#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:18:08 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179321 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/18/4321855.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_4321855
loop_
_publ_author_name
'Wayne A. King'
'Brian L. Scott'
'Juergen Eckert'
'Gregory J. Kubas'
_publ_section_title
;
 Reversible Displacement of Polyagostic Interactions in 16e
 [Mn(CO)(R2PC2H4PR2)2]+ by H2, N2, and SO2. Binding and Activation of
 η2-H2 trans to CO Is Nearly Invariant to Changes in Charge and cis
 Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1069
_journal_page_last               1084
_journal_paper_doi               10.1021/ic981263l
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C178 H100 Cl2 F60 Ga4 Mn2 O2 P8'
_chemical_formula_weight         4118.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 97.69(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.224(4)
_cell_length_b                   32.732(27)
_cell_length_c                   24.310(9)
_cell_measurement_temperature    138
_cell_volume                     8062(8)
_computing_cell_refinement       'XSCANS 2.10 (Siemens, 1994)'
_computing_data_collection       'XSCANS 2.10 (Siemens, 1994)'
_computing_data_reduction        'XSCANS 2.10 (Siemens, 1994)'
_computing_molecular_graphics    'SHELXTL PC 4.2/360 (Siemens, 1990)'
_computing_publication_material  'SHELXTL PC 4.2/360 (Siemens, 1990)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      138
_diffrn_measurement_device       'Siemens P4/PC'
_diffrn_measurement_method       'ω 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  0.0675
_diffrn_reflns_av_sigmaI/netI    0.1026
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            8681
_diffrn_reflns_theta_max         25.51
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.050
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.696
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular plate'
_exptl_crystal_F_000             4104
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.524
_refine_diff_density_min         -1.521
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.039
_refine_ls_goodness_of_fit_obs   1.143
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     540
_refine_ls_number_reflns         7078
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_restrained_S_obs      1.143
_refine_ls_R_factor_all          0.1338
_refine_ls_R_factor_obs          0.0798
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1064P)²+46.6639P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2200
_refine_ls_wR_factor_obs         0.1884
_reflns_number_observed          4434
_reflns_number_total             7079
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic981263l_3.cif
_cod_data_source_block           xr49
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1064P)^2^+46.6639P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1064P)^2^+46.6639P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        8062.2(79)
_cod_database_code               4321855
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mn1 Mn 0.7500 0.2500 0.0000 0.0212(4) Uani 1 d S .
P1 P 0.6764(2) 0.31509(6) 0.01569(7) 0.0216(4) Uani 1 d . .
P2 P 0.9739(2) 0.26416(6) 0.02086(8) 0.0221(4) Uani 1 d . .
Ga Ga 0.08033(8) 0.03771(3) 0.18838(4) 0.0302(3) Uani 1 d . .
O1 O 0.7619(9) 0.2199(3) 0.1172(4) 0.024(2) Uani 0.50 d P .
Cl1 Cl 0.0000 0.0171(3) 0.2500 0.154(3) Uani 1 d S .
C1 C 0.7716(5) 0.35994(12) -0.0013(2) 0.025(2) Uani 1 d G .
C2 C 0.8336(5) 0.3850(2) 0.04042(15) 0.034(2) Uani 1 d G .
H2 H 0.8255(7) 0.3795(2) 0.0773(2) 0.041 Uiso 1 calc R .
C3 C 0.9075(5) 0.41829(14) 0.0270(2) 0.041(2) Uani 1 d G .
H3 H 0.9490(7) 0.4350(2) 0.0549(3) 0.050 Uiso 1 calc R .
C4 C 0.9195(5) 0.42652(13) -0.0282(2) 0.045(2) Uani 1 d G .
H4 H 0.9690(7) 0.4488(2) -0.0372(3) 0.054 Uiso 1 calc R .
C5 C 0.8575(5) 0.4015(2) -0.0700(2) 0.042(2) Uani 1 d G .
H5 H 0.8655(8) 0.4070(2) -0.1069(2) 0.051 Uiso 1 calc R .
C6 C 0.7836(5) 0.36818(14) -0.0565(2) 0.032(2) Uani 1 d G .
H6 H 0.7421(7) 0.3514(2) -0.0845(2) 0.039 Uiso 1 calc R .
C7 C 0.6152(5) 0.33103(15) 0.0812(2) 0.026(2) Uani 1 d G .
