#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/74/4307460.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_4307460
loop_
_publ_author_name
'Claudio Pettinari'
'Riccardo Pettinari'
'Fabio Marchetti'
'Alceo Macchioni'
'Daniele Zuccaccia'
'Brian W. Skelton'
'Allan H. White'
_publ_contact_author_address
;
   Department of Chemistry
   University of Western Australia
   35 Stirling Highway
   Crawley
   Western Australia 6009
   Australia
;
_publ_contact_author_email       bws@crystal.uwa.edu.au
_publ_contact_author_fax         (+61)_08_6488_1118
_publ_contact_author_name        'Skelton, B. W.'
_publ_contact_author_phone       (+61)_08_6488_7107
_publ_section_title
;
Synthesis, Reactivity, Spectroscopic Characterization, X-ray Structures,
PGSE, and NOE NMR Studies of (η5-C5Me5)-Rhodium and -Iridium Derivatives
Containing Bis(pyrazolyl)alkane Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              896
_journal_page_last               906
_journal_paper_doi               10.1021/ic061928g
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C21 H31 Cl Ir N4, C10 H15 Cl3 Ir'
_chemical_formula_sum            'C31 H46 Cl4 Ir2 N4'
_chemical_formula_weight         1000.92
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2006-09-17T14:25:42-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 110.073(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6379(8)
_cell_length_b                   14.1369(9)
_cell_length_c                   14.047(2)
_cell_measurement_reflns_used    5014
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.855
_cell_measurement_theta_min      2.668
_cell_volume                     1797.6(3)
_computing_cell_refinement
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
        (compiled Aug 28 2006,13:05:05)
;
_computing_data_collection
;
        CrysAlis CCD, Oxford Diffraction Ltd.,
        Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
        (compiled Aug 28 2006,13:05:05)
;
_computing_data_reduction
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
        (compiled Aug 28 2006,13:05:05)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0009
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type
;
 Oxford Diffraction Xcalibur diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0602890921
_diffrn_orient_matrix_UB_12      -0.0199402957
_diffrn_orient_matrix_UB_13      -0.0111731845
_diffrn_orient_matrix_UB_21      0.0333733001
_diffrn_orient_matrix_UB_22      0.0454107741
_diffrn_orient_matrix_UB_23      0.004586811
_diffrn_orient_matrix_UB_31      0.0376744923
_diffrn_orient_matrix_UB_32      -0.0079908801
_diffrn_orient_matrix_UB_33      0.0523510281
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0711
_diffrn_reflns_av_unetI/netI     0.0577
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9406
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    7.718
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.37422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
        (compiled Aug 28 2006,13:05:05)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.055
_refine_diff_density_max         5.437
_refine_diff_density_min         -2.749
_refine_diff_density_rms         0.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     163
_refine_ls_number_reflns         3265
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.1024
_refine_ls_R_factor_gt           0.0843
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1091P)²+62.0866P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.21
_refine_ls_wR_factor_ref         0.2202
_reflns_number_gt                2635
_reflns_number_total             3265
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic061928gsi20061205_040617_5.cif
_cod_data_source_block           cpirme
_cod_original_sg_symbol_Hall     -P_2yb
_cod_database_code               4307460
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
Ir1 Ir 0.38650(9) 0.25 0.32267(7) 0.0274(3) Uani 1 2 d S . .
Ir2 Ir 0.23429(10) 0.25 0.77657(7) 0.0334(3) Uani 1 2 d S . .
Cl1 Cl 0.2455(8) 0.25 0.1473(5) 0.060(2) Uani 1 2 d S . .
Cl21 Cl -0.0172(7) 0.25 0.6574(5) 0.0427(16) Uani 1 2 d S . .
Cl22 Cl 0.2915(5) 0.1292(3) 0.6729(3) 0.0392(10) Uani 1 1 d . . .
N11 N 0.1479(14) 0.3326(10) 0.3940(10) 0.029(3) Uani 1 1 d . . .
