# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2003

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

loop_
_publ_author_name
'Ivan Bernal'
'Manas K. Saha'

_publ_contact_author_name        'Dr Ivan Bernal'
_publ_contact_author_address     
;
Department of Chemistry
University of Houston
Houston
TX
77204
USA
;

_publ_contact_author_email       IBERNAL@UH.EDU

_publ_section_title              
;
An unprecedented trans-Oriented product fro the
Cleavage of a Dipeptide
;

data_pbn21
_database_code_CSD               187487

_audit_creation_date             2002-05-22T18:30:50-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_sum            'C14 H36 Cl3 Co N6 O16'
_chemical_formula_weight         709.77
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b n 21'
_symmetry_space_group_name_Hall  'P 2c -2ab'
_symmetry_Int_Tables_number      33
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'

_cell_length_a                   11.696
_cell_length_b                   14.532
_cell_length_c                   16.561
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2815
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    0
_cell_measurement_theta_min      0
_cell_measurement_theta_max      0
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1472
_exptl_special_details           
;
?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.975
_exptl_absorpt_correction_type   none

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_number            4775
_diffrn_reflns_limit_h_min       -2
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.13
_diffrn_reflns_theta_max         25.95
_diffrn_reflns_theta_full        25.95
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_reflns_number_total             3327
_reflns_number_gt                2149
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0530P)^2^+1.8847P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         3327
_refine_ls_number_parameters     352
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_gt           0.0337
_refine_ls_wR_factor_ref         0.1014
_refine_ls_wR_factor_gt          0.0838
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.674
_refine_ls_shift/su_mean         0.118
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.48(8)
_refine_diff_density_max         0.333
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.076

