#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:29:41 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179143 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/04/4310404.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_4310404
loop_
_publ_author_name
'Rama Acharyya'
'Falguni Basuli'
'Ren-Zhang Wang'
'Thomas C. W. Mak'
'Samaresh Bhattacharya'
_publ_section_title
;
 Iridium(III) Complexes Formed by O-H and/Or C-H Activation of
 2-(Arylazo)phenols
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              704
_journal_page_last               711
_journal_paper_doi               10.1021/ic034785w
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C49 H39 Cl2 Ir N2 O P2'
_chemical_formula_weight         996.86
_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                 112.239(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.440(2)
_cell_length_b                   20.054(2)
_cell_length_c                   19.425(2)
_cell_measurement_temperature    293(2)
_cell_volume                     9172.9(15)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker P4'
_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  0.1169
_diffrn_reflns_av_sigmaI/netI    0.1667
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            30751
_diffrn_reflns_theta_full        28.04
_diffrn_reflns_theta_max         28.04
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    1.567
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             1984
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.410
_refine_diff_density_min         -1.177
_refine_diff_density_rms         0.206
_refine_ls_extinction_coef       0.00005(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         11073
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.1550
_refine_ls_R_factor_gt           0.0638
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0950P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1666
_refine_ls_wR_factor_ref         0.2052
_reflns_number_gt                5304
_reflns_number_total             11073
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034785wsi20030908_023629.cif
_cod_data_source_block           s101
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        9172.8(17)
_cod_database_code               4310404
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
Ir Ir 0.180959(19) 0.183504(19) 0.19898(2) 0.03761(16) Uani 1 1 d . . .
P2 P 0.18136(12) 0.11844(13) 0.10137(15) 0.0383(6) Uani 1 1 d . . .
Cl1 Cl 0.16456(14) 0.26125(14) 0.28307(15) 0.0561(8) Uani 1 1 d . . .
P1 P 0.21058(13) 0.10667(14) 0.29773(15) 0.0431(7) Uani 1 1 d . . .
Cl2 Cl 0.42530(16) 0.2309(2) 0.3153(2) 0.0970(14) Uani 1 1 d . . .
O1 O 0.0892(3) 0.1704(3) 0.1546(4) 0.0484(19) Uani 1 1 d . . .
N1 N 0.1560(4) 0.2650(4) 0.1328(5) 0.044(2) Uani 1 1 d . . .
N2 N 0.1916(4) 0.3074(4) 0.1298(5) 0.046(2) Uani 1 1 d . . .
C13 C -0.0148(7) 0.3983(8) -0.0221(9) 0.101(6) Uani 1 1 d . . .
C1 C 0.2577(5) 0.2261(5) 0.2150(6) 0.043(3) Uani 1 1 d . . .
C2 C 0.3130(5) 0.2124(6) 0.2566(6) 0.052(3) Uani 1 1 d . . .
H2B H 0.3213 0.1727 0.2834 0.062 Uiso 1 1 calc R . .
C3 C 0.3561(5) 0.2529(6) 0.2614(7) 0.057(3) Uani 1 1 d . . .
C4 C 0.3470(6) 0.3134(6) 0.2219(7) 0.056(3) Uani 1 1 d . . .
H4A H 0.3769 0.3417 0.2256 0.067 Uiso 1 1 calc R . .
C5 C 0.2918(6) 0.3289(5) 0.1775(7) 0.053(3) Uani 1 1 d . . .
H5A H 0.2846 0.3681 0.1499 0.064 Uiso 1 1 calc R . .
C6 C 0.2460(5) 0.2877(5) 0.1726(6) 0.043(3) Uani 1 1 d . . .
C7 C 0.0654(5) 0.2224(6) 0.1131(6) 0.050(3) Uani 1 1 d . . .
C8 C 0.0975(5) 0.2736(5) 0.0986(6) 0.043(3) Uani 1 1 d . . .
C9 C 0.0731(6) 0.3297(6) 0.0555(7) 0.060(3) Uani 1 1 d . . .