N12 N 0.2359(15) 0.3518(10) 0.3381(10) 0.033(3) Uani 1 1 d . . .
C13 C 0.196(2) 0.4362(13) 0.2960(15) 0.043(5) Uani 1 1 d . . .
C131 C 0.263(3) 0.485(2) 0.2266(17) 0.071(8) Uani 1 1 d . . .
H13A H 0.3466 0.4475 0.2224 0.106 Uiso 1 1 calc R . .
H13B H 0.2987 0.548 0.2536 0.106 Uiso 1 1 calc R . .
H13C H 0.189 0.4916 0.1588 0.106 Uiso 1 1 calc R . .
C14 C 0.080(2) 0.4709(14) 0.3247(14) 0.041(4) Uani 1 1 d . . .
H14 H 0.0301 0.5295 0.3045 0.05 Uiso 1 1 calc R . .
C15 C 0.0508(19) 0.4056(13) 0.3872(13) 0.036(4) Uani 1 1 d . . .
C151 C -0.0588(18) 0.4006(13) 0.4390(13) 0.035(4) Uani 1 1 d . . .
H15A H -0.1223 0.3452 0.4147 0.052 Uiso 1 1 calc R . .
H15B H -0.1195 0.4581 0.4243 0.052 Uiso 1 1 calc R . .
H15C H -0.0076 0.3953 0.5123 0.052 Uiso 1 1 calc R . .
C10 C 0.176(2) 0.25 0.4547(16) 0.023(5) Uani 1 2 d S . .
H101 H 0.1128 0.25 0.4973 0.028 Uiso 1 2 calc SR . .
H102 H 0.2805 0.25 0.5003 0.028 Uiso 1 2 calc SR . .
C101 C 0.576(3) 0.25 0.4597(17) 0.046(7) Uiso 1 2 d SD . .
C102 C 0.584(2) 0.3317(14) 0.4014(15) 0.045(5) Uiso 1 1 d . . .
C103 C 0.589(2) 0.2998(13) 0.3088(14) 0.041(4) Uiso 1 1 d . . .
C106 C 0.585(4) 0.25 0.5696(18) 0.093(13) Uiso 1 2 d SD . .
C107 C 0.581(4) 0.433(2) 0.437(2) 0.090(9) Uiso 1 1 d . . .
H10D H 0.672 0.4461 0.4934 0.136 Uiso 1 1 calc R . .
H10E H 0.4956 0.442 0.4584 0.136 Uiso 1 1 calc R . .
H10F H 0.5737 0.4763 0.3806 0.136 Uiso 1 1 calc R . .
C108 C 0.605(3) 0.3610(16) 0.2232(16) 0.056(5) Uiso 1 1 d . . .
H10G H 0.6226 0.4269 0.2461 0.084 Uiso 1 1 calc R . .
H10H H 0.5135 0.3574 0.1643 0.084 Uiso 1 1 calc R . .
H10I H 0.6878 0.3381 0.2045 0.084 Uiso 1 1 calc R . .
C201 C 0.164(3) 0.25 0.903(2) 0.055(8) Uiso 1 2 d SD . .
C202 C 0.251(2) 0.3321(14) 0.9092(15) 0.046(5) Uiso 1 1 d . . .
C203 C 0.397(2) 0.2991(14) 0.9140(14) 0.042(4) Uiso 1 1 d . . .
C206 C 0.004(3) 0.25 0.897(2) 0.058(8) Uiso 1 2 d SD . .
C207 C 0.207(3) 0.4321(17) 0.9122(18) 0.063(6) Uiso 1 1 d . . .
H20D H 0.1001 0.4384 0.8758 0.095 Uiso 1 1 calc R . .
H20E H 0.2605 0.4723 0.8798 0.095 Uiso 1 1 calc R . .
H20F H 0.2294 0.4519 0.9828 0.095 Uiso 1 1 calc R . .
C208 C 0.523(3) 0.3616(17) 0.9204(17) 0.060(6) Uiso 1 1 d . . .