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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 0.006 '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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
C1 C 1.1109(10) 0.0590(7) 0.8232(8) 0.039(3) Uani 1 1 d . . .
H1A H 1.1758 0.0269 0.8001 0.046 Uiso 1 1 calc R . .
H1B H 1.1075 0.0442 0.8802 0.046 Uiso 1 1 calc R . .
C2 C 1.0055(11) 0.0274(9) 0.7836(9) 0.044(4) Uani 1 1 d . . .
H2A H 1.0045 -0.0393 0.7828 0.052 Uiso 1 1 calc R . .
H2B H 1.0048 0.0488 0.7282 0.052 Uiso 1 1 calc R . .
C3 C 0.8993(11) 0.0620(7) 0.8262(9) 0.044(3) Uani 1 1 d . . .
H3A H 0.8329 0.0297 0.8055 0.052 Uiso 1 1 calc R . .
H3B H 0.9053 0.0491 0.8835 0.052 Uiso 1 1 calc R . .
C4 C 0.7756(8) 0.2000(7) 0.8481(8) 0.036(3) Uani 1 1 d . . .
H4C H 0.7695 0.183 0.9045 0.043 Uiso 1 1 calc R . .
H4D H 0.7109 0.1742 0.8193 0.043 Uiso 1 1 calc R . .
C5 C 0.7774(9) 0.3026(7) 0.8393(8) 0.037(3) Uani 1 1 d . . .
H5A H 0.7751 0.3198 0.7828 0.045 Uiso 1 1 calc R . .
H5B H 0.7121 0.3297 0.8664 0.045 Uiso 1 1 calc R . .
C6 C 0.8960(10) 0.4322(7) 0.8648(8) 0.038(3) Uani 1 1 d . . .
H6A H 0.8272 0.4625 0.8839 0.046 Uiso 1 1 calc R . .
H6B H 0.9036 0.4448 0.8076 0.046 Uiso 1 1 calc R . .
C7 C 0.9962(11) 0.4705(8) 0.9081(10) 0.051(4) Uani 1 1 d . . .
H7A H 0.9922 0.4523 0.9643 0.061 Uiso 1 1 calc R . .
H7B H 0.9927 0.5371 0.906 0.061 Uiso 1 1 calc R . .
C8 C 1.1127(11) 0.4383(8) 0.8726(8) 0.049(4) Uani 1 1 d . . .
H8A H 1.1177 0.4578 0.8167 0.059 Uiso 1 1 calc R . .
H8B H 1.1742 0.4679 0.902 0.059 Uiso 1 1 calc R . .
C9 C 1.0796(8) 0.3242(8) 0.6905(7) 0.029(3) Uani 1 1 d . . .
C10 C 1.0516(11) 0.3721(9) 0.6123(9) 0.043(3) Uani 1 1 d . . .
H10A H 1.0955 0.3443 0.569 0.052 Uiso 1 1 calc R . .
H10B H 1.074 0.4362 0.6162 0.052 Uiso 1 1 calc R . .
C11 C 0.9225(9) 0.3666(9) 0.5912(8) 0.044(4) Uani 1 1 d . . .
H11A H 0.8768 0.3747 0.6395 0.053 Uiso 1 1 calc R . .
H11B H 0.9025 0.4147 0.5531 0.053 Uiso 1 1 calc R . .
C12 C 1.0846(12) 0.1764(9) 0.9979(7) 0.039(3) Uani 1 1 d . . .
C13 C 1.0475(11) 0.1245(9) 1.0735(9) 0.046(4) Uani 1 1 d . . .
H13A H 1.0601 0.0595 1.0634 0.055 Uiso 1 1 calc R . .
H13B H 1.0992 0.1421 1.1166 0.055 Uiso 1 1 calc R . .
C14 C 0.9297(11) 0.1343(8) 1.1050(9) 0.048(4) Uani 1 1 d . . .
H14A H 0.9202 0.0916 1.1494 0.058 Uiso 1 1 calc R . .
H14B H 0.877 0.1158 1.0627 0.058 Uiso 1 1 calc R . .
N1 N 1.1273(7) 0.1599(7) 0.8134(7) 0.037(3) Uani 1 1 d . . .
H1C H 1.1413 0.1699 0.7607 0.044 Uiso 1 1 calc R . .
H1D H 1.1916 0.1747 0.8402 0.044 Uiso 1 1 calc R . .
N2 N 0.8839(7) 0.1651(6) 0.8137(6) 0.030(2) Uani 1 1 d . . .
H2 H 0.8769 0.1726 0.7594 0.036 Uiso 1 1 calc R . .
N3 N 0.8849(7) 0.3345(5) 0.8768(6) 0.025(2) Uani 1 1 d . . .
H3 H 0.875 0.3268 0.9308 0.03 Uiso 1 1 calc R . .
N4 N 1.1284(7) 0.3378(7) 0.8765(7) 0.034(3) Uani 1 1 d . . .
H4A H 1.1483 0.3246 0.9277 0.04 Uiso 1 1 calc R . .
H4B H 1.1896 0.3246 0.8457 0.04 Uiso 1 1 calc R . .
N5 N 0.9003(9) 0.2759(8) 0.5555(8) 0.054(3) Uani 1 1 d . . .
H5C H 0.8284 0.2735 0.538 0.081 Uiso 1 1 calc R . .
H5D H 0.9113 0.2325 0.5926 0.081 Uiso 1 1 calc R . .
H5E H 0.9477 0.2667 0.5143 0.081 Uiso 1 1 calc R . .
N6 N 0.8957(9) 0.2268(7) 1.1333(9) 0.051(3) Uani 1 1 d . . .
H6A' H 0.8216 0.2267 1.1457 0.077 Uiso 1 1 calc R . .
H6B' H 0.9087 0.2678 1.0945 0.077 Uiso 1 1 calc R . .
H6C H 0.9363 0.2415 1.1769 0.077 Uiso 1 1 calc R . .
O1 O 1.1866(6) 0.3131(6) 0.7086(5) 0.039(2) Uani 1 1 d . . .
O2 O 0.9990(6) 0.2995(6) 0.7370(5) 0.028(2) Uani 1 1 d . . .
O3 O 0.9977(6) 0.2014(6) 0.9531(5) 0.030(2) Uani 1 1 d . . .
O4 O 1.1815(7) 0.1879(7) 0.9832(6) 0.053(3) Uani 1 1 d . . .
O5 O 1.2436(10) 0.0845(9) 0.6393(5) 0.097(3) Uani 1 1 d . . .
O7 O 1.1760(15) 0.0418(9) 0.5058(8) 0.164(7) Uani 1 1 d . . .
O8 O 1.0795(10) 0.1351(10) 0.5999(8) 0.121(5) Uani 1 1 d . . .
O9 O 1.0245(8) 0.2799(8) 0.4124(7) 0.076(3) Uani 1 1 d . . .
O10 O 1.0237(8) 0.2102(6) 0.2864(6) 0.053(2) Uani 1 1 d . . .
O11 O 0.8812(9) 0.3199(7) 0.3137(7) 0.094(4) Uani 1 1 d . . .
O12 O 0.8845(9) 0.1775(7) 0.3733(10) 0.114(5) Uani 1 1 d . . .
O13 O 1.2359(10) 0.3124(6) 0.1608(5) 0.101(4) Uani 1 1 d . . .
O14 O 1.1893(15) 0.4626(8) 0.1783(8) 0.156(7) Uani 1 1 d . . .
O15 O 1.2475(12) 0.4169(10) 0.0637(9) 0.156(6) Uani 1 1 d . . .
O16 O 1.0735(8) 0.3737(9) 0.1074(10) 0.131(6) Uani 1 1 d . . .
O024 O 1.2365(7) 0.1921(6) 0.5299(6) 0.068(3) Uiso 1 1 d . . .
Cl1 Cl 1.1864(3) 0.1087(3) 0.56576(18) 0.0554(11) Uani 1 1 d . . .
Cl2 Cl 0.95311(8) 0.2496(3) 0.3465(4) 0.0477(3) Uani 1 1 d . . .
Cl3 Cl 1.1851(3) 0.3904(3) 0.12734(19) 0.0517(10) Uiso 1 1 d . . .
Co Co 1.00883(4) 0.24997(13) 0.8466(2) 0.02349(15) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.040(6) 0.028(6) 0.048(8) 0.005(6) 0.007(6) 0.008(5)
C2 0.058(7) 0.038(7) 0.035(8) -0.002(6) 0.007(6) 0.021(6)
C3 0.047(7) 0.023(6) 0.061(9) 0.006(6) 0.005(7) -0.007(5)
C4 0.006(4) 0.066(8) 0.036(6) 0.006(7) -0.004(4) 0.003(4)
C5 0.033(6) 0.040(7) 0.038(6) -0.006(6) -0.012(5) 0.013(5)
C6 0.034(6) 0.046(7) 0.036(8) 0.002(7) 0.002(6) 0.012(5)
C7 0.059(7) 0.031(7) 0.062(10) -0.001(7) 0.002(6) 0.014(6)
C8 0.052(8) 0.064(9) 0.033(7) 0.009(7) -0.010(6) -0.034(7)
C9 0.012(4) 0.047(7) 0.029(6) -0.009(5) 0.004(4) 0.003(5)
C10 0.049(7) 0.052(8) 0.028(6) 0.012(6) -0.009(5) -0.003(6)
C11 0.027(5) 0.069(9) 0.036(7) 0.021(7) -0.008(5) -0.002(5)
C12 0.056(8) 0.040(7) 0.022(6) 0.008(5) 0.005(5) 0.022(6)
C13 0.043(7) 0.067(9) 0.027(5) 0.012(6) -0.008(5) 0.027(6)
C14 0.065(8) 0.050(8) 0.030(6) 0.000(6) -0.005(6) -0.013(6)
N1 0.022(5) 0.049(6) 0.040(6) -0.007(5) 0.005(4) 0.017(5)
N2 0.012(4) 0.054(6) 0.025(5) -0.003(5) -0.005(4) -0.009(4)
N3 0.028(5) 0.023(5) 0.026(5) 0.003(4) -0.007(4) -0.001(4)
N4 0.021(5) 0.050(6) 0.029(6) 0.011(5) -0.002(4) 0.002(5)
N5 0.042(7) 0.083(9) 0.038(6) 0.013(7) -0.018(5) -0.016(7)
N6 0.030(6) 0.083(8) 0.042(6) 0.001(7) 0.000(5) 0.006(6)
O1 0.028(4) 0.064(6) 0.025(4) 0.014(5) 0.005(3) -0.007(4)
O2 0.011(4) 0.044(5) 0.029(5) 0.013(4) -0.002(3) 0.001(4)
O3 0.027(4) 0.042(5) 0.020(4) 0.000(4) -0.004(4) 0.007(4)
O4 0.015(4) 0.094(8) 0.051(5) -0.002(6) 0.001(4) 0.002(4)
O5 0.113(7) 0.134(8) 0.043(4) 0.033(5) -0.005(5) -0.020(7)
O7 0.296(17) 0.114(9) 0.083(8) -0.045(8) 0.016(10) -0.130(10)
O8 0.111(9) 0.133(9) 0.120(9) -0.004(8) 0.073(7) -0.005(7)
O9 0.026(4) 0.153(9) 0.050(6) -0.009(6) -0.007(4) -0.009(5)
O10 0.045(5) 0.064(4) 0.050(5) -0.027(4) -0.003(4) 0.010(4)
O11 0.064(6) 0.132(9) 0.086(6) -0.020(7) -0.022(6) 0.055(6)
O12 0.055(6) 0.081(7) 0.206(15) -0.011(9) 0.031(8) -0.022(6)
O13 0.167(8) 0.099(5) 0.038(3) -0.002(3) -0.022(4) 0.102(5)
O14 0.303(18) 0.077(7) 0.086(8) -0.034(6) -0.107(10) 0.043(8)
O15 0.146(10) 0.139(10) 0.182(13) 0.034(10) 0.068(11) -0.051(9)
O16 0.037(4) 0.148(10) 0.209(15) 0.078(11) -0.013(7) -0.005(5)
Cl1 0.0656(16) 0.0635(16) 0.0370(11) -0.0047(9) 0.0199(9) -0.0234(11)
Cl2 0.0216(5) 0.0702(7) 0.0514(7) -0.0135(7) 0.001(2) -0.003(2)
Co 0.0139(2) 0.0342(3) 0.0224(3) 0.0026(2) -0.0047(9) 0.0011(9)