C8 C 0.5425(6) 0.36702(15) 0.0789(2) 0.041(2) Uani 1 d G .
H8 H 0.5320(8) 0.3826(2) 0.0466(2) 0.049 Uiso 1 calc R .
C9 C 0.4856(6) 0.3797(2) 0.1248(3) 0.056(3) Uani 1 d G .
H9 H 0.4369(8) 0.4038(2) 0.1233(4) 0.067 Uiso 1 calc R .
C10 C 0.5013(6) 0.3564(2) 0.1730(2) 0.063(3) Uani 1 d G .
H10 H 0.4632(9) 0.3649(3) 0.2038(3) 0.076 Uiso 1 calc R .
C11 C 0.5740(6) 0.3204(2) 0.1753(2) 0.058(3) Uani 1 d G .
H11 H 0.5845(9) 0.3048(3) 0.2076(2) 0.069 Uiso 1 calc R .
C12 C 0.6309(5) 0.30772(15) 0.1294(2) 0.042(2) Uani 1 d G .
H12 H 0.6796(8) 0.2836(2) 0.1309(3) 0.050 Uiso 1 calc R .
C13 C 1.0536(5) 0.29961(14) -0.0239(2) 0.029(2) Uani 1 d G .
C14 C 1.1148(5) 0.3353(2) -0.0031(2) 0.038(2) Uani 1 d G .
H14 H 1.1162(7) 0.3420(2) 0.0342(2) 0.045 Uiso 1 calc R .
C15 C 1.1739(5) 0.36113(13) -0.0379(2) 0.046(2) Uani 1 d G .
H15 H 1.2149(7) 0.3850(2) -0.0240(3) 0.055 Uiso 1 calc R .
C16 C 1.1718(5) 0.3512(2) -0.0936(2) 0.050(3) Uani 1 d G .
H16 H 1.2113(7) 0.3684(2) -0.1169(3) 0.060 Uiso 1 calc R .
C17 C 1.1105(5) 0.3154(2) -0.1145(2) 0.046(2) Uani 1 d G .
H17 H 1.1091(8) 0.3088(2) -0.1517(2) 0.055 Uiso 1 calc R .
C18 C 1.0514(5) 0.28966(14) -0.0796(2) 0.036(2) Uani 1 d G .
H18 H 1.0104(7) 0.2658(2) -0.0936(3) 0.043 Uiso 1 calc R .
C19 C 1.0428(4) 0.2817(2) 0.0906(2) 0.027(2) Uani 1 d G .
C20 C 1.1758(4) 0.2757(2) 0.1094(2) 0.045(2) Uani 1 d G .
H20 H 1.2291(6) 0.2621(3) 0.0873(3) 0.054 Uiso 1 calc R .
C21 C 1.2294(4) 0.2902(2) 0.1613(2) 0.060(3) Uani 1 d G .
H21 H 1.3184(4) 0.2862(3) 0.1739(3) 0.072 Uiso 1 calc R .
C22 C 1.1498(6) 0.3107(2) 0.1944(2) 0.065(3) Uani 1 d G .
H22 H 1.1856(8) 0.3204(3) 0.2292(2) 0.078 Uiso 1 calc R .
C23 C 1.0167(5) 0.3166(2) 0.1756(2) 0.065(3) Uani 1 d G .
H23 H 0.9635(7) 0.3303(3) 0.1978(3) 0.078 Uiso 1 calc R .
C24 C 0.9632(4) 0.3021(2) 0.1237(2) 0.042(2) Uani 1 d G .
H24 H 0.8742(4) 0.3061(3) 0.1111(3) 0.050 Uiso 1 calc R .
C25 C 0.7537(11) 0.2326(4) 0.0721(5) 0.013(3) Uani 0.50 d P .
C31 C -0.0460(7) 0.0254(2) 0.1202(3) 0.030(2) Uani 1 d . .
C32 C -0.1360(8) -0.0062(2) 0.1171(3) 0.031(2) Uani 1 d . .
C33 C -0.2096(8) -0.0186(3) 0.0684(4) 0.039(2) Uani 1 d . .
C34 C -0.1926(8) -0.0005(3) 0.0196(3) 0.036(2) Uani 1 d . .
C35 C -0.1054(8) 0.0312(3) 0.0198(3) 0.037(2) Uani 1 d . .