H9A H 0.0962 0.3630 0.0487 0.072 Uiso 1 1 calc R . .
C10 C 0.0163(7) 0.3352(7) 0.0238(7) 0.068(4) Uani 1 1 d . . .
C11 C -0.0172(6) 0.2852(9) 0.0353(8) 0.082(5) Uani 1 1 d . . .
H11E H -0.0564 0.2895 0.0136 0.098 Uiso 1 1 calc R . .
C12 C 0.0059(6) 0.2281(7) 0.0785(7) 0.066(4) Uani 1 1 d . . .
H12D H -0.0176 0.1949 0.0841 0.079 Uiso 1 1 calc R . .
C111 C 0.1503(5) 0.0672(5) 0.3123(6) 0.051(3) Uani 1 1 d . . .
C112 C 0.1036(5) 0.1059(7) 0.3086(7) 0.064(4) Uani 1 1 d . . .
H11B H 0.1020 0.1504 0.2945 0.076 Uiso 1 1 calc R . .
C113 C 0.0612(6) 0.0803(8) 0.3250(9) 0.081(4) Uani 1 1 d . . .
H11A H 0.0311 0.1076 0.3229 0.097 Uiso 1 1 calc R . .
C114 C 0.0612(7) 0.0153(9) 0.3445(10) 0.092(5) Uani 1 1 d . . .
H11G H 0.0309 -0.0018 0.3547 0.110 Uiso 1 1 calc R . .
C115 C 0.1049(8) -0.0242(7) 0.3491(8) 0.090(5) Uani 1 1 d . . .
H11F H 0.1045 -0.0687 0.3622 0.108 Uiso 1 1 calc R . .
C116 C 0.1527(6) 0.0010(6) 0.3342(8) 0.070(4) Uani 1 1 d . . .
H11C H 0.1837 -0.0259 0.3390 0.084 Uiso 1 1 calc R . .
C121 C 0.2493(5) 0.1417(6) 0.3923(6) 0.051(3) Uani 1 1 d . . .
C122 C 0.2786(5) 0.2006(6) 0.4046(6) 0.055(3) Uani 1 1 d . . .
H12B H 0.2762 0.2272 0.3643 0.066 Uiso 1 1 calc R . .
C123 C 0.3116(6) 0.2212(7) 0.4755(7) 0.068(4) Uani 1 1 d . . .
H12F H 0.3309 0.2616 0.4824 0.082 Uiso 1 1 calc R . .
C124 C 0.3160(7) 0.1841(10) 0.5338(7) 0.084(5) Uani 1 1 d . . .
H12E H 0.3385 0.1977 0.5817 0.101 Uiso 1 1 calc R . .
C125 C 0.2873(7) 0.1263(9) 0.5219(7) 0.084(5) Uani 1 1 d . . .
H12A H 0.2901 0.0996 0.5623 0.101 Uiso 1 1 calc R . .
C126 C 0.2542(6) 0.1060(8) 0.4524(6) 0.072(4) Uani 1 1 d . . .
H12C H 0.2344 0.0661 0.4465 0.086 Uiso 1 1 calc R . .
C131 C 0.2590(5) 0.0384(5) 0.2980(6) 0.044(3) Uani 1 1 d . . .
C132 C 0.2394(5) -0.0159(5) 0.2500(6) 0.051(3) Uani 1 1 d . . .
H13B H 0.2010 -0.0199 0.2210 0.062 Uiso 1 1 calc R . .
C133 C 0.2774(6) -0.0644(6) 0.2456(7) 0.055(3) Uani 1 1 d . . .
H13C H 0.2638 -0.1004 0.2136 0.066 Uiso 1 1 calc R . .
C134 C 0.3353(7) -0.0598(8) 0.2882(9) 0.081(4) Uani 1 1 d . . .
H13E H 0.3607 -0.0915 0.2845 0.097 Uiso 1 1 calc R . .
C135 C 0.3539(6) -0.0050(7) 0.3373(8) 0.065(4) Uani 1 1 d . . .
