#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/67/7026745.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_7026745
loop_
_publ_author_name
'Fondo, Matilde'
'Ocampo, Noelia'
'García-Deibe, Ana M'
'Cano, Joan'
'Sanmartín, Jesús'
_publ_section_title
;
 One pot-synthesis of chiral Ni6 clusters involving Ni3 subunits: a
 combined structural, magnetic and DFT study.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10888
_journal_page_last               10899
_journal_paper_doi               10.1039/c0dt00659a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C60 H69 Cl N8 Ni6 O16, 4(H2 O), 3.5 O'
_chemical_formula_sum            'C60 H77 Cl N8 Ni6 O23.5'
_chemical_formula_weight         1674.01
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.681(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.863(4)
_cell_length_b                   17.737(4)
_cell_length_c                   22.319(5)
_cell_measurement_reflns_used    1489
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.05
_cell_measurement_theta_min      2.74
_cell_volume                     7452(3)
_computing_cell_refinement       'BRUKER Smart'
_computing_data_collection       'BRUKER Smart'
_computing_publication_material  'Wingx 1.70.01 (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare, 1993)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker CCD SMART1000 '
_diffrn_measurement_method       'omega/phi 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  0.0627
_diffrn_reflns_av_sigmaI/netI    0.0167
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            63329
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.597
_exptl_absorpt_correction_T_max  0.5993
_exptl_absorpt_correction_T_min  0.4150
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3464
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.32
_refine_diff_density_max         1.132
_refine_diff_density_min         -0.887
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         6947
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0343
_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)+(0.0534P)²+29.9619P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1038
_reflns_number_gt                6138
_reflns_number_total             6947
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00659a.txt
_cod_data_source_block           1.7.5H2O
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C60 H77 Cl N8 Ni6 O23.50'
_cod_database_code               7026745
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_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
Ni11 Ni 0.711845(18) 0.14576(2) 0.753267(15) 0.01484(10) Uani 1 1 d . . .
Ni12 Ni 0.600912(19) 0.03590(2) 0.701436(15) 0.01535(10) Uani 1 1 d . . .
Ni13 Ni 0.582110(18) 0.236964(19) 0.762282(15) 0.01208(10) Uani 1 1 d . . .
Cl1 Cl 0.5000 -0.02109(6) 0.7500 0.0206(2) Uani 1 2 d S . .
O101 O 0.67596(10) 0.24553(11) 0.72137(9) 0.0158(4) Uani 1 1 d . . .
O102 O 0.53464(11) 0.09366(11) 0.64210(9) 0.0176(4) Uani 1 1 d . . .
O103 O 0.68506(10) 0.09371(11) 0.67110(8) 0.0165(4) Uani 1 1 d . . .
N101 N 0.80898(13) 0.17013(14) 0.72775(11) 0.0197(5) Uani 1 1 d . . .
N102 N 0.59492(14) -0.05249(14) 0.64364(11) 0.0207(5) Uani 1 1 d . . .
N103 N 0.76142(13) 0.04647(15) 0.78660(11) 0.0206(5) Uani 1 1 d . . .
N104 N 0.67768(14) -0.03922(14) 0.75082(11) 0.0208(5) Uani 1 1 d . . .
O3W O 0.51095(10) 0.21935(12) 0.68946(9) 0.0134(4) Uani 1 1 d . . .
O1H O 0.60744(10) 0.12356(11) 0.76367(9) 0.0151(4) Uani 1 1 d . . .
O13 O 0.63503(10) 0.26110(11) 0.84249(9) 0.0171(4) Uani 1 1 d . . .
O11 O 0.73444(11) 0.19306(12) 0.83738(9) 0.0206(4) Uani 1 1 d . . .
O31 O 0.55961(10) 0.34811(11) 0.75589(9) 0.0152(4) Uani 1 1 d . . .
C10 C 0.69528(15) 0.23823(16) 0.86275(13) 0.0179(6) Uani 1 1 d . . .
C11 C 0.72095(18) 0.26802(19) 0.92382(14) 0.0260(7) Uani 1 1 d . . .
H11A H 0.7678 0.2468 0.9353 0.039 Uiso 1 1 calc R . .
H11B H 0.6874 0.2534 0.9535 0.039 Uiso 1 1 calc R . .
H11C H 0.7243 0.3231 0.9222 0.039 Uiso 1 1 calc R . .
C30 C 0.5000 0.3796(2) 0.7500 0.0166(8) Uani 1 2 d S . .
C31 C 0.5000 0.4648(3) 0.7500 0.0363(13) Uani 1 2 d S . .
H31A H 0.5456 0.4832 0.7370 0.054 Uiso 0.50 1 calc PR . .
H31B H 0.4931 0.4832 0.7906 0.054 Uiso 0.50 1 calc PR . .
H31C H 0.4614 0.4832 0.7223 0.054 Uiso 0.50 1 calc PR . .
C100 C 0.69786(15) 0.27524(15) 0.67195(12) 0.0149(6) Uani 1 1 d . . .
C101 C 0.65442(16) 0.32674(16) 0.63846(13) 0.0180(6) Uani 1 1 d . . .
H101 H 0.6101 0.3413 0.6529 0.022 Uiso 1 1 calc R . .
C102 C 0.67483(18) 0.35644(17) 0.58518(14) 0.0237(7) Uani 1 1 d . . .
H102 H 0.6439 0.3903 0.5633 0.028 Uiso 1 1 calc R . .