#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 C2 1.469(18) . ?
C1 N1 1.488(13) . ?
C2 C3 1.514(18) . ?
C3 N2 1.523(14) . ?
C4 N2 1.478(12) . ?
C4 C5 1.498(7) . ?
C5 N3 1.476(13) . ?
C6 N3 1.439(14) . ?
C6 C7 1.482(18) . ?
C7 C8 1.556(17) . ?
C8 N4 1.473(15) . ?
C9 O2 1.269(13) . ?
C9 O1 1.297(13) . ?
C9 C10 1.507(18) . ?
C10 C11 1.552(16) . ?
C11 N5 1.467(16) . ?
C12 O4 1.171(15) . ?
C12 O3 1.309(14) . ?
C12 C13 1.525(18) . ?
C13 C14 1.480(18) . ?
C14 N6 1.478(15) . ?
N1 Co 1.984(8) . ?
N2 Co 1.988(8) . ?
N3 Co 1.965(8) . ?
N4 Co 1.957(9) . ?
O2 Co 1.956(9) . ?
O3 Co 1.905(9) . ?
O5 Cl1 1.434(10) . ?
O7 Cl1 1.395(11) . ?
O8 Cl1 1.426(11) . ?
O9 Cl2 1.444(12) . ?
O10 Cl2 1.413(10) . ?
O11 Cl2 1.431(10) . ?
O12 Cl2 1.393(11) . ?
O13 Cl3 1.394(8) . ?
O14 Cl3 1.348(10) . ?
O15 Cl3 1.339(13) . ?
O16 Cl3 1.367(10) . ?
O024 Cl1 1.472(10) . ?

