#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006580.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2006580
loop_
_publ_author_name
'Johannes, H.-H.'
'Grahn, W.'
'Dix, I.'
'Jones, P. G.'
_publ_section_title
;
 5-Iodo-2-[iodo(5-iodo-1,3,3-trimethyl-2-indolinylidene)methyl]-1,3,3-trimethyl-3<i>H</i>-indolium
 Perchlorate: a Highly Overcrowded Cyanine Dye
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1432
_journal_page_last               1434
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         'C23 H24 I3 N2 1+, Cl O4 1-'
_chemical_formula_sum            'C23 H24 Cl I3 N2 O4'
_chemical_formula_weight         808.59
_chemical_name_systematic
;
 10-Iodo-bis(5-iodo-1,3,3-trimethylindoline-2yl)monomethinium Perchlorate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 106.30(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.448(2)
_cell_length_b                   12.098(2)
_cell_length_c                   19.305(3)
_cell_measurement_reflns_used    52
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      11.5
_cell_measurement_theta_min      10
_cell_volume                     2566.2(8)
_computing_cell_refinement       DIF4
_computing_data_collection       'DIF4 (Stoe & Cie, 1992a)'
_computing_data_reduction        'REDU4 (Stoe & Cie, 1992b)'
_computing_molecular_graphics    'XP (Siemens, 1994b)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_measurement_device       'Stoe STADI-4'
_diffrn_measurement_method       \w/\q-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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0327
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4672
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.790
_exptl_absorpt_correction_T_max  0.895
_exptl_absorpt_correction_T_min  0.728
_exptl_absorpt_correction_type   'psi-scans (XEMP; Siemens, 1994a)'
_exptl_crystal_colour
'dark red in transmitted light, metallic green in reflected light'
_exptl_crystal_density_diffrn    2.093
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.586
_refine_diff_density_min         -0.554
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.076
_refine_ls_goodness_of_fit_obs   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         4519
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_restrained_S_obs      1.081
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_obs          0.0286
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w = 1/[\s^2^(Fo^2^)+(0.0179P)^2^+5.0588P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all         0.0599
_refine_ls_wR_factor_obs         0.0558
_reflns_number_observed          3933
_reflns_number_total             4519
_reflns_observed_criterion       >2sigma(I)
_[local]_cod_data_source_file    fg1330.cif
_[local]_cod_data_source_block   chris