C103 C 0.74001(19) 0.33780(18) 0.56278(14) 0.0274(7) Uani 1 1 d . . .
H103 H 0.7533 0.3578 0.5256 0.033 Uiso 1 1 calc R . .
C104 C 0.78445(17) 0.28981(18) 0.59584(14) 0.0244(7) Uani 1 1 d . . .
H104 H 0.8293 0.2778 0.5813 0.029 Uiso 1 1 calc R . .
C105 C 0.76594(16) 0.25772(16) 0.65040(13) 0.0184(6) Uani 1 1 d . . .
C106 C 0.81843(16) 0.20966(17) 0.68097(13) 0.0205(6) Uani 1 1 d . . .
H106 H 0.8639 0.2072 0.6650 0.025 Uiso 1 1 calc R . .
C107 C 0.86523(16) 0.11940(19) 0.75162(15) 0.0255(7) Uani 1 1 d . . .
H10A H 0.9063 0.1491 0.7685 0.031 Uiso 1 1 calc R . .
H10B H 0.8815 0.0870 0.7191 0.031 Uiso 1 1 calc R . .
C108 C 0.83549(16) 0.07037(19) 0.80095(14) 0.0259(7) Uani 1 1 d . . .
H10C H 0.8657 0.0250 0.8071 0.031 Uiso 1 1 calc R . .
H10D H 0.8379 0.0991 0.8391 0.031 Uiso 1 1 calc R . .
C109 C 0.72819(17) 0.01762(18) 0.84120(13) 0.0240(7) Uani 1 1 d . . .
H10E H 0.7061 0.0593 0.8629 0.029 Uiso 1 1 calc R . .
H10F H 0.7640 -0.0075 0.8688 0.029 Uiso 1 1 calc R . .
C110 C 0.67246(18) -0.03815(18) 0.81740(13) 0.0248(7) Uani 1 1 d . . .
H11D H 0.6820 -0.0889 0.8346 0.030 Uiso 1 1 calc R . .
H11E H 0.6245 -0.0219 0.8276 0.030 Uiso 1 1 calc R . .
C111 C 0.66084(18) -0.11489(17) 0.72592(15) 0.0260(7) Uani 1 1 d . . .
H11F H 0.6187 -0.1352 0.7447 0.031 Uiso 1 1 calc R . .
H11G H 0.7012 -0.1492 0.7360 0.031 Uiso 1 1 calc R . .
C112 C 0.64609(18) -0.11286(17) 0.65823(15) 0.0258(7) Uani 1 1 d . . .
H11H H 0.6907 -0.1033 0.6384 0.031 Uiso 1 1 calc R . .
H11I H 0.6265 -0.1619 0.6438 0.031 Uiso 1 1 calc R . .
C113 C 0.54399(17) -0.06511(17) 0.60422(13) 0.0230(6) Uani 1 1 d . . .
H113 H 0.5430 -0.1133 0.5855 0.028 Uiso 1 1 calc R . .
C114 C 0.48779(16) -0.01308(17) 0.58538(13) 0.0209(6) Uani 1 1 d . . .
C115 C 0.43413(18) -0.04086(19) 0.54467(14) 0.0261(7) Uani 1 1 d . . .
H115 H 0.4358 -0.0920 0.5322 0.031 Uiso 1 1 calc R . .
C116 C 0.37911(18) 0.0042(2) 0.52233(14) 0.0281(7) Uani 1 1 d . . .
H116 H 0.3429 -0.0157 0.4953 0.034 Uiso 1 1 calc R . .
C117 C 0.37736(17) 0.07904(19) 0.53989(13) 0.0245(7) Uani 1 1 d . . .
H117 H 0.3401 0.1108 0.5241 0.029 Uiso 1 1 calc R . .
C118 C 0.42924(16) 0.10819(18) 0.58011(13) 0.0211(6) Uani 1 1 d . . .
H118 H 0.4268 0.1597 0.5916 0.025 Uiso 1 1 calc R . .
C119 C 0.48539(15) 0.06324(17) 0.60434(12) 0.0178(6) Uani 1 1 d . . .
C120 C 0.75368(16) -0.01910(17) 0.74517(13) 0.0209(6) Uani 1 1 d . . .
H120 H 0.7841 -0.0613 0.7619 0.025 Uiso 1 1 calc R . .
C121 C 0.77369(16) -0.00238(17) 0.68239(13) 0.0196(6) Uani 1 1 d . . .
C122 C 0.82841(16) -0.04316(17) 0.65855(14) 0.0224(6) Uani 1 1 d . . .
H122 H 0.8518 -0.0818 0.6817 0.027 Uiso 1 1 calc R . .
C123 C 0.84888(17) -0.02752(18) 0.60109(14) 0.0258(7) Uani 1 1 d . . .
H123 H 0.8863 -0.0551 0.5849 0.031 Uiso 1 1 calc R . .
C124 C 0.81381(17) 0.02898(18) 0.56770(14) 0.0253(7) Uani 1 1 d . . .
H124 H 0.8277 0.0401 0.5285 0.030 Uiso 1 1 calc R . .
C125 C 0.75879(16) 0.06928(17) 0.59093(13) 0.0198(6) Uani 1 1 d . . .
H125 H 0.7354 0.1077 0.5675 0.024 Uiso 1 1 calc R . .
C126 C 0.73744(15) 0.05391(16) 0.64860(13) 0.0167(6) Uani 1 1 d . . .
H1H H 0.601(2) 0.105(2) 0.7922(18) 0.028(11) Uiso 1 1 d . . .