C36 C -0.0345(8) 0.0435(2) 0.0692(3) 0.034(2) Uani 1 d . .
C37 C 0.1325(8) 0.0946(2) 0.2094(3) 0.033(2) Uani 1 d . .
C38 C 0.0641(9) 0.1284(2) 0.1886(3) 0.036(2) Uani 1 d . .
C39 C 0.1025(10) 0.1687(3) 0.2024(4) 0.044(2) Uani 1 d . .
C40 C 0.2132(11) 0.1746(3) 0.2400(4) 0.055(3) Uani 1 d . .
C41 C 0.2847(11) 0.1414(3) 0.2618(4) 0.056(3) Uani 1 d . .
C42 C 0.2421(9) 0.1028(3) 0.2459(3) 0.043(2) Uani 1 d . .
C43 C 0.2368(8) 0.0014(3) 0.1852(3) 0.034(2) Uani 1 d . .
C44 C 0.2373(8) -0.0393(3) 0.1994(4) 0.040(2) Uani 1 d . .
C45 C 0.3401(9) -0.0652(3) 0.1956(4) 0.046(2) Uani 1 d . .
C46 C 0.4498(10) -0.0508(3) 0.1756(4) 0.056(3) Uani 1 d . .
C47 C 0.4578(9) -0.0100(3) 0.1609(4) 0.047(2) Uani 1 d . .
C48 C 0.3505(9) 0.0145(3) 0.1660(4) 0.043(2) Uani 1 d . .
C51 C 0.5197(7) 0.3192(2) -0.0304(3) 0.024(2) Uani 1 d . .
H51A H 0.4774(7) 0.3452(2) -0.0251(3) 0.028 Uiso 1 calc R .
H51B H 0.5340(7) 0.3169(2) -0.0689(3) 0.028 Uiso 1 calc R .
C52 C 1.0655(7) 0.2162(2) 0.0143(3) 0.027(2) Uani 1 d . .
H52A H 1.0839(7) 0.2128(2) -0.0235(3) 0.032 Uiso 1 calc R .
H52B H 1.1488(7) 0.2168(2) 0.0387(3) 0.032 Uiso 1 calc R .
F1 F -0.1536(5) -0.02685(15) 0.1639(2) 0.0457(12) Uani 1 d . .
F2 F -0.2948(5) -0.0506(2) 0.0685(2) 0.0547(14) Uani 1 d . .
F3 F -0.2641(5) -0.0124(2) -0.0284(2) 0.0584(15) Uani 1 d . .
F4 F -0.0868(5) 0.04890(15) -0.0288(2) 0.0494(13) Uani 1 d . .
F5 F 0.0550(5) 0.07370(14) 0.0666(2) 0.0452(12) Uani 1 d . .
F6 F -0.0494(5) 0.1243(2) 0.1524(2) 0.0508(13) Uani 1 d . .
F7 F 0.0281(7) 0.2006(2) 0.1811(2) 0.069(2) Uani 1 d . .
F8 F 0.2525(8) 0.2126(2) 0.2544(3) 0.083(2) Uani 1 d . .
F9 F 0.3950(7) 0.1477(2) 0.2972(3) 0.096(2) Uani 1 d . .
F10 F 0.3136(6) 0.0713(2) 0.2707(3) 0.070(2) Uani 1 d . .
F11 F 0.1298(5) -0.05575(15) 0.2190(2) 0.0553(14) Uani 1 d . .
F12 F 0.3336(6) -0.1047(2) 0.2095(3) 0.073(2) Uani 1 d . .
F13 F 0.5545(6) -0.0753(2) 0.1724(3) 0.074(2) Uani 1 d . .
F14 F 0.5644(6) 0.0043(2) 0.1422(3) 0.074(2) Uani 1 d . .
F15 F 0.3589(5) 0.0533(2) 0.1493(2) 0.0588(15) Uani 1 d . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C25 Mn1 C25 180.000(2) 7_655 . ?
C25 Mn1 P1 84.6(4) 7_655 . ?
C25 Mn1 P1 95.4(4) . . ?
C25 Mn1 P1 95.4(4) 7_655 7_655 ?
C25 Mn1 P1 84.6(4) . 7_655 ?
P1 Mn1 P1 180.0 . 7_655 ?