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (9
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (7 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2566.4(7)
_cod_database_code               2006580
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
I1 0.03118(18) 0.02225(17) 0.02336(17) 0.00419(14) 0.00768(13) -0.00327(13)
I2 0.02809(17) 0.02717(17) 0.01905(16) -0.00093(14) 0.00772(13) 0.00364(13)
I3 0.02666(17) 0.02723(17) 0.01974(16) 0.00133(14) 0.00873(13) -0.00035(13)
N1 0.020(2) 0.019(2) 0.0154(19) 0.0017(16) 0.0066(16) -0.0012(16)
N1' 0.019(2) 0.018(2) 0.019(2) -0.0028(16) 0.0059(16) 0.0000(16)
C2 0.016(2) 0.016(2) 0.017(2) -0.0045(18) 0.0040(19) -0.0051(18)
C2' 0.015(2) 0.017(2) 0.025(2) 0.0024(18) 0.0087(19) 0.0013(19)
C3 0.022(2) 0.026(3) 0.016(2) 0.001(2) 0.010(2) 0.003(2)
C3' 0.021(2) 0.016(2) 0.022(2) 0.0006(19) 0.005(2) 0.0020(19)
C4 0.027(3) 0.025(3) 0.014(2) -0.007(2) 0.009(2) -0.002(2)
C4' 0.023(2) 0.011(2) 0.030(3) -0.0005(19) 0.010(2) 0.001(2)
C5 0.018(2) 0.024(2) 0.016(2) -0.002(2) 0.0045(19) 0.0014(19)
C5' 0.021(2) 0.029(3) 0.017(2) 0.006(2) 0.004(2) 0.003(2)
C6 0.019(2) 0.021(2) 0.025(3) -0.004(2) 0.006(2) 0.000(2)
C6' 0.023(2) 0.016(2) 0.027(3) -0.001(2) 0.006(2) -0.007(2)
C7 0.027(3) 0.022(3) 0.016(2) -0.001(2) 0.006(2) -0.0017(19)
C7' 0.021(2) 0.020(2) 0.028(3) 0.002(2) 0.007(2) 0.001(2)
C8 0.020(2) 0.020(2) 0.016(2) -0.004(2) 0.0035(19) -0.0012(19)
C8' 0.014(2) 0.022(2) 0.017(2) 0.0010(19) 0.0044(18) 0.0033(19)
C9 0.018(2) 0.023(3) 0.021(2) -0.008(2) 0.0064(19) -0.006(2)
C9' 0.016(2) 0.024(2) 0.018(2) 0.0031(19) 0.0054(19) -0.0014(19)
C10 0.021(2) 0.019(2) 0.024(2) -0.001(2) 0.010(2) -0.006(2)
C11 0.026(3) 0.028(3) 0.023(2) 0.004(2) 0.014(2) 0.001(2)
C11' 0.028(3) 0.027(3) 0.023(3) -0.013(2) 0.009(2) 0.000(2)
C12 0.043(3) 0.027(3) 0.018(3) 0.002(2) 0.007(2) -0.005(2)
C12' 0.032(3) 0.017(2) 0.026(3) 0.008(2) 0.009(2) -0.001(2)
C13 0.022(3) 0.040(3) 0.030(3) 0.003(2) 0.013(2) 0.006(2)
C13' 0.031(3) 0.025(3) 0.026(3) -0.005(2) 0.011(2) -0.003(2)
Cl 0.0467(8) 0.0270(7) 0.0270(7) 0.0055(6) 0.0141(6) 0.0027(5)
O1 0.086(4) 0.071(3) 0.044(3) 0.025(3) 0.001(3) 0.024(2)
O2 0.100(4) 0.092(4) 0.053(3) -0.037(3) 0.037(3) 0.001(3)
O3 0.118(5) 0.106(5) 0.069(4) 0.077(4) 0.043(3) 0.021(3)
O4 0.109(5) 0.059(3) 0.099(4) -0.033(3) 0.012(4) -0.024(3)
loop_
_atom_site_label
_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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
I1 0.70025(3) 0.71656(3) 0.366676(17) 0.02559(9) Uani d . 1 I
I2 0.99492(3) 0.10332(3) 0.638937(16) 0.02455(9) Uani d . 1 I
I3 0.68285(3) 0.48954(3) -0.092631(16) 0.02409(9) Uani d . 1 I
N1 0.8497(3) 0.3937(3) 0.36337(19) 0.0180(8) Uani d . 1 N
N1' 0.6535(3) 0.4459(3) 0.22268(19) 0.0186(8) Uani d . 1 N
C2 0.7798(4) 0.4760(4) 0.3787(2) 0.0164(9) Uani d . 1 C