H3W1 H 0.5097(18) 0.251(2) 0.6639(16) 0.016(9) Uiso 1 1 d . . .
H3W2 H 0.516(2) 0.173(3) 0.6729(19) 0.042(12) Uiso 1 1 d . . .
O1W O 0.47794(13) 0.32815(14) 0.60565(12) 0.0248(5) Uani 1 1 d . . .
H1W1 H 0.442(3) 0.318(3) 0.615(2) 0.044(16) Uiso 1 1 d . . .
H1W2 H 0.481(3) 0.313(3) 0.575(2) 0.045(16) Uiso 1 1 d . . .
O2W O 0.61071(12) 0.17837(12) 0.55532(10) 0.0259(5) Uani 1 1 d . . .
H2W1 H 0.6051 0.1546 0.5813 0.040 Uiso 1 1 d . . .
H2W2 H 0.5736 0.1971 0.5364 0.040 Uiso 1 1 d . . .
O4W O 0.5020(3) 0.2609(4) 0.4967(3) 0.0283(15) Uiso 0.50 1 d P A 1
O5W O 0.5253(3) 0.2954(4) 0.4477(3) 0.0318(14) Uiso 0.50 1 d P B 2
O6W O 0.4932(5) 0.2392(6) 0.4951(4) 0.024(2) Uiso 0.25 1 d P C 3
O7W O 0.5453(12) 0.2372(13) 0.4475(10) 0.027(5) Uiso 0.10 1 d P D 4
O8W O 0.4675(6) 0.3439(7) 0.4210(5) 0.024(2) Uiso 0.20 1 d P E 5
O9W' O 0.4806(13) 0.3747(15) 0.4355(11) 0.027(5) Uiso 0.10 1 d P F 6
O9W" O 0.4595(11) 0.3628(12) 0.4780(9) 0.020(4) Uiso 0.10 1 d P G 7
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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
N101 Ni11 O101 90.15(9) . .
N101 Ni11 O1H 169.87(9) . .
O101 Ni11 O1H 84.51(8) . .
N101 Ni11 O11 91.80(9) . .
O101 Ni11 O11 90.54(8) . .
O1H Ni11 O11 96.83(8) . .
N101 Ni11 O103 91.14(9) . .
O101 Ni11 O103 91.21(8) . .
O1H Ni11 O103 80.40(8) . .
O11 Ni11 O103 176.57(8) . .
N101 Ni11 N103 83.53(10) . .
O101 Ni11 N103 173.35(9) . .
O1H Ni11 N103 102.04(9) . .
O11 Ni11 N103 87.58(9) . .
O103 Ni11 N103 91.00(9) . .
N101 Ni11 Ni13 132.81(8) . .
O101 Ni11 Ni13 43.88(6) . .
O1H Ni11 Ni13 44.43(6) . .
O11 Ni11 Ni13 80.78(6) . .
O103 Ni11 Ni13 98.48(5) . .
N103 Ni11 Ni13 141.74(7) . .
N102 Ni12 O102 88.19(9) . .
N102 Ni12 O103 100.95(9) . .
O102 Ni12 O103 89.40(8) . .
N102 Ni12 O1H 177.67(9) . .
O102 Ni12 O1H 93.76(8) . .
O103 Ni12 O1H 80.35(8) . .
N102 Ni12 N104 81.90(10) . .
O102 Ni12 N104 169.20(9) . .
O103 Ni12 N104 88.27(9) . .
O1H Ni12 N104 96.24(9) . .
N102 Ni12 Cl1 87.11(7) . .
O102 Ni12 Cl1 91.90(6) . .
O103 Ni12 Cl1 171.87(6) . .
O1H Ni12 Cl1 91.56(6) . .
N104 Ni12 Cl1 91.90(7) . .
O31 Ni13 O13 86.90(8) . .
O31 Ni13 O101 94.58(8) . .
O13 Ni13 O101 89.28(8) . .
O31 Ni13 O3W 88.23(8) . .
O13 Ni13 O3W 168.62(8) . .
O101 Ni13 O3W 101.36(8) . .
O31 Ni13 O1H 176.52(8) . .
O13 Ni13 O1H 95.25(8) . .
O101 Ni13 O1H 82.73(8) . .
O3W Ni13 O1H 90.14(8) . .
O31 Ni13 O3W 90.15(8) . 2_656
O13 Ni13 O3W 87.70(8) . 2_656
O101 Ni13 O3W 174.25(8) . 2_656
O3W Ni13 O3W 82.03(9) . 2_656
O1H Ni13 O3W 92.68(8) . 2_656
O31 Ni13 Ni11 134.56(6) . .
O13 Ni13 Ni11 79.25(6) . .
O101 Ni13 Ni11 42.81(6) . .
O3W Ni13 Ni11 111.32(6) . .
O1H Ni13 Ni11 43.59(6) . .
O3W Ni13 Ni11 131.66(6) 2_656 .
Ni12 Cl1 Ni12 131.61(5) . 2_656
C100 O101 Ni11 122.30(17) . .
C100 O101 Ni13 137.03(18) . .
Ni11 O101 Ni13 93.31(8) . .
C119 O102 Ni12 125.67(18) . .
C126 O103 Ni12 117.91(17) . .
C126 O103 Ni11 114.86(17) . .
Ni12 O103 Ni11 94.60(8) . .
C106 N101 C107 119.8(3) . .
C106 N101 Ni11 121.9(2) . .
