#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:46:14 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224569 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/92/7049210.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_7049210
loop_
_publ_author_name
'Tzeng, Biing-Chiau'
'Lin, Jun-Fu'
_publ_section_title
;
 Crystal-engineering and luminescence studies of
 1,3,5-tris(3-pyridylethynyl)benzene or
 1,3,5-tris(4-pyridylethynyl)benzene with copper(i) iodides.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4046
_journal_page_last               4057
_journal_paper_doi               10.1039/c8dt04904a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C27 H15 Cu2 I2 N3, C6 H6'
_chemical_formula_sum            'C33 H21 Cu2 I2 N3'
_chemical_formula_weight         840.41
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc217h71
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-02-05 deposited with the CCDC.    2019-02-28 downloaded from the CCDC.
;
_cell_angle_alpha                98.307(2)
_cell_angle_beta                 98.761(2)
_cell_angle_gamma                116.814(2)
_cell_formula_units_Z            2
_cell_length_a                   10.0295(11)
_cell_length_b                   10.7980(12)
_cell_length_c                   16.3919(17)
_cell_measurement_reflns_used    761
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.347
_cell_measurement_theta_min      1.295
_cell_volume                     1519.4(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measurement_device_type  'Bruker Smart Apex'
_diffrn_measurement_method       'phi-omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_unetI/netI     0.0520
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.932
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17692
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.932
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.347
_diffrn_reflns_theta_min         1.295
_exptl_absorpt_coefficient_mu    3.458
_exptl_absorpt_correction_T_max  0.9965
_exptl_absorpt_correction_T_min  0.9904
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_meas      1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cloumn
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.1276
_exptl_crystal_size_mid          0.0693
_exptl_crystal_size_min          0.0614
_refine_diff_density_max         0.824
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.264
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         7077
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0459P)²+0.0884P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0817
_refine_ls_wR_factor_ref         0.0983
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5736
_reflns_number_total             7077
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt04904a2.cif
_cod_data_source_block           ljf05a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7049209--7049213.cif.
;
_cod_database_code               7049210
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
I1 I 1.22817(3) 0.64947(3) 0.09882(2) 0.02985(9) Uani 1 1 d . .
I2 I 0.94216(3) 0.79120(3) -0.05095(2) 0.02505(8) Uani 1 1 d . .
Cu1 Cu 0.95030(6) 0.59170(6) 0.02498(3) 0.02900(14) Uani 1 1 d . .
Cu2 Cu 0.81380(6) 0.94429(6) 0.01657(3) 0.03028(14) Uani 1 1 d . .
N1 N 0.8257(4) 0.5595(4) 0.1156(2) 0.0266(8) Uani 1 1 d . .
N2 N 0.2005(4) 0.0959(4) 0.8669(2) 0.0237(7) Uani 1 1 d . .
N3 N -0.6261(4) 0.0918(4) 0.0689(2) 0.0255(8) Uani 1 1 d . .
C1 C 0.8804(5) 0.5530(5) 0.1939(3) 0.0281(10) Uani 1 1 d . .
H1 H 0.9829 0.5743 0.2094 0.034 Uiso 1 1 calc R U
C2 C 0.7930(5) 0.5164(5) 0.2527(3) 0.0307(10) Uani 1 1 d . .
H2 H 0.8368 0.5148 0.3065 0.037 Uiso 1 1 calc R U
C3 C 0.6397(5) 0.4821(5) 0.2305(3) 0.0283(10) Uani 1 1 d . .
C4 C 0.5818(5) 0.4897(5) 0.1497(3) 0.0358(11) Uani 1 1 d . .
H4 H 0.4794 0.4678 0.1324 0.043 Uiso 1 1 calc R U
C5 C 0.6779(5) 0.5298(5) 0.0956(3) 0.0362(11) Uani 1 1 d . .
H5 H 0.6382 0.5367 0.0424 0.043 Uiso 1 1 calc R U
C6 C 0.5387(5) 0.4368(5) 0.2858(3) 0.0313(10) Uani 1 1 d . .
C7 C 0.4438(5) 0.3943(5) 0.3256(3) 0.0297(10) Uani 1 1 d . .
C8 C 0.3158(5) 0.3375(5) 0.3628(3) 0.0255(9) Uani 1 1 d . .
C9 C 0.3285(5) 0.3057(5) 0.4421(3) 0.0279(10) Uani 1 1 d . .
H9 H 0.4231 0.3221 0.4731 0.033 Uiso 1 1 calc R U
C10 C 0.1989(5) 0.2492(4) 0.4748(2) 0.0242(9) Uani 1 1 d . .
C11 C 0.2067(5) 0.2137(5) 0.5561(3) 0.0273(9) Uani 1 1 d . .