H20G H 0.5783 0.3762 0.9916 0.089 Uiso 1 1 calc R . .
H20H H 0.4863 0.4204 0.8834 0.089 Uiso 1 1 calc R . .
H20I H 0.5886 0.3297 0.8904 0.089 Uiso 1 1 calc R . .
H10A H 0.689 0.25 0.614 0.089 Uiso 1 2 d SD . .
H10B H 0.536 0.19341 0.583 0.089 Uiso 1 1 d D . .
H20A H -0.061 0.25 0.826 0.089 Uiso 1 2 d SD . .
H20B H -0.016 0.19341 0.931 0.089 Uiso 1 1 d 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 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 '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
N12 Ir1 N12 86.2(8) 4_565 . ?
N12 Ir1 C103 156.0(6) 4_565 . ?
N12 Ir1 C103 117.7(6) . . ?
N12 Ir1 C103 117.7(6) 4_565 4_565 ?
N12 Ir1 C103 156.0(6) . 4_565 ?
C103 Ir1 C103 38.3(10) . 4_565 ?
N12 Ir1 C101 108.1(6) 4_565 . ?
N12 Ir1 C101 108.1(6) . . ?
C103 Ir1 C101 64.1(8) . . ?
C103 Ir1 C101 64.1(8) 4_565 . ?
N12 Ir1 C102 145.4(6) 4_565 . ?
N12 Ir1 C102 95.6(7) . . ?
C103 Ir1 C102 37.7(7) . . ?
C103 Ir1 C102 63.7(7) 4_565 . ?
C101 Ir1 C102 38.7(6) . . ?
N12 Ir1 C102 95.6(7) 4_565 4_565 ?
N12 Ir1 C102 145.4(6) . 4_565 ?
C103 Ir1 C102 63.7(7) . 4_565 ?
C103 Ir1 C102 37.7(7) 4_565 4_565 ?
C101 Ir1 C102 38.7(6) . 4_565 ?
C102 Ir1 C102 64.2(11) . 4_565 ?
N12 Ir1 Cl1 86.4(4) 4_565 . ?
N12 Ir1 Cl1 86.4(4) . . ?
C103 Ir1 Cl1 96.9(5) . . ?
C103 Ir1 Cl1 96.9(5) 4_565 . ?
C101 Ir1 Cl1 159.8(7) . . ?
C102 Ir1 Cl1 128.2(5) . . ?
C102 Ir1 Cl1 128.2(5) 4_565 . ?
C201 Ir2 C203 65.8(8) . . ?
C201 Ir2 C203 65.8(8) . 4_565 ?
C203 Ir2 C203 37.8(10) . 4_565 ?
C201 Ir2 C202 38.9(6) . . ?
C203 Ir2 C202 39.8(7) . . ?
C203 Ir2 C202 65.2(7) 4_565 . ?
C201 Ir2 C202 38.9(6) . 4_565 ?
C203 Ir2 C202 65.2(7) . 4_565 ?
C203 Ir2 C202 39.8(7) 4_565 4_565 ?
C202 Ir2 C202 65.3(11) . 4_565 ?
C201 Ir2 Cl22 135.28(11) . . ?
C203 Ir2 Cl22 121.4(5) . . ?
C203 Ir2 Cl22 93.7(5) 4_565 . ?
C202 Ir2 Cl22 158.9(6) . . ?
C202 Ir2 Cl22 100.0(5) 4_565 . ?
C201 Ir2 Cl22 135.28(11) . 4_565 ?
C203 Ir2 Cl22 93.7(5) . 4_565 ?
C203 Ir2 Cl22 121.4(5) 4_565 4_565 ?
C202 Ir2 Cl22 100.0(5) . 4_565 ?
C202 Ir2 Cl22 158.9(6) 4_565 4_565 ?
Cl22 Ir2 Cl22 89.4(2) . 4_565 ?
C201 Ir2 Cl21 92.6(7) . . ?