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
C2 C1 N1 111.5(11) . . ?
C1 C2 C3 112.1(13) . . ?
N2 C3 C2 111.1(11) . . ?
N2 C4 C5 107.0(10) . . ?
N3 C5 C4 106.5(9) . . ?
N3 C6 C7 112.0(11) . . ?
C6 C7 C8 113.4(13) . . ?
N4 C8 C7 113.0(11) . . ?
O2 C9 O1 122.8(11) . . ?
O2 C9 C10 119.4(9) . . ?
O1 C9 C10 117.8(10) . . ?
C9 C10 C11 112.4(10) . . ?
N5 C11 C10 108.0(10) . . ?
O4 C12 O3 126.4(12) . . ?
O4 C12 C13 121.1(12) . . ?
O3 C12 C13 112.4(11) . . ?
C14 C13 C12 120.4(11) . . ?
C13 C14 N6 116.8(10) . . ?
C1 N1 Co 122.0(7) . . ?
C4 N2 C3 112.7(9) . . ?
C4 N2 Co 108.1(7) . . ?
C3 N2 Co 119.1(7) . . ?
C6 N3 C5 109.2(8) . . ?
C6 N3 Co 121.0(7) . . ?
C5 N3 Co 109.0(6) . . ?
C8 N4 Co 123.1(7) . . ?
C9 O2 Co 128.6(7) . . ?
C12 O3 Co 125.0(8) . . ?
O7 Cl1 O8 113.2(10) . . ?
O7 Cl1 O5 118.4(9) . . ?
O8 Cl1 O5 97.9(8) . . ?
O7 Cl1 O024 108.8(7) . . ?
O8 Cl1 O024 106.7(7) . . ?
O5 Cl1 O024 111.0(6) . . ?
O12 Cl2 O10 104.9(7) . . ?
O12 Cl2 O11 108.6(3) . . ?
O10 Cl2 O11 111.5(8) . . ?
O12 Cl2 O9 108.7(10) . . ?
O10 Cl2 O9 108.5(2) . . ?
O11 Cl2 O9 114.2(7) . . ?
O14 Cl3 O15 104.4(10) . . ?
O14 Cl3 O16 108.9(10) . . ?
O15 Cl3 O16 112.4(10) . . ?
O14 Cl3 O13 111.6(6) . . ?
O15 Cl3 O13 108.4(8) . . ?
O16 Cl3 O13 111.0(7) . . ?
O3 Co N4 93.2(4) . . ?
O3 Co O2 172.71(11) . . ?
N4 Co O2 92.1(4) . . ?
O3 Co N3 86.9(4) . . ?
N4 Co N3 93.2(4) . . ?
O2 Co N3 87.8(4) . . ?
O3 Co N1 93.5(4) . . ?
N4 Co N1 90.08(15) . . ?
O2 Co N1 91.5(4) . . ?
N3 Co N1 176.7(4) . . ?
O3 Co N2 88.5(4) . . ?
N4 Co N2 177.5(4) . . ?
O2 Co N2 86.0(4) . . ?
N3 Co N2 85.14(13) . . ?
N1 Co N2 91.6(4) . . ?