C107 N101 Ni11 114.8(2) . .
C113 N102 C112 118.7(3) . .
C113 N102 Ni12 125.5(2) . .
C112 N102 Ni12 114.5(2) . .
C108 N103 C120 114.4(2) . .
C108 N103 C109 111.2(2) . .
C120 N103 C109 102.1(2) . .
C108 N103 Ni11 103.24(19) . .
C120 N103 Ni11 114.24(18) . .
C109 N103 Ni11 111.95(18) . .
C111 N104 C120 111.7(2) . .
C111 N104 C110 111.0(2) . .
C120 N104 C110 101.9(2) . .
C111 N104 Ni12 103.99(19) . .
C120 N104 Ni12 114.62(18) . .
C110 N104 Ni12 113.90(18) . .
Ni13 O3W Ni13 95.42(8) . 2_656
Ni13 O3W H3W1 116(2) . .
Ni13 O3W H3W1 106(2) 2_656 .
Ni13 O3W H3W2 112(3) . .
Ni13 O3W H3W2 117(3) 2_656 .
H3W1 O3W H3W2 110(4) . .
Ni11 O1H Ni13 91.97(8) . .
Ni11 O1H Ni12 94.85(8) . .
Ni13 O1H Ni12 135.44(11) . .
Ni11 O1H H1H 114(3) . .
Ni13 O1H H1H 113(3) . .
Ni12 O1H H1H 104(3) . .
C10 O13 Ni13 128.75(18) . .
C30 O31 Ni13 128.6(2) . .
C10 O11 Ni11 125.17(18) . .
O11 C10 O13 126.0(3) . .
O11 C10 C11 117.9(3) . .
O13 C10 C11 116.1(3) . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O31 C30 O31 127.2(4) . 2_656
O31 C30 C31 116.41(19) . .
O31 C30 C31 116.41(19) 2_656 .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
O101 C100 C101 120.2(3) . .
O101 C100 C105 122.1(3) . .
C101 C100 C105 117.7(3) . .
C102 C101 C100 121.4(3) . .
C102 C101 H101 119.3 . .
C100 C101 H101 119.3 . .
C101 C102 C103 121.3(3) . .
C101 C102 H102 119.3 . .
C103 C102 H102 119.3 . .
C104 C103 C102 118.3(3) . .
C104 C103 H103 120.8 . .
C102 C103 H103 120.8 . .
C103 C104 C105 122.5(3) . .
C103 C104 H104 118.7 . .
C105 C104 H104 118.7 . .
C104 C105 C100 118.7(3) . .
C104 C105 C106 116.5(3) . .
C100 C105 C106 124.8(3) . .
N101 C106 C105 125.6(3) . .
N101 C106 H106 117.2 . .
C105 C106 H106 117.2 . .
N101 C107 C108 108.6(2) . .
N101 C107 H10A 110.0 . .
C108 C107 H10A 110.0 . .
N101 C107 H10B 110.0 . .
C108 C107 H10B 110.0 . .
H10A C107 H10B 108.4 . .
N103 C108 C107 113.0(2) . .
N103 C108 H10C 109.0 . .
C107 C108 H10C 109.0 . .
N103 C108 H10D 109.0 . .
C107 C108 H10D 109.0 . .
H10C C108 H10D 107.8 . .
N103 C109 C110 104.8(2) . .
N103 C109 H10E 110.8 . .
C110 C109 H10E 110.8 . .
N103 C109 H10F 110.8 . .
C110 C109 H10F 110.8 . .
H10E C109 H10F 108.9 . .
N104 C110 C109 105.6(2) . .
N104 C110 H11D 110.6 . .
C109 C110 H11D 110.6 . .
N104 C110 H11E 110.6 . .
C109 C110 H11E 110.6 . .
H11D C110 H11E 108.8 . .
N104 C111 C112 111.9(3) . .
N104 C111 H11F 109.2 . .
C112 C111 H11F 109.2 . .
N104 C111 H11G 109.2 . .
C112 C111 H11G 109.2 . .
H11F C111 H11G 107.9 . .
N102 C112 C111 108.3(2) . .
N102 C112 H11H 110.0 . .
C111 C112 H11H 110.0 . .
N102 C112 H11I 110.0 . .
C111 C112 H11I 110.0 . .
H11H C112 H11I 108.4 . .
N102 C113 C114 126.3(3) . .
N102 C113 H113 116.9 . .
C114 C113 H113 116.9 . .
C115 C114 C119 119.4(3) . .
C115 C114 C113 116.6(3) . .
C119 C114 C113 123.9(3) . .
C116 C115 C114 121.6(3) . .
C116 C115 H115 119.2 . .
C114 C115 H115 119.2 . .
C115 C116 C117 119.0(3) . .
C115 C116 H116 120.5 . .
C117 C116 H116 120.5 . .
C116 C117 C118 120.8(3) . .
C116 C117 H117 119.6 . .
C118 C117 H117 119.6 . .
C117 C118 C119 121.4(3) . .
C117 C118 H118 119.3 . .
C119 C118 H118 119.3 . .
O102 C119 C118 119.5(3) . .
O102 C119 C114 122.8(3) . .
C118 C119 C114 117.6(3) . .
N103 C120 N104 101.0(2) . .
N103 C120 C121 113.9(2) . .
N104 C120 C121 115.2(2) . .
N103 C120 H120 108.8 . .
N104 C120 H120 108.8 . .
C121 C120 H120 108.8 . .