C203 Ir2 Cl21 150.6(5) . . ?
C203 Ir2 Cl21 150.6(5) 4_565 . ?
C202 Ir2 Cl21 111.0(6) . . ?
C202 Ir2 Cl21 111.0(6) 4_565 . ?
Cl22 Ir2 Cl21 87.99(15) . . ?
Cl22 Ir2 Cl21 87.99(15) 4_565 . ?
N12 N11 C15 110.7(13) . . ?
N12 N11 C10 118.7(14) . . ?
C15 N11 C10 130.2(15) . . ?
C13 N12 N11 106.8(14) . . ?
C13 N12 Ir1 132.4(12) . . ?
N11 N12 Ir1 120.6(11) . . ?
N12 C13 C14 109.1(16) . . ?
N12 C13 C131 124.8(17) . . ?
C14 C13 C131 126.1(17) . . ?
C13 C131 H13A 109.5 . . ?
C13 C131 H13B 109.5 . . ?
H13A C131 H13B 109.5 . . ?
C13 C131 H13C 109.5 . . ?
H13A C131 H13C 109.5 . . ?
H13B C131 H13C 109.5 . . ?
C15 C14 C13 107.9(16) . . ?
C15 C14 H14 126.1 . . ?
C13 C14 H14 126.1 . . ?
C14 C15 N11 105.5(15) . . ?
C14 C15 C151 133.4(17) . . ?
N11 C15 C151 121.1(16) . . ?
C15 C151 H15A 109.5 . . ?
C15 C151 H15B 109.5 . . ?
H15A C151 H15B 109.5 . . ?
C15 C151 H15C 109.5 . . ?
H15A C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
N11 C10 N11 111.1(18) . 4_565 ?
N11 C10 H101 109.4 . . ?
N11 C10 H101 109.4 4_565 . ?
N11 C10 H102 109.4 . . ?
N11 C10 H102 109.4 4_565 . ?
H101 C10 H102 108 . . ?
C102 C101 C102 107(2) . 4_565 ?
C102 C101 C106 125.9(11) . . ?
C102 C101 C106 125.9(11) 4_565 . ?
C102 C101 Ir1 71.5(13) . . ?
C102 C101 Ir1 71.5(13) 4_565 . ?
C106 C101 Ir1 130(2) . . ?
C103 C102 C101 107.5(17) . . ?
C103 C102 C107 128.2(19) . . ?
C101 C102 C107 124.4(19) . . ?
C103 C102 Ir1 70.2(11) . . ?
C101 C102 Ir1 69.8(13) . . ?
C107 C102 Ir1 123.9(18) . . ?
C102 C103 C103 108.8(11) . 4_565 ?
C102 C103 C108 126.6(18) . . ?
C103 C103 C108 124.5(11) 4_565 . ?
C102 C103 Ir1 72.1(12) . . ?
C103 C103 Ir1 70.9(5) 4_565 . ?
C108 C103 Ir1 126.4(14) . . ?
C101 C106 H10A 109.5 . . ?
C101 C106 H10B 109.5 . . ?
H10A C106 H10B 109.4 . . ?
C102 C107 H10D 109.5 . . ?
C102 C107 H10E 109.5 . . ?
H10D C107 H10E 109.5 . . ?
C102 C107 H10F 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
C103 C108 H10G 109.5 . . ?
C103 C108 H10H 109.5 . . ?
H10G C108 H10H 109.5 . . ?
C103 C108 H10I 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C202 C201 C202 110(2) . 4_565 ?
C202 C201 C206 125.2(11) . . ?
C202 C201 C206 125.2(11) 4_565 . ?
C202 C201 Ir2 72.1(13) . . ?
C202 C201 Ir2 72.1(13) 4_565 . ?
C206 C201 Ir2 125(2) . . ?
C201 C202 C203 106.6(17) . . ?
C201 C202 C207 127.4(19) . . ?
C203 C202 C207 126.0(19) . . ?