C12 C 0.2048(5) 0.1825(5) 0.6229(3) 0.0276(9) Uani 1 1 d . .
C13 C 0.2028(5) 0.1500(4) 0.7047(3) 0.0252(9) Uani 1 1 d . .
C14 C 0.3344(5) 0.1695(5) 0.7590(3) 0.0335(11) Uani 1 1 d . .
H14 H 0.4267 0.2018 0.7424 0.040 Uiso 1 1 calc R U
C15 C 0.3273(5) 0.1404(5) 0.8382(3) 0.0313(10) Uani 1 1 d . .
H15 H 0.4165 0.1528 0.8735 0.038 Uiso 1 1 calc R U
C16 C 0.0735(5) 0.0769(5) 0.8136(3) 0.0329(11) Uani 1 1 d . .
H16 H -0.0170 0.0455 0.8319 0.040 Uiso 1 1 calc R U
C17 C 0.0697(5) 0.1012(5) 0.7337(3) 0.0329(11) Uani 1 1 d . .
H17 H -0.0220 0.0850 0.6990 0.039 Uiso 1 1 calc R U
C18 C 0.0570(5) 0.2240(4) 0.4279(3) 0.0262(9) Uani 1 1 d . .
H18 H -0.0290 0.1875 0.4502 0.031 Uiso 1 1 calc R U
C19 C 0.0434(5) 0.2528(4) 0.3482(3) 0.0254(9) Uani 1 1 d . .
C20 C 0.1731(5) 0.3091(5) 0.3157(3) 0.0270(9) Uani 1 1 d . .
H20 H 0.1643 0.3278 0.2621 0.032 Uiso 1 1 calc R U
C21 C -0.1034(5) 0.2217(5) 0.2970(3) 0.0274(9) Uani 1 1 d . .
C22 C -0.2219(5) 0.1923(5) 0.2504(3) 0.0295(10) Uani 1 1 d . .
C23 C -0.3599(5) 0.1566(4) 0.1896(3) 0.0272(9) Uani 1 1 d . .
C24 C -0.3531(5) 0.1827(5) 0.1105(3) 0.0301(10) Uani 1 1 d . .
H24 H -0.2595 0.2215 0.0953 0.036 Uiso 1 1 calc R U
C25 C -0.4863(5) 0.1508(5) 0.0543(3) 0.0330(11) Uani 1 1 d . .
H25 H -0.4785 0.1720 0.0016 0.040 Uiso 1 1 calc R U
C26 C -0.6317(5) 0.0638(6) 0.1449(3) 0.0400(12) Uani 1 1 d . .
H26 H -0.7275 0.0203 0.1573 0.048 Uiso 1 1 calc R U
C27 C -0.5023(5) 0.0960(6) 0.2071(3) 0.0421(13) Uani 1 1 d . .
H27 H -0.5120 0.0768 0.2600 0.051 Uiso 1 1 calc R U
C28 C 0.2627(7) 0.6863(7) 0.3693(4) 0.0665(18) Uani 1 1 d . .
H28 H 0.2490 0.6173 0.3230 0.080 Uiso 1 1 calc R U
C29 C 0.2705(7) 0.6598(7) 0.4489(4) 0.0651(17) Uani 1 1 d . .
H29 H 0.2604 0.5723 0.4559 0.078 Uiso 1 1 calc R U
C30 C 0.2925(7) 0.7589(8) 0.5164(5) 0.072(2) Uani 1 1 d . .
H30 H 0.2985 0.7404 0.5701 0.087 Uiso 1 1 calc R U
C31 C 0.2750(7) 0.8141(8) 0.3579(5) 0.077(2) Uani 1 1 d . .
H31 H 0.2682 0.8313 0.3039 0.093 Uiso 1 1 calc R U
C32 C 0.3061(7) 0.8862(10) 0.5065(6) 0.091(3) Uani 1 1 d . .
H32 H 0.3214 0.9542 0.5539 0.109 Uiso 1 1 calc R U
C33 C 0.2977(7) 0.9175(7) 0.4276(7) 0.085(3) Uani 1 1 d . .
H33 H 0.3069 1.0051 0.4214 0.102 Uiso 1 1 calc R U
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'
Cu Cu 0.3201 1.2651 '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'
N N 0.0061 0.0033 '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
Cu1 I1 Cu1 60.51(2) . 2_765
Cu1 I2 Cu2 121.81(2) . 2_775
Cu1 I2 Cu2 117.207(19) . .
Cu2 I2 Cu2 81.13(2) 2_775 .
N1 Cu1 I1 107.23(10) . .
N1 Cu1 I2 111.88(10) . .
I1 Cu1 I2 113.73(2) . .