C122 C121 C126 120.8(3) . .
C122 C121 C120 119.3(3) . .
C126 C121 C120 119.9(3) . .
C123 C122 C121 120.3(3) . .
C123 C122 H122 119.8 . .
C121 C122 H122 119.8 . .
C124 C123 C122 119.2(3) . .
C124 C123 H123 120.4 . .
C122 C123 H123 120.4 . .
C125 C124 C123 120.8(3) . .
C125 C124 H124 119.6 . .
C123 C124 H124 119.6 . .
C124 C125 C126 120.6(3) . .
C124 C125 H125 119.7 . .
C126 C125 H125 119.7 . .
O103 C126 C125 120.3(3) . .
O103 C126 C121 121.3(3) . .
C125 C126 C121 118.3(3) . .
H1W1 O1W H1W2 106(5) . .
H2W1 O2W H2W2 117.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni11 N101 2.000(3) .
Ni11 O101 2.009(2) .
Ni11 O1H 2.036(2) .
Ni11 O11 2.075(2) .
Ni11 O103 2.086(2) .
Ni11 N103 2.107(3) .
Ni11 Ni13 2.9511(7) .
Ni12 N102 2.029(3) .
Ni12 O102 2.038(2) .
Ni12 O103 2.041(2) .
Ni12 O1H 2.083(2) .
Ni12 N104 2.209(3) .
Ni12 Cl1 2.4668(6) .
Ni13 O31 2.020(2) .
Ni13 O13 2.038(2) .
Ni13 O101 2.049(2) .
Ni13 O3W 2.064(2) .
Ni13 O1H 2.067(2) .
Ni13 O3W 2.140(2) 2_656
Cl1 Ni12 2.4668(6) 2_656
O101 C100 1.313(3) .
O102 C119 1.328(3) .
O103 C126 1.338(3) .
N101 C106 1.280(4) .
N101 C107 1.465(4) .
N102 C113 1.280(4) .
N102 C112 1.464(4) .
N103 C108 1.475(4) .
N103 C120 1.487(4) .
N103 C109 1.496(4) .
N104 C111 1.479(4) .
N104 C120 1.491(4) .
N104 C110 1.496(4) .
O3W Ni13 2.140(2) 2_656
O3W H3W1 0.80(4) .
O3W H3W2 0.90(5) .
O1H H1H 0.73(4) .
O13 C10 1.263(4) .
O31 C30 1.255(3) .
O11 C10 1.250(4) .
C10 C11 1.512(4) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C30 O31 1.255(3) 2_656
C30 C31 1.512(6) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C100 C101 1.409(4) .
C100 C105 1.434(4) .
C101 C102 1.378(4) .
C101 H101 0.9500 .
C102 C103 1.396(5) .
C102 H102 0.9500 .
C103 C104 1.376(5) .
C103 H103 0.9500 .
C104 C105 1.408(4) .
C104 H104 0.9500 .
C105 C106 1.444(4) .
C106 H106 0.9500 .
C107 C108 1.537(5) .
C107 H10A 0.9900 .
C107 H10B 0.9900 .
C108 H10C 0.9900 .
C108 H10D 0.9900 .
C109 C110 1.515(5) .
C109 H10E 0.9900 .
C109 H10F 0.9900 .
C110 H11D 0.9900 .
C110 H11E 0.9900 .
C111 C112 1.519(5) .
C111 H11F 0.9900 .
C111 H11G 0.9900 .
C112 H11H 0.9900 .
C112 H11I 0.9900 .
C113 C114 1.448(5) .
C113 H113 0.9500 .
C114 C115 1.405(4) .
C114 C119 1.420(4) .
C115 C116 1.378(5) .
C115 H115 0.9500 .
C116 C117 1.384(5) .
C116 H116 0.9500 .
C117 C118 1.385(4) .
C117 H117 0.9500 .
C118 C119 1.406(4) .
C118 H118 0.9500 .
C120 C121 1.504(4) .
C120 H120 1.0000 .
C121 C122 1.394(4) .
C121 C126 1.403(4) .
C122 C123 1.391(4) .
C122 H122 0.9500 .
C123 C124 1.391(5) .
C123 H123 0.9500 .
C124 C125 1.388(4) .
C124 H124 0.9500 .
C125 C126 1.400(4) .
C125 H125 0.9500 .
O1W H1W1 0.75(5) .
O1W H1W2 0.74(5) .
O2W H2W1 0.7293 .
O2W H2W2 0.8607 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3W H3W1 O1W 0.80(4) 1.96(4) 2.731(3) 164(3) .
O3W H3W2 O102 0.90(5) 1.62(5) 2.520(3) 173(4) .
O1W H1W1 O13 0.75(5) 2.05(6) 2.759(3) 158(5) 2_656
O1W H1W2 O4W 0.74(5) 2.04(6) 2.772(6) 170(5) .
O1W H1W2 O6W 0.74(5) 2.23(6) 2.957(10) 165(5) .
O1W H1W2 O9W" 0.74(5) 2.35(6) 2.91(2) 134(5) .
O2W H2W1 O102 0.73 2.24 2.903(3) 152.0 .
O2W H2W1 O103 0.73 2.66 3.230(3) 136.7 .
O2W H2W2 O6W 0.86 1.88 2.739(9) 179.3 .
O2W H2W2 O4W 0.86 1.93 2.779(6) 166.7 .
O2W H2W2 O7W 0.86 2.14 2.83(2) 136.8 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N101 Ni11 Ni13 O31 -9.39(13) . .