H13D H 0.3924 -0.0012 0.3660 0.078 Uiso 1 1 calc R . .
C136 C 0.3178(5) 0.0425(6) 0.3445(7) 0.054(3) Uani 1 1 d . . .
H13A H 0.3313 0.0768 0.3789 0.065 Uiso 1 1 calc R . .
C211 C 0.1391(5) 0.1618(5) 0.0145(6) 0.046(3) Uani 1 1 d . . .
C212 C 0.1634(5) 0.2143(6) -0.0089(6) 0.051(3) Uani 1 1 d . . .
H21E H 0.2012 0.2259 0.0175 0.061 Uiso 1 1 calc R . .
C213 C 0.1313(7) 0.2493(7) -0.0716(7) 0.068(4) Uani 1 1 d . . .
H21D H 0.1470 0.2845 -0.0885 0.081 Uiso 1 1 calc R . .
C214 C 0.0749(7) 0.2311(9) -0.1093(7) 0.077(4) Uani 1 1 d . . .
H21A H 0.0530 0.2546 -0.1518 0.092 Uiso 1 1 calc R . .
C215 C 0.0517(6) 0.1815(7) -0.0864(8) 0.068(4) Uani 1 1 d . . .
H21B H 0.0137 0.1710 -0.1126 0.081 Uiso 1 1 calc R . .
C216 C 0.0827(5) 0.1449(6) -0.0244(7) 0.056(3) Uani 1 1 d . . .
H21C H 0.0661 0.1096 -0.0088 0.068 Uiso 1 1 calc R . .
C221 C 0.1466(5) 0.0367(5) 0.0904(6) 0.043(3) Uani 1 1 d . . .
C222 C 0.1630(6) -0.0151(6) 0.0556(7) 0.063(4) Uani 1 1 d . . .
H22C H 0.1917 -0.0080 0.0378 0.075 Uiso 1 1 calc R . .
C223 C 0.1376(8) -0.0769(7) 0.0469(10) 0.096(6) Uani 1 1 d . . .
H22A H 0.1484 -0.1105 0.0220 0.115 Uiso 1 1 calc R . .
C224 C 0.0971(7) -0.0888(7) 0.0743(11) 0.104(6) Uani 1 1 d . . .
H22B H 0.0810 -0.1309 0.0703 0.125 Uiso 1 1 calc R . .
C225 C 0.0794(6) -0.0359(7) 0.1094(9) 0.078(4) Uani 1 1 d . . .
H22D H 0.0502 -0.0430 0.1263 0.093 Uiso 1 1 calc R . .
C226 C 0.1049(5) 0.0250(6) 0.1187(7) 0.057(3) Uani 1 1 d . . .
H22E H 0.0944 0.0586 0.1439 0.069 Uiso 1 1 calc R . .
C231 C 0.2471(5) 0.0996(5) 0.0879(6) 0.043(3) Uani 1 1 d . . .
C232 C 0.2944(5) 0.0812(6) 0.1490(7) 0.055(3) Uani 1 1 d . . .
H23A H 0.2941 0.0827 0.1966 0.065 Uiso 1 1 calc R . .
C233 C 0.3430(6) 0.0604(7) 0.1372(9) 0.077(4) Uani 1 1 d . . .
H23C H 0.3752 0.0483 0.1779 0.093 Uiso 1 1 calc R . .
C234 C 0.3447(6) 0.0572(7) 0.0655(8) 0.071(4) Uani 1 1 d . . .
H23D H 0.3772 0.0430 0.0589 0.085 Uiso 1 1 calc R . .
C235 C 0.2985(6) 0.0750(7) 0.0073(7) 0.064(4) Uani 1 1 d . . .
H23E H 0.2991 0.0737 -0.0402 0.077 Uiso 1 1 calc R . .
C236 C 0.2504(5) 0.0950(6) 0.0164(6) 0.058(3) Uani 1 1 d . . .
H23B H 0.2186 0.1061 -0.0254 0.070 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'
O O 0.0106 0.0060 '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'
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
N1 Ir C1 79.1(4) . . ?