C201 C202 Ir2 69.0(14) . . ?
C203 C202 Ir2 69.7(11) . . ?
C207 C202 Ir2 127.0(15) . . ?
C203 C203 C202 108.6(11) 4_565 . ?
C203 C203 C208 126.7(12) 4_565 . ?
C202 C203 C208 124.7(18) . . ?
C203 C203 Ir2 71.1(5) 4_565 . ?
C202 C203 Ir2 70.5(11) . . ?
C208 C203 Ir2 125.5(14) . . ?
C201 C206 H20A 109.5 . . ?
C201 C206 H20B 109.5 . . ?
H20A C206 H20B 109.4 . . ?
C202 C207 H20D 109.5 . . ?
C202 C207 H20E 109.5 . . ?
H20D C207 H20E 109.5 . . ?
C202 C207 H20F 109.5 . . ?
H20D C207 H20F 109.5 . . ?
H20E C207 H20F 109.5 . . ?
C203 C208 H20G 109.5 . . ?
C203 C208 H20H 109.5 . . ?
H20G C208 H20H 109.5 . . ?
C203 C208 H20I 109.5 . . ?
H20G C208 H20I 109.5 . . ?
H20H C208 H20I 109.5 . . ?
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
Ir1 N12 2.107(14) 4_565 ?
Ir1 N12 2.107(14) . ?
Ir1 C103 2.148(19) . ?
Ir1 C103 2.148(19) 4_565 ?
Ir1 C101 2.15(3) . ?
Ir1 C102 2.17(2) . ?
Ir1 C102 2.17(2) 4_565 ?
Ir1 Cl1 2.370(7) . ?
Ir2 C201 2.11(3) . ?
Ir2 C203 2.144(19) . ?
Ir2 C203 2.144(19) 4_565 ?
Ir2 C202 2.15(2) . ?
Ir2 C202 2.15(2) 4_565 ?
Ir2 Cl22 2.427(4) . ?
Ir2 Cl22 2.427(4) 4_565 ?
Ir2 Cl21 2.427(6) . ?
N11 N12 1.366(18) . ?
N11 C15 1.37(2) . ?
N11 C10 1.417(17) . ?
N12 C13 1.33(2) . ?
C13 C14 1.40(2) . ?
C13 C131 1.52(3) . ?
C131 H13A 0.98 . ?
C131 H13B 0.98 . ?
C131 H13C 0.98 . ?
C14 C15 1.37(2) . ?
C14 H14 0.95 . ?
C15 C151 1.48(2) . ?
C151 H15A 0.98 . ?
C151 H15B 0.98 . ?
C151 H15C 0.98 . ?
C10 N11 1.417(17) 4_565 ?
C10 H101 0.99 . ?
C10 H102 0.99 . ?
C101 C102 1.43(2) . ?
C101 C102 1.43(2) 4_565 ?
C101 C106 1.52(3) . ?
C102 C103 1.40(3) . ?
C102 C107 1.52(3) . ?
C103 C103 1.41(4) 4_565 ?
C103 C108 1.53(3) . ?
C106 H10A 0.98 . ?
C106 H10B 0.98 . ?
C107 H10D 0.98 . ?
C107 H10E 0.98 . ?
C107 H10F 0.98 . ?
C108 H10G 0.98 . ?
C108 H10H 0.98 . ?
C108 H10I 0.98 . ?
C201 C202 1.42(2) . ?
C201 C202 1.42(2) 4_565 ?
C201 C206 1.52(4) . ?
C202 C203 1.46(3) . ?
C202 C207 1.48(3) . ?
C203 C203 1.39(4) 4_565 ?
C203 C208 1.48(3) . ?
C206 H20A 0.98 . ?
C206 H20B 0.98 . ?
C207 H20D 0.98 . ?
C207 H20E 0.98 . ?
C207 H20F 0.98 . ?
C208 H20G 0.98 . ?
C208 H20H 0.98 . ?
C208 H20I 0.98 . ?