O101 Ni11 Ni13 O31 -26.05(11) . .
O1H Ni11 Ni13 O31 -175.79(12) . .
O11 Ni11 Ni13 O31 74.47(10) . .
O103 Ni11 Ni13 O31 -108.92(10) . .
N103 Ni11 Ni13 O31 148.51(14) . .
N101 Ni11 Ni13 O13 -84.07(11) . .
O101 Ni11 Ni13 O13 -100.73(10) . .
O1H Ni11 Ni13 O13 109.54(10) . .
O11 Ni11 Ni13 O13 -0.20(8) . .
O103 Ni11 Ni13 O13 176.40(8) . .
N103 Ni11 Ni13 O13 73.84(13) . .
N101 Ni11 Ni13 O101 16.66(13) . .
O1H Ni11 Ni13 O101 -149.73(12) . .
O11 Ni11 Ni13 O101 100.52(10) . .
O103 Ni11 Ni13 O101 -82.87(10) . .
N103 Ni11 Ni13 O101 174.57(14) . .
N101 Ni11 Ni13 O3W 100.34(12) . .
O101 Ni11 Ni13 O3W 83.68(10) . .
O1H Ni11 Ni13 O3W -66.05(11) . .
O11 Ni11 Ni13 O3W -175.79(9) . .
O103 Ni11 Ni13 O3W 0.81(8) . .
N103 Ni11 Ni13 O3W -101.75(13) . .
N101 Ni11 Ni13 O1H 166.39(13) . .
O101 Ni11 Ni13 O1H 149.73(12) . .
O11 Ni11 Ni13 O1H -109.74(10) . .
O103 Ni11 Ni13 O1H 66.86(10) . .
N103 Ni11 Ni13 O1H -35.70(14) . .
N101 Ni11 Ni13 O3W -161.15(12) . 2_656
O101 Ni11 Ni13 O3W -177.81(11) . 2_656
O1H Ni11 Ni13 O3W 32.45(11) . 2_656
O11 Ni11 Ni13 O3W -77.29(10) . 2_656
O103 Ni11 Ni13 O3W 99.32(9) . 2_656
N103 Ni11 Ni13 O3W -3.25(14) . 2_656
N102 Ni12 Cl1 Ni12 -145.65(7) . 2_656
O102 Ni12 Cl1 Ni12 -57.56(6) . 2_656
O1H Ni12 Cl1 Ni12 36.26(6) . 2_656
N104 Ni12 Cl1 Ni12 132.56(7) . 2_656
N101 Ni11 O101 C100 37.5(2) . .
O1H Ni11 O101 C100 -133.9(2) . .
O11 Ni11 O101 C100 129.3(2) . .
O103 Ni11 O101 C100 -53.7(2) . .
Ni13 Ni11 O101 C100 -154.7(2) . .
N101 Ni11 O101 Ni13 -167.86(9) . .
O1H Ni11 O101 Ni13 20.76(8) . .
O11 Ni11 O101 Ni13 -76.05(8) . .
O103 Ni11 O101 Ni13 100.99(8) . .
O31 Ni13 O101 C100 -50.4(3) . .
O13 Ni13 O101 C100 -137.2(3) . .
O3W Ni13 O101 C100 38.7(3) . .
O1H Ni13 O101 C100 127.4(3) . .
Ni11 Ni13 O101 C100 147.9(3) . .
O31 Ni13 O101 Ni11 161.71(8) . .
O13 Ni13 O101 Ni11 74.88(8) . .
O3W Ni13 O101 Ni11 -109.19(8) . .
O1H Ni13 O101 Ni11 -20.51(8) . .
N102 Ni12 O102 C119 29.4(2) . .
O103 Ni12 O102 C119 130.4(2) . .
O1H Ni12 O102 C119 -149.3(2) . .
N104 Ni12 O102 C119 52.9(6) . .
Cl1 Ni12 O102 C119 -57.6(2) . .
N102 Ni12 O103 C126 -33.6(2) . .
O102 Ni12 O103 C126 -121.61(19) . .
O1H Ni12 O103 C126 144.5(2) . .
N104 Ni12 O103 C126 47.84(19) . .
N102 Ni12 O103 Ni11 -154.89(9) . .
O102 Ni12 O103 Ni11 117.06(8) . .
O1H Ni12 O103 Ni11 23.15(8) . .
N104 Ni12 O103 Ni11 -73.49(9) . .
N101 Ni11 O103 C126 38.2(2) . .
O101 Ni11 O103 C126 128.37(19) . .
O1H Ni11 O103 C126 -147.41(19) . .
N103 Ni11 O103 C126 -45.36(19) . .
Ni13 Ni11 O103 C126 171.83(18) . .
N101 Ni11 O103 Ni12 161.89(9) . .
O101 Ni11 O103 Ni12 -107.94(8) . .
O1H Ni11 O103 Ni12 -23.71(8) . .
N103 Ni11 O103 Ni12 78.34(9) . .
Ni13 Ni11 O103 Ni12 -64.47(6) . .
O101 Ni11 N101 C106 -33.0(2) . .
O1H Ni11 N101 C106 25.1(7) . .
O11 Ni11 N101 C106 -123.5(2) . .
O103 Ni11 N101 C106 58.2(2) . .
N103 Ni11 N101 C106 149.1(2) . .
Ni13 Ni11 N101 C106 -44.5(3) . .
O101 Ni11 N101 C107 168.1(2) . .