C2' 0.6966(4) 0.5433(4) 0.2537(2) 0.0182(10) Uani d . 1 C
C3 0.7693(4) 0.4563(4) 0.4560(2) 0.0203(10) Uani d . 1 C
C3' 0.7074(4) 0.6234(4) 0.1932(2) 0.0196(10) Uani d . 1 C
C4 0.8705(4) 0.2906(4) 0.5398(2) 0.0214(10) Uani d . 1 C
H4 0.8430 0.3129 0.5797 0.026 Uiso calc R 1 H
C4' 0.6892(4) 0.5625(4) 0.0597(3) 0.0209(10) Uani d . 1 C
H4' 0.7106 0.6327 0.0448 0.025 Uiso calc R 1 H
C5 0.9429(4) 0.1969(4) 0.5438(2) 0.0193(10) Uani d . 1 C
C5' 0.6623(4) 0.4738(4) 0.0117(2) 0.0223(10) Uani d . 1 C
C6 0.9835(4) 0.1628(4) 0.4860(2) 0.0217(10) Uani d . 1 C
H6 1.0317 0.0979 0.4901 0.026 Uiso calc R 1 H
C6' 0.6281(4) 0.3717(4) 0.0322(3) 0.0222(10) Uani d . 1 C
H6' 0.6090 0.3129 -0.0018 0.027 Uiso calc R 1 H
C7 0.9543(4) 0.2228(4) 0.4226(2) 0.0218(10) Uani d . 1 C
H7 0.9817 0.2007 0.3826 0.026 Uiso calc R 1 H
C7' 0.6216(4) 0.3548(4) 0.1025(3) 0.0229(10) Uani d . 1 C
H7' 0.5982 0.2855 0.1175 0.027 Uiso calc R 1 H
C8 0.8840(4) 0.3156(4) 0.4196(2) 0.0193(10) Uani d . 1 C
C8' 0.6505(4) 0.4429(4) 0.1488(2) 0.0178(10) Uani d . 1 C
C9 0.8399(4) 0.3498(4) 0.4764(2) 0.0208(10) Uani d . 1 C
C9' 0.6837(4) 0.5455(4) 0.1291(2) 0.0189(10) Uani d . 1 C
C10 0.7283(4) 0.5575(4) 0.3286(2) 0.0205(10) Uani d . 1 C
C11 0.9043(4) 0.3911(4) 0.3040(2) 0.0245(11) Uani d . 1 C
H11A 0.8573 0.3415 0.2662 0.029 Uiso calc R 1 H
H11B 0.9882 0.3642 0.3214 0.029 Uiso calc R 1 H
H11C 0.9042 0.4657 0.2842 0.029 Uiso calc R 1 H
C11' 0.6047(4) 0.3559(4) 0.2563(3) 0.0258(11) Uani d . 1 C
H11D 0.6702 0.3041 0.2787 0.031 Uiso calc R 1 H
H11E 0.5413 0.3172 0.2196 0.031 Uiso calc R 1 H
H11F 0.5698 0.3859 0.2933 0.031 Uiso calc R 1 H
C12 0.8311(5) 0.5465(4) 0.5115(2) 0.0297(12) Uani d . 1 C
H12A 0.8446 0.5176 0.5605 0.036 Uiso calc R 1 H
H12B 0.7785 0.6117 0.5050 0.036 Uiso calc R 1 H
H12C 0.9094 0.5669 0.5038 0.036 Uiso calc R 1 H
C12' 0.6082(4) 0.7137(4) 0.1767(3) 0.0251(11) Uani d . 1 C
H12D 0.6037 0.7479 0.1300 0.030 Uiso calc R 1 H
H12E 0.6285 0.7702 0.2146 0.030 Uiso calc R 1 H
H12F 0.5294 0.6805 0.1750 0.030 Uiso calc R 1 H
C13 0.6359(4) 0.4427(4) 0.4543(3) 0.0296(12) Uani d . 1 C
H13A 0.6001 0.3814 0.4221 0.036 Uiso calc R 1 H
H13B 0.5915 0.5110 0.4366 0.036 Uiso calc R 1 H
H13C 0.6304 0.4269 0.5031 0.036 Uiso calc R 1 H
C13' 0.8348(4) 0.6770(4) 0.2100(3) 0.0268(11) Uani d . 1 C
H13D 0.8960 0.6196 0.2117 0.032 Uiso calc R 1 H
H13E 0.8530 0.7147 0.2567 0.032 Uiso calc R 1 H
H13F 0.8363 0.7306 0.1722 0.032 Uiso calc R 1 H
Cl 0.73957(13) 0.04994(11) 0.20830(7) 0.0328(3) Uani d . 1 Cl
O1 0.6689(5) 0.0891(4) 0.1404(2) 0.0702(15) Uani d . 1 O
O2 0.6659(5) -0.0086(5) 0.2437(3) 0.0785(17) Uani d . 1 O
O3 0.8317(6) -0.0219(5) 0.1992(3) 0.094(2) Uani d . 1 O
O4 0.7931(6) 0.1402(4) 0.2519(3) 0.0925(19) Uani d . 1 O
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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_publ_flag
C2 N1 C8 112.2(4) ?