N1 Ir O1 79.3(3) . . ?
C1 Ir O1 158.4(3) . . ?
N1 Ir P2 91.9(2) . . ?
C1 Ir P2 93.5(3) . . ?
O1 Ir P2 86.8(2) . . ?
N1 Ir P1 166.5(2) . . ?
C1 Ir P1 99.0(3) . . ?
O1 Ir P1 102.0(2) . . ?
P2 Ir P1 101.56(10) . . ?
N1 Ir Cl1 79.3(2) . . ?
C1 Ir Cl1 91.6(3) . . ?
O1 Ir Cl1 85.0(2) . . ?
P2 Ir Cl1 168.88(10) . . ?
P1 Ir Cl1 87.43(10) . . ?
C231 P2 C221 103.0(5) . . ?
C231 P2 C211 102.4(5) . . ?
C221 P2 C211 103.1(5) . . ?
C231 P2 Ir 121.6(4) . . ?
C221 P2 Ir 116.7(4) . . ?
C211 P2 Ir 107.7(3) . . ?
C111 P1 C131 105.9(5) . . ?
C111 P1 C121 99.9(5) . . ?
C131 P1 C121 100.1(5) . . ?
C111 P1 Ir 112.3(4) . . ?
C131 P1 Ir 119.8(3) . . ?
C121 P1 Ir 116.4(4) . . ?
C7 O1 Ir 108.8(7) . . ?
N2 N1 C8 123.5(9) . . ?
N2 N1 Ir 121.0(8) . . ?
C8 N1 Ir 115.1(7) . . ?
N1 N2 C6 110.8(9) . . ?
C2 C1 C6 116.9(10) . . ?
C2 C1 Ir 136.0(8) . . ?
C6 C1 Ir 106.9(8) . . ?
C3 C2 C1 123.7(12) . . ?
C2 C3 C4 121.5(12) . . ?
C2 C3 Cl2 120.4(10) . . ?
C4 C3 Cl2 118.1(10) . . ?
C5 C4 C3 117.0(11) . . ?
C4 C5 C6 122.3(11) . . ?
N2 C6 C5 119.6(10) . . ?
N2 C6 C1 121.9(10) . . ?
C5 C6 C1 118.5(11) . . ?
O1 C7 C8 122.3(11) . . ?
O1 C7 C12 121.1(12) . . ?
C8 C7 C12 116.5(11) . . ?
N1 C8 C9 122.5(11) . . ?
N1 C8 C7 114.3(10) . . ?
C9 C8 C7 123.2(11) . . ?
C10 C9 C8 119.7(13) . . ?
C9 C10 C11 119.1(13) . . ?
C9 C10 C13 123.2(14) . . ?
C11 C10 C13 117.7(14) . . ?
C10 C11 C12 122.7(13) . . ?
C7 C12 C11 118.7(13) . . ?
C116 C111 C112 118.9(11) . . ?
C116 C111 P1 121.1(10) . . ?
C112 C111 P1 119.6(9) . . ?
C113 C112 C111 121.5(13) . . ?
C112 C113 C114 121.3(14) . . ?
C115 C114 C113 119.8(14) . . ?
C114 C115 C116 121.4(13) . . ?
C111 C116 C115 117.0(13) . . ?
C126 C121 C122 116.5(11) . . ?
C126 C121 P1 120.0(10) . . ?
C122 C121 P1 123.2(9) . . ?
C121 C122 C123 121.2(12) . . ?
C124 C123 C122 120.7(14) . . ?
C123 C124 C125 118.2(13) . . ?
C124 C125 C126 121.6(14) . . ?
C121 C126 C125 121.9(15) . . ?
C132 C131 C136 119.3(10) . . ?
C132 C131 P1 120.7(9) . . ?
C136 C131 P1 120.0(9) . . ?
C133 C132 C131 120.3(12) . . ?
C134 C133 C132 121.2(12) . . ?
C133 C134 C135 117.5(13) . . ?