O1H Ni11 N101 C107 -133.8(5) . .
O11 Ni11 N101 C107 77.5(2) . .
O103 Ni11 N101 C107 -100.7(2) . .
N103 Ni11 N101 C107 -9.8(2) . .
Ni13 Ni11 N101 C107 156.63(17) . .
O102 Ni12 N102 C113 -24.1(3) . .
O103 Ni12 N102 C113 -113.2(3) . .
N104 Ni12 N102 C113 160.2(3) . .
Cl1 Ni12 N102 C113 67.8(3) . .
O102 Ni12 N102 C112 169.2(2) . .
O103 Ni12 N102 C112 80.1(2) . .
N104 Ni12 N102 C112 -6.5(2) . .
Cl1 Ni12 N102 C112 -98.8(2) . .
N101 Ni11 N103 C108 28.96(18) . .
O1H Ni11 N103 C108 -159.61(17) . .
O11 Ni11 N103 C108 -63.14(18) . .
O103 Ni11 N103 C108 119.99(18) . .
Ni13 Ni11 N103 C108 -134.92(15) . .
N101 Ni11 N103 C120 -95.9(2) . .
O1H Ni11 N103 C120 75.5(2) . .
O11 Ni11 N103 C120 172.0(2) . .
O103 Ni11 N103 C120 -4.9(2) . .
Ni13 Ni11 N103 C120 100.2(2) . .
N101 Ni11 N103 C109 148.7(2) . .
O1H Ni11 N103 C109 -39.9(2) . .
O11 Ni11 N103 C109 56.6(2) . .
O103 Ni11 N103 C109 -120.3(2) . .
Ni13 Ni11 N103 C109 -15.2(3) . .
N102 Ni12 N104 C111 -19.10(19) . .
O102 Ni12 N104 C111 -42.8(6) . .
O103 Ni12 N104 C111 -120.42(19) . .
O1H Ni12 N104 C111 159.49(18) . .
Cl1 Ni12 N104 C111 67.71(18) . .
N102 Ni12 N104 C120 103.1(2) . .
O102 Ni12 N104 C120 79.4(5) . .
O103 Ni12 N104 C120 1.81(19) . .
O1H Ni12 N104 C120 -78.3(2) . .
Cl1 Ni12 N104 C120 -170.05(19) . .
N102 Ni12 N104 C110 -140.1(2) . .
O102 Ni12 N104 C110 -163.8(4) . .
O103 Ni12 N104 C110 118.6(2) . .
O1H Ni12 N104 C110 38.5(2) . .
Cl1 Ni12 N104 C110 -53.3(2) . .
O31 Ni13 O3W Ni13 -73.69(8) . 2_656
O13 Ni13 O3W Ni13 -9.0(5) . 2_656
O101 Ni13 O3W Ni13 -168.00(8) . 2_656
O1H Ni13 O3W Ni13 109.39(9) . 2_656
O3W Ni13 O3W Ni13 16.70(11) 2_656 2_656
Ni11 Ni13 O3W Ni13 148.45(5) . 2_656
N101 Ni11 O1H Ni13 -79.0(5) . .
O101 Ni11 O1H Ni13 -20.55(8) . .
O11 Ni11 O1H Ni13 69.34(9) . .
O103 Ni11 O1H Ni13 -112.71(8) . .
N103 Ni11 O1H Ni13 158.32(8) . .
N101 Ni11 O1H Ni12 56.9(5) . .
O101 Ni11 O1H Ni12 115.38(9) . .
O11 Ni11 O1H Ni12 -154.73(8) . .
O103 Ni11 O1H Ni12 23.21(8) . .
N103 Ni11 O1H Ni12 -65.76(10) . .
Ni13 Ni11 O1H Ni12 135.93(11) . .
O13 Ni13 O1H Ni11 -68.40(8) . .
O101 Ni13 O1H Ni11 20.20(8) . .
O3W Ni13 O1H Ni11 121.64(8) . .
O3W Ni13 O1H Ni11 -156.34(8) 2_656 .
O13 Ni13 O1H Ni12 -167.35(14) . .
O101 Ni13 O1H Ni12 -78.75(15) . .
O3W Ni13 O1H Ni12 22.69(15) . .
O3W Ni13 O1H Ni12 104.71(15) 2_656 .
Ni11 Ni13 O1H Ni12 -98.95(16) . .
O102 Ni12 O1H Ni11 -112.50(9) . .
O103 Ni12 O1H Ni11 -23.76(8) . .
N104 Ni12 O1H Ni11 63.41(10) . .
Cl1 Ni12 O1H Ni11 155.49(6) . .
O102 Ni12 O1H Ni13 -14.72(15) . .
O103 Ni12 O1H Ni13 74.03(15) . .
N104 Ni12 O1H Ni13 161.19(15) . .
Cl1 Ni12 O1H Ni13 -106.73(14) . .
O31 Ni13 O13 C10 -135.2(2) . .
O101 Ni13 O13 C10 -40.6(2) . .
O3W Ni13 O13 C10 160.0(4) . .
O1H Ni13 O13 C10 42.0(2) . .
O3W Ni13 O13 C10 134.5(2) 2_656 .
Ni11 Ni13 O13 C10 1.3(2) . .
O13 Ni13 O31 C30 -122.37(17) . .
O101 Ni13 O31 C30 148.60(16) . .
O3W Ni13 O31 C30 47.34(16) . .
O3W Ni13 O31 C30 -34.68(17) 2_656 .