C2 N1 C11 126.6(4) y
C8 N1 C11 120.3(4) ?
C2' N1' C8' 111.8(4) ?
C2' N1' C11' 126.3(4) y
C8' N1' C11' 121.7(4) ?
N1 C2 C10 121.9(4) y
N1 C2 C3 107.8(4) ?
C10 C2 C3 130.2(4) ?
N1' C2' C10 121.5(4) y
N1' C2' C3' 107.9(4) ?
C10 C2' C3' 130.5(4) ?
C9 C3 C13 111.8(4) ?
C9 C3 C2 101.6(4) ?
C13 C3 C2 110.1(4) ?
C9 C3 C12 108.1(4) ?
C13 C3 C12 110.5(4) ?
C2 C3 C12 114.4(4) ?
C9' C3' C12' 108.6(4) ?
C9' C3' C13' 112.0(4) ?
C12' C3' C13' 110.1(4) ?
C9' C3' C2' 101.1(3) ?
C12' C3' C2' 112.9(4) ?
C13' C3' C2' 111.9(4) ?
C9 C4 C5 118.2(4) ?
C9' C4' C5' 118.1(4) ?
C6 C5 C4 121.7(4) ?
C6 C5 I2 117.8(3) ?
C4 C5 I2 120.4(3) ?
C6' C5' C4' 121.5(4) ?
C6' C5' I3 118.1(3) ?
C4' C5' I3 120.3(3) ?
C7 C6 C5 120.3(4) ?
C5' C6' C7' 120.3(4) ?
C8 C7 C6 117.4(4) ?
C8' C7' C6' 116.8(4) ?
C7 C8 C9 123.2(4) ?
C7 C8 N1 127.9(4) ?
C9 C8 N1 108.9(4) ?
C7' C8' C9' 123.6(4) ?
C7' C8' N1' 127.5(4) ?
C9' C8' N1' 108.8(4) ?
C4 C9 C8 119.2(4) ?
C4 C9 C3 131.2(4) ?
C8 C9 C3 109.5(4) ?
C4' C9' C8' 119.6(4) ?
C4' C9' C3' 130.9(4) ?
C8' C9' C3' 109.5(4) ?
C2 C10 C2' 124.5(4) y
C2 C10 I1 118.6(3) y
C2' C10 I1 116.8(3) y
O4 Cl O1 109.5(3) ?
O4 Cl O2 108.5(3) ?
O1 Cl O2 110.6(3) ?
O4 Cl O3 109.6(4) ?
O1 Cl O3 110.0(3) ?
O2 Cl O3 108.6(4) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
I1 C10 2.116(4) y
I2 C5 2.097(4) y
I3 C5' 2.101(5) y
N1 C2 1.360(6) y
N1 C8 1.409(6) ?
N1 C11 1.452(5) y
N1' C2' 1.351(6) y
N1' C8' 1.418(6) ?
N1' C11' 1.457(6) y
C2 C10 1.392(6) y
C2 C3 1.550(6) ?
C2' C10 1.398(6) y
C2' C3' 1.550(6) ?
C3 C9 1.514(6) ?
C3 C13 1.527(6) ?
C3 C12 1.553(6) ?
C3' C9' 1.518(6) ?
C3' C12' 1.544(6) ?
C3' C13' 1.546(6) ?
C4 C9 1.376(6) ?
C4 C5 1.393(6) ?
C4' C9' 1.375(6) ?
C4' C5' 1.394(6) ?
C5 C6 1.386(6) ?
C5' C6' 1.388(7) ?
C6 C7 1.382(6) ?
C6' C7' 1.394(7) ?