N1 Cu1 Cu1 119.85(10) . 2_765
I1 Cu1 Cu1 61.35(2) . 2_765
I2 Cu1 Cu1 127.06(3) . 2_765
N1 Cu1 I1 101.95(10) . 2_765
I1 Cu1 I1 119.49(2) . 2_765
I2 Cu1 I1 102.02(2) . 2_765
Cu1 Cu1 I1 58.15(2) 2_765 2_765
N3 Cu2 N2 120.86(14) 2_565 2_666
N3 Cu2 I2 115.84(10) 2_565 2_775
N2 Cu2 I2 103.75(10) 2_666 2_775
N3 Cu2 I2 109.70(10) 2_565 .
N2 Cu2 I2 105.16(10) 2_666 .
I2 Cu2 I2 98.87(2) 2_775 .
C1 N1 C5 116.6(4) . .
C1 N1 Cu1 122.8(3) . .
C5 N1 Cu1 120.3(3) . .
C15 N2 C16 116.3(3) . .
C15 N2 Cu2 125.1(3) . 2_666
C16 N2 Cu2 118.6(3) . 2_666
C26 N3 C25 115.3(4) . .
C26 N3 Cu2 122.5(3) . 2_565
C25 N3 Cu2 122.1(3) . 2_565
N1 C1 C2 123.7(4) . .
N1 C1 H1 118.1 . .
C2 C1 H1 118.1 . .
C1 C2 C3 119.2(4) . .
C1 C2 H2 120.4 . .
C3 C2 H2 120.4 . .
C2 C3 C4 117.7(4) . .
C2 C3 C6 123.1(4) . .
C4 C3 C6 119.2(4) . .
C5 C4 C3 119.3(4) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
N1 C5 C4 123.5(4) . .
N1 C5 H5 118.2 . .
C4 C5 H5 118.2 . .
C7 C6 C3 174.1(5) . .
C6 C7 C8 172.5(5) . .
C20 C8 C9 119.9(4) . .
C20 C8 C7 117.7(4) . .
C9 C8 C7 122.4(4) . .
C10 C9 C8 119.7(4) . .
C10 C9 H9 120.1 . .
C8 C9 H9 120.1 . .
C9 C10 C18 119.9(4) . .
C9 C10 C11 121.5(4) . .
C18 C10 C11 118.6(4) . .
C12 C11 C10 176.3(5) . .
C11 C12 C13 177.8(5) . .
C17 C13 C14 117.1(4) . .
C17 C13 C12 121.3(4) . .
C14 C13 C12 121.6(4) . .
C13 C14 C15 119.3(4) . .
C13 C14 H14 120.4 . .
C15 C14 H14 120.4 . .
N2 C15 C14 123.8(4) . .
N2 C15 H15 118.1 . .
C14 C15 H15 118.1 . .
N2 C16 C17 123.7(4) . .
N2 C16 H16 118.1 . .
C17 C16 H16 118.1 . .
C16 C17 C13 119.7(4) . .
C16 C17 H17 120.2 . .
C13 C17 H17 120.2 . .
C19 C18 C10 120.4(4) . .
C19 C18 H18 119.8 . .
C10 C18 H18 119.8 . .
C18 C19 C20 119.4(4) . .
C18 C19 C21 121.4(4) . .
C20 C19 C21 119.1(4) . .
C19 C20 C8 120.5(4) . .
C19 C20 H20 119.7 . .
C8 C20 H20 119.7 . .
C22 C21 C19 175.6(5) . .
C21 C22 C23 176.2(5) . .
C24 C23 C27 117.5(4) . .
C24 C23 C22 120.1(4) . .
C27 C23 C22 122.4(4) . .
C25 C24 C23 118.9(4) . .
C25 C24 H24 120.6 . .
C23 C24 H24 120.6 . .
N3 C25 C24 125.2(4) . .
N3 C25 H25 117.4 . .
C24 C25 H25 117.4 . .
N3 C26 C27 123.6(4) . .
N3 C26 H26 118.2 . .
C27 C26 H26 118.2 . .
C23 C27 C26 119.4(4) . .
C23 C27 H27 120.3 . .
C26 C27 H27 120.3 . .
C31 C28 C29 120.3(7) . .
C31 C28 H28 119.8 . .
C29 C28 H28 119.8 . .
C30 C29 C28 120.5(7) . .
C30 C29 H29 119.8 . .
C28 C29 H29 119.8 . .
C29 C30 C32 120.0(8) . .
C29 C30 H30 120.0 . .
C32 C30 H30 120.0 . .
C28 C31 C33 119.5(8) . .
C28 C31 H31 120.2 . .
C33 C31 H31 120.2 . .
C30 C32 C33 121.7(7) . .
C30 C32 H32 119.2 . .
C33 C32 H32 119.2 . .
C32 C33 C31 117.9(7) . .
C32 C33 H33 121.0 . .
C31 C33 H33 121.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Cu1 2.6090(6) .