C25 Mn1 P2 92.3(4) 7_655 . ?
C25 Mn1 P2 87.7(4) . . ?
P1 Mn1 P2 96.50(7) . . ?
P1 Mn1 P2 83.50(7) 7_655 . ?
C25 Mn1 P2 87.7(4) 7_655 7_655 ?
C25 Mn1 P2 92.3(4) . 7_655 ?
P1 Mn1 P2 83.50(7) . 7_655 ?
P1 Mn1 P2 96.50(7) 7_655 7_655 ?
P2 Mn1 P2 180.0 . 7_655 ?
C51 P1 C1 104.5(3) . . ?
C51 P1 C7 97.8(3) . . ?
C1 P1 C7 102.5(2) . . ?
C51 P1 Mn1 104.1(2) . . ?
C1 P1 Mn1 120.4(2) . . ?
C7 P1 Mn1 123.7(2) . . ?
C19 P2 C52 102.0(3) . . ?
C19 P2 C13 101.6(2) . . ?
C52 P2 C13 102.4(3) . . ?
C19 P2 Mn1 120.5(2) . . ?
C52 P2 Mn1 108.0(2) . . ?
C13 P2 Mn1 119.6(2) . . ?
Cl1 Ga C37 104.9(3) . . ?
Cl1 Ga C31 106.2(2) . . ?
C37 Ga C31 121.6(3) . . ?
Cl1 Ga C43 104.4(3) . . ?
C37 Ga C43 112.2(3) . . ?
C31 Ga C43 106.2(3) . . ?
Ga Cl1 Ga 138.9(5) . 2 ?
C2 C1 C6 120.0 . . ?
C2 C1 P1 120.7(3) . . ?
C6 C1 P1 119.3(3) . . ?
C1 C2 C3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C3 C4 C5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C5 C6 C1 120.0 . . ?
C8 C7 C12 120.0 . . ?
C8 C7 P1 116.3(3) . . ?
C12 C7 P1 123.6(3) . . ?
C9 C8 C7 120.0 . . ?
C8 C9 C10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C11 C12 C7 120.0 . . ?
C14 C13 C18 120.0 . . ?
C14 C13 P2 121.7(3) . . ?
C18 C13 P2 118.3(3) . . ?
C15 C14 C13 120.0 . . ?
C14 C15 C16 120.0 . . ?
C15 C16 C17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C17 C18 C13 120.0 . . ?
C20 C19 C24 120.0 . . ?
C20 C19 P2 119.8(3) . . ?
C24 C19 P2 120.2(3) . . ?
C19 C20 C21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C22 C23 C24 120.0 . . ?
C23 C24 C19 120.0 . . ?
O1 C25 Mn1 176.0(11) . . ?
C32 C31 C36 113.9(7) . . ?
C32 C31 Ga 123.1(6) . . ?
C36 C31 Ga 122.0(6) . . ?
F1 C32 C33 117.2(7) . . ?
F1 C32 C31 119.4(7) . . ?
C33 C32 C31 123.3(8) . . ?
C34 C33 F2 119.7(8) . . ?
C34 C33 C32 120.3(8) . . ?
F2 C33 C32 119.9(8) . . ?
F3 C34 C33 120.7(8) . . ?
F3 C34 C35 120.0(8) . . ?
C33 C34 C35 119.2(7) . . ?
F4 C35 C34 119.3(7) . . ?
F4 C35 C36 121.2(8) . . ?
C34 C35 C36 119.4(8) . . ?
F5 C36 C35 117.0(7) . . ?
F5 C36 C31 119.2(7) . . ?
C35 C36 C31 123.7(8) . . ?
C42 C37 C38 114.7(8) . . ?
C42 C37 Ga 121.6(6) . . ?
C38 C37 Ga 123.8(6) . . ?
F6 C38 C37 120.5(7) . . ?
F6 C38 C39 115.7(8) . . ?
C37 C38 C39 123.8(8) . . ?
F7 C39 C40 121.3(8) . . ?
F7 C39 C38 120.5(9) . . ?
C40 C39 C38 118.1(8) . . ?
F8 C40 C39 119.8(10) . . ?
F8 C40 C41 120.5(10) . . ?
C39 C40 C41 119.7(8) . . ?
F9 C41 C42 122.0(10) . . ?
F9 C41 C40 119.0(9) . . ?