Ni11 Ni13 O31 C30 166.02(11) . .
N101 Ni11 O11 C10 132.4(2) . .
O101 Ni11 O11 C10 42.2(2) . .
O1H Ni11 O11 C10 -42.3(2) . .
N103 Ni11 O11 C10 -144.1(2) . .
Ni13 Ni11 O11 C10 -0.7(2) . .
Ni11 O11 C10 O13 2.0(4) . .
Ni11 O11 C10 C11 -179.0(2) . .
Ni13 O13 C10 O11 -2.4(4) . .
Ni13 O13 C10 C11 178.6(2) . .
Ni13 O31 C30 O31 -3.37(10) . 2_656
Ni13 O31 C30 C31 176.63(10) . .
Ni11 O101 C100 C101 154.9(2) . .
Ni13 O101 C100 C101 13.7(4) . .
Ni11 O101 C100 C105 -25.7(3) . .
Ni13 O101 C100 C105 -166.9(2) . .
O101 C100 C101 C102 -177.4(3) . .
C105 C100 C101 C102 3.3(4) . .
C100 C101 C102 C103 -1.2(5) . .
C101 C102 C103 C104 -1.2(5) . .
C102 C103 C104 C105 1.5(5) . .
C103 C104 C105 C100 0.6(5) . .
C103 C104 C105 C106 -178.7(3) . .
O101 C100 C105 C104 177.7(3) . .
C101 C100 C105 C104 -2.9(4) . .
O101 C100 C105 C106 -3.1(4) . .
C101 C100 C105 C106 176.3(3) . .
C107 N101 C106 C105 175.4(3) . .
Ni11 N101 C106 C105 17.6(4) . .
C104 C105 C106 N101 -173.1(3) . .
C100 C105 C106 N101 7.7(5) . .
C106 N101 C107 C108 -171.1(3) . .
Ni11 N101 C107 C108 -11.7(3) . .
C120 N103 C108 C107 80.5(3) . .
C109 N103 C108 C107 -164.5(3) . .
Ni11 N103 C108 C107 -44.3(3) . .
N101 C107 C108 N103 38.7(4) . .
C108 N103 C109 C110 -152.2(3) . .
C120 N103 C109 C110 -29.8(3) . .
Ni11 N103 C109 C110 92.8(2) . .
C111 N104 C110 C109 147.2(3) . .
C120 N104 C110 C109 28.1(3) . .
Ni12 N104 C110 C109 -95.9(2) . .
N103 C109 C110 N104 1.0(3) . .
C120 N104 C111 C112 -82.5(3) . .
C110 N104 C111 C112 164.5(3) . .
Ni12 N104 C111 C112 41.6(3) . .
C113 N102 C112 C111 -137.1(3) . .
Ni12 N102 C112 C111 30.6(3) . .
N104 C111 C112 N102 -49.3(4) . .
C112 N102 C113 C114 178.3(3) . .
Ni12 N102 C113 C114 12.1(4) . .
N102 C113 C114 C115 -175.2(3) . .
N102 C113 C114 C119 6.5(5) . .
C119 C114 C115 C116 0.3(5) . .
C113 C114 C115 C116 -178.1(3) . .
C114 C115 C116 C117 0.9(5) . .
C115 C116 C117 C118 -1.1(5) . .
C116 C117 C118 C119 0.2(5) . .
Ni12 O102 C119 C118 159.8(2) . .
Ni12 O102 C119 C114 -22.3(4) . .
C117 C118 C119 O102 179.0(3) . .
C117 C118 C119 C114 1.0(4) . .
C115 C114 C119 O102 -179.2(3) . .
C113 C114 C119 O102 -0.9(4) . .
C115 C114 C119 C118 -1.2(4) . .
C113 C114 C119 C118 177.0(3) . .
C108 N103 C120 N104 167.9(2) . .
C109 N103 C120 N104 47.7(3) . .
Ni11 N103 C120 N104 -73.4(2) . .
C108 N103 C120 C121 -68.0(3) . .
C109 N103 C120 C121 171.8(2) . .
Ni11 N103 C120 C121 50.7(3) . .
C111 N104 C120 N103 -165.4(2) . .
C110 N104 C120 N103 -46.9(3) . .
Ni12 N104 C120 N103 76.6(2) . .
C111 N104 C120 C121 71.4(3) . .
C110 N104 C120 C121 -170.0(2) . .
Ni12 N104 C120 C121 -46.5(3) . .
N103 C120 C121 C122 120.1(3) . .
N104 C120 C121 C122 -123.8(3) . .
N103 C120 C121 C126 -59.8(4) . .
N104 C120 C121 C126 56.3(4) . .
C126 C121 C122 C123 1.3(5) . .
C120 C121 C122 C123 -178.6(3) . .
C121 C122 C123 C124 -0.3(5) . .
C122 C123 C124 C125 -0.3(5) . .
C123 C124 C125 C126 0.1(5) . .
Ni12 O103 C126 C125 125.4(2) . .
Ni11 O103 C126 C125 -124.4(2) . .
Ni12 O103 C126 C121 -56.5(3) . .
Ni11 O103 C126 C121 53.7(3) . .
C124 C125 C126 O103 179.0(3) . .
C124 C125 C126 C121 0.9(4) . .
C122 C121 C126 O103 -179.7(3) . .
C120 C121 C126 O103 0.2(4) . .
C122 C121 C126 C125 -1.5(4) . .
C120 C121 C126 C125 178.3(3) . .