C136 C135 C134 123.0(13) . . ?
C135 C136 C131 118.6(12) . . ?
C212 C211 C216 120.4(11) . . ?
C212 C211 P2 118.8(9) . . ?
C216 C211 P2 120.6(9) . . ?
C213 C212 C211 119.3(12) . . ?
C212 C213 C214 118.9(13) . . ?
C215 C214 C213 121.7(14) . . ?
C214 C215 C216 121.2(14) . . ?
C215 C216 C211 118.6(13) . . ?
C222 C221 C226 118.9(10) . . ?
C222 C221 P2 120.4(9) . . ?
C226 C221 P2 120.7(8) . . ?
C223 C222 C221 121.3(12) . . ?
C224 C223 C222 120.2(14) . . ?
C223 C224 C225 119.1(13) . . ?
C226 C225 C224 120.7(13) . . ?
C225 C226 C221 119.7(12) . . ?
C232 C231 C236 117.8(11) . . ?
C232 C231 P2 118.7(9) . . ?
C236 C231 P2 123.1(9) . . ?
C231 C232 C233 118.3(12) . . ?
C232 C233 C234 122.1(13) . . ?
C235 C234 C233 118.6(12) . . ?
C234 C235 C236 121.1(12) . . ?
C235 C236 C231 122.1(11) . . ?
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
Ir N1 2.026(8) . ?
Ir C1 2.044(11) . ?
Ir O1 2.177(8) . ?
Ir P2 2.305(3) . ?
Ir P1 2.351(3) . ?
Ir Cl1 2.406(3) . ?
P2 C231 1.828(11) . ?
P2 C221 1.836(11) . ?
P2 C211 1.840(11) . ?
P1 C111 1.839(12) . ?
P1 C131 1.840(11) . ?
P1 C121 1.863(11) . ?
Cl2 C3 1.730(13) . ?
O1 C7 1.317(13) . ?
N1 N2 1.259(11) . ?
N1 C8 1.392(13) . ?
N2 C6 1.375(14) . ?
C13 C10 1.577(18) . ?
C1 C2 1.359(15) . ?
C1 C6 1.452(14) . ?
C2 C3 1.341(15) . ?
C3 C4 1.408(16) . ?
C4 C5 1.376(17) . ?
C5 C6 1.400(15) . ?
C7 C8 1.404(16) . ?
C7 C12 1.409(16) . ?
C8 C9 1.400(15) . ?
C9 C10 1.346(18) . ?
C10 C11 1.39(2) . ?
C11 C12 1.410(19) . ?
C111 C116 1.387(15) . ?
C111 C112 1.399(16) . ?
C112 C113 1.337(17) . ?
C113 C114 1.36(2) . ?
C114 C115 1.34(2) . ?
C115 C116 1.444(18) . ?
C121 C126 1.335(15) . ?
C121 C122 1.369(16) . ?
C122 C123 1.377(16) . ?
C123 C124 1.324(19) . ?
C124 C125 1.34(2) . ?
C125 C126 1.354(18) . ?
C131 C132 1.397(15) . ?
C131 C136 1.429(16) . ?
C132 C133 1.396(15) . ?
C133 C134 1.391(18) . ?
C134 C135 1.414(19) . ?
C135 C136 1.366(16) . ?
C211 C212 1.384(16) . ?
C211 C216 1.387(16) . ?
C212 C213 1.375(16) . ?
C213 C214 1.389(19) . ?
C214 C215 1.317(19) . ?
C215 C216 1.376(17) . ?
C221 C222 1.386(15) . ?
C221 C226 1.388(15) . ?
C222 C223 1.379(17) . ?
C223 C224 1.35(2) . ?
C224 C225 1.42(2) . ?
C225 C226 1.363(16) . ?
C231 C232 1.382(15) . ?
C231 C236 1.426(15) . ?
C232 C233 1.403(16) . ?
C233 C234 1.411(18) . ?
C234 C235 1.334(17) . ?
C235 C236 1.361(16) . ?