I1 Cu1 2.6954(6) 2_765
I2 Cu1 2.6643(6) .
I2 Cu2 2.6970(7) 2_775
I2 Cu2 2.7277(7) .
Cu1 N1 2.052(3) .
Cu1 Cu1 2.6735(11) 2_765
Cu1 I1 2.6954(6) 2_765
Cu2 N3 2.008(3) 2_565
Cu2 N2 2.031(3) 2_666
Cu2 I2 2.6970(7) 2_775
N1 C1 1.341(5) .
N1 C5 1.343(5) .
N2 C15 1.328(5) .
N2 C16 1.342(5) .
N2 Cu2 2.031(3) 2_666
N3 C26 1.328(6) .
N3 C25 1.330(5) .
N3 Cu2 2.008(3) 2_565
C1 C2 1.382(6) .
C1 H1 0.9300 .
C2 C3 1.382(6) .
C2 H2 0.9300 .
C3 C4 1.393(6) .
C3 C6 1.431(6) .
C4 C5 1.377(6) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.193(6) .
C7 C8 1.426(6) .
C8 C20 1.391(6) .
C8 C9 1.394(6) .
C9 C10 1.393(5) .
C9 H9 0.9300 .
C10 C18 1.395(6) .
C10 C11 1.440(5) .
C11 C12 1.192(6) .
C12 C13 1.436(6) .
C13 C17 1.384(6) .
C13 C14 1.384(6) .
C14 C15 1.385(6) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.372(6) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.387(6) .
C18 H18 0.9300 .
C19 C20 1.391(6) .
C19 C21 1.443(6) .
C20 H20 0.9300 .
C21 C22 1.188(6) .
C22 C23 1.429(6) .
C23 C24 1.372(6) .
C23 C27 1.373(6) .
C24 C25 1.367(6) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C27 1.390(6) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C31 1.372(9) .
C28 C29 1.374(9) .
C28 H28 0.9300 .
C29 C30 1.336(9) .
C29 H29 0.9300 .
C30 C32 1.356(11) .
C30 H30 0.9300 .
C31 C33 1.388(10) .
C31 H31 0.9300 .
C32 C33 1.383(11) .
C32 H32 0.9300 .
C33 H33 0.9300 .
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
C5 N1 C1 C2 0.8(7) .
Cu1 N1 C1 C2 -172.8(3) .
N1 C1 C2 C3 1.0(7) .
C1 C2 C3 C4 -1.5(7) .
C1 C2 C3 C6 177.1(4) .
C2 C3 C4 C5 0.2(7) .
C6 C3 C4 C5 -178.4(4) .
C1 N1 C5 C4 -2.1(7) .
Cu1 N1 C5 C4 171.7(4) .
C3 C4 C5 N1 1.6(8) .
C20 C8 C9 C10 -1.8(7) .
C7 C8 C9 C10 -179.4(4) .
C8 C9 C10 C18 0.4(6) .
C8 C9 C10 C11 179.4(4) .
C17 C13 C14 C15 -0.2(7) .
C12 C13 C14 C15 178.1(4) .
C16 N2 C15 C14 1.1(7) .
Cu2 N2 C15 C14 -178.8(4) 2_666
C13 C14 C15 N2 -0.9(8) .
C15 N2 C16 C17 -0.2(7) .
Cu2 N2 C16 C17 179.7(4) 2_666
N2 C16 C17 C13 -0.9(8) .
C14 C13 C17 C16 1.1(7) .
C12 C13 C17 C16 -177.3(5) .
C9 C10 C18 C19 0.9(7) .
C11 C10 C18 C19 -178.2(4) .
C10 C18 C19 C20 -0.8(7) .
C10 C18 C19 C21 177.2(4) .
C18 C19 C20 C8 -0.6(7) .
C21 C19 C20 C8 -178.7(4) .
C9 C8 C20 C19 1.9(7) .
C7 C8 C20 C19 179.6(4) .
C27 C23 C24 C25 1.5(7) .
C22 C23 C24 C25 -178.4(4) .
C26 N3 C25 C24 0.3(7) .
Cu2 N3 C25 C24 177.7(4) 2_565
C23 C24 C25 N3 -1.8(8) .
C25 N3 C26 C27 1.6(7) .
Cu2 N3 C26 C27 -175.8(4) 2_565
C24 C23 C27 C26 0.2(7) .
C22 C23 C27 C26 -179.9(5) .
N3 C26 C27 C23 -1.9(8) .
C31 C28 C29 C30 -1.0(11) .
C28 C29 C30 C32 0.5(10) .
C29 C28 C31 C33 0.9(10) .
C29 C30 C32 C33 0.0(11) .
C30 C32 C33 C31 -0.1(10) .
C28 C31 C33 C32 -0.4(10) .
