(9) . ?
C23 C24 1.380(9) . ?
C24 C25 1.388(8) . ?
C25 C26 1.476(8) . ?
C26 C27 1.405(8) . ?
C27 C28 1.358(9) . ?
C28 C29 1.395(9) . ?
C29 C30 1.365(8) . ?
C31 C32 1.389(9) . ?
C32 C33 1.372(10) . ?
C33 C34 1.381(10) . ?
C34 C35 1.376(9) . ?
C35 C36 1.482(9) . ?
C36 C37 1.381(8) . ?
C37 C38 1.375(10) . ?
C38 C39 1.385(10) . ?
C39 C40 1.392(8) . ?
C41 C42 1.455(10) . ?
C43 C44 1.451(10) . ?
C45 C46 1.448(10) . ?
C47 C48 1.443(13) . ?
C49 C50 1.382(11) . ?