C42 C41 C40 119.0(9) . . ?
C37 C42 F10 119.1(8) . . ?
C37 C42 C41 124.6(9) . . ?
F10 C42 C41 116.2(8) . . ?
C48 C43 C44 114.3(8) . . ?
C48 C43 Ga 122.9(6) . . ?
C44 C43 Ga 122.7(6) . . ?
C45 C44 F11 116.3(8) . . ?
C45 C44 C43 124.1(8) . . ?
F11 C44 C43 119.5(7) . . ?
F12 C45 C44 121.2(9) . . ?
F12 C45 C46 119.6(8) . . ?
C44 C45 C46 119.2(9) . . ?
F13 C46 C45 120.8(10) . . ?
F13 C46 C47 118.9(9) . . ?
C45 C46 C47 120.2(8) . . ?
F14 C47 C48 122.1(9) . . ?
F14 C47 C46 120.5(8) . . ?
C48 C47 C46 117.4(8) . . ?
F15 C48 C47 116.1(8) . . ?
F15 C48 C43 119.2(8) . . ?
C47 C48 C43 124.7(9) . . ?
C52 C51 P1 105.6(5) 7_655 . ?
C51 C52 P2 108.0(5) 7_655 . ?
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
Mn1 C25 1.839(12) 7_655 ?
Mn1 C25 1.839(12) . ?
Mn1 P1 2.308(2) . ?
Mn1 P1 2.308(2) 7_655 ?
Mn1 P2 2.324(2) . ?
Mn1 P2 2.324(2) 7_655 ?
P1 C51 1.833(7) . ?
P1 C1 1.839(4) . ?
P1 C7 1.861(4) . ?
P2 C19 1.839(4) . ?
P2 C52 1.846(7) . ?
P2 C13 1.853(4) . ?
Ga Cl1 1.925(3) . ?
Ga C37 1.986(8) . ?
Ga C31 2.002(8) . ?
Ga C43 2.003(8) . ?
O1 C25 1.165(15) . ?
Cl1 Ga 1.925(3) 2 ?
C1 C2 1.39 . ?
C1 C6 1.39 . ?
C2 C3 1.39 . ?
C3 C4 1.39 . ?
C4 C5 1.39 . ?
C5 C6 1.39 . ?
C7 C8 1.39 . ?
C7 C12 1.39 . ?
C8 C9 1.39 . ?
C9 C10 1.39 . ?
C10 C11 1.39 . ?
C11 C12 1.39 . ?
C13 C14 1.39 . ?
C13 C18 1.39 . ?
C14 C15 1.39 . ?
C15 C16 1.39 . ?
C16 C17 1.39 . ?
C17 C18 1.39 . ?
C19 C20 1.39 . ?
C19 C24 1.39 . ?
C20 C21 1.39 . ?
C21 C22 1.39 . ?
C22 C23 1.39 . ?
C23 C24 1.39 . ?
C31 C32 1.381(11) . ?
C31 C36 1.393(11) . ?
C32 F1 1.355(9) . ?
C32 C33 1.377(11) . ?
C33 C34 1.357(12) . ?
C33 F2 1.363(9) . ?
C34 F3 1.349(9) . ?
C34 C35 1.368(12) . ?
C35 F4 1.351(9) . ?
C35 C36 1.376(11) . ?
C36 F5 1.354(9) . ?
C37 C42 1.358(11) . ?
C37 C38 1.370(11) . ?
C38 F6 1.365(9) . ?
C38 C39 1.404(12) . ?
C39 F7 1.352(10) . ?
C39 C40 1.370(14) . ?
C40 F8 1.341(10) . ?
C40 C41 1.374(14) . ?
C41 F9 1.341(11) . ?
C41 C42 1.375(13) . ?
C42 F10 1.359(10) . ?
C43 C48 1.377(12) . ?
C43 C44 1.377(12) . ?
C44 C45 1.362(12) . ?
C44 F11 1.366(10) . ?
C45 F12 1.342(10) . ?
C45 C46 1.364(13) . ?
C46 F13 1.349(10) . ?
C46 C47 1.389(14) . ?
C47 F14 1.320(10) . ?
C47 C48 1.376(12) . ?
C48 F15 1.342(10) . ?
C51 C52 1.531(10) 7_655 ?
C52 C51 1.531(10) 7_655 ?