C7 C8 1.374(6) ?
C7' C8' 1.371(6) ?
C8 C9 1.392(6) ?
C8' C9' 1.382(6) ?
Cl O4 1.410(5) ?
Cl O1 1.415(4) ?
Cl O2 1.415(5) ?
Cl O3 1.415(5) ?
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
C8 N1 C2 C10 -175.2(4)
C11 N1 C2 C10 15.5(7)
C8 N1 C2 C3 3.1(5)
C11 N1 C2 C3 -166.2(4)
C8' N1' C2' C10 -168.2(4)
C11' N1' C2' C10 16.9(7)
C8' N1' C2' C3' 9.1(5)
C11' N1' C2' C3' -165.7(4)
N1 C2 C3 C9 -2.1(4)
C10 C2 C3 C9 176.0(4)
N1 C2 C3 C13 -120.7(4)
C10 C2 C3 C13 57.4(6)
N1 C2 C3 C12 114.2(4)
C10 C2 C3 C12 -67.8(6)
N1' C2' C3' C9' -9.2(4)
C10 C2' C3' C9' 167.8(5)
N1' C2' C3' C12' 106.6(4)
C10 C2' C3' C12' -76.4(6)
N1' C2' C3' C13' -128.6(4)
C10 C2' C3' C13' 48.4(6)
C9 C4 C5 C6 -0.3(7)
C9 C4 C5 I2 179.3(3)
C9' C4' C5' C6' 1.5(7)
C9' C4' C5' I3 -174.9(3)
C4 C5 C6 C7 1.0(7)
I2 C5 C6 C7 -178.6(3)
C4' C5' C6' C7' -1.0(7)
I3 C5' C6' C7' 175.5(3)
C5 C6 C7 C8 -0.3(7)
C5' C6' C7' C8' -0.1(7)
C6 C7 C8 C9 -1.2(7)
C6 C7 C8 N1 175.2(4)
C2 N1 C8 C7 -179.7(4)
C11 N1 C8 C7 -9.7(7)
C2 N1 C8 C9 -2.9(5)
C11 N1 C8 C9 167.2(4)
C6' C7' C8' C9' 0.7(7)
C6' C7' C8' N1' -178.5(4)
C2' N1' C8' C7' 174.3(4)
C11' N1' C8' C7' -10.6(7)
C2' N1' C8' C9' -5.0(5)
C11' N1' C8' C9' 170.1(4)
C5 C4 C9 C8 -1.2(7)
C5 C4 C9 C3 -176.6(4)
C7 C8 C9 C4 2.0(7)
N1 C8 C9 C4 -175.0(4)
C7 C8 C9 C3 178.4(4)
N1 C8 C9 C3 1.4(5)
C13 C3 C9 C4 -66.5(6)
C2 C3 C9 C4 176.2(5)
C12 C3 C9 C4 55.5(6)
C13 C3 C9 C8 117.8(4)
C2 C3 C9 C8 0.4(5)
C12 C3 C9 C8 -120.3(4)
C5' C4' C9' C8' -0.9(7)
C5' C4' C9' C3' 179.9(4)
C7' C8' C9' C4' -0.2(7)
N1' C8' C9' C4' 179.1(4)
C7' C8' C9' C3' 179.2(4)
N1' C8' C9' C3' -1.5(5)
C12' C3' C9' C4' 66.7(6)
C13' C3' C9' C4' -55.1(6)
C2' C3' C9' C4' -174.4(5)
C12' C3' C9' C8' -112.6(4)
C13' C3' C9' C8' 125.7(4)
C2' C3' C9' C8' 6.4(5)
N1 C2 C10 C2' 28.2(7)
C3 C2 C10 C2' -149.7(5)
N1 C2 C10 I1 -149.7(3)
C3 C2 C10 I1 32.5(6)
N1' C2' C10 C2 35.0(7)
C3' C2' C10 C2 -141.7(5)
N1' C2' C10 I1 -147.1(3)
C3' C2' C10 I1 36.2(6)