#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/53/2005369.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_2005369
loop_
_publ_author_name
'Barker, J.'
'Powell, H. R.'
_publ_section_title
;
 Isopropylamidinium Chloride
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2307
_journal_page_last               2309
_journal_paper_doi               10.1107/S0108270196002843
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          'C4 H11 N2 + , Cl -'
_chemical_formula_moiety         'C4 H11 N2, Cl'
_chemical_formula_structural     'C4 H11 N2, Cl'
_chemical_formula_sum            'C4 H11 Cl N2'
_chemical_formula_weight         122.60
_chemical_name_common            'Isopropylamidine hydrochloride'
_chemical_name_systematic        'Isopropylamidine hydrochloride'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.000
_cell_angle_beta                 100.776(4)
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   10.6713(7)
_cell_length_b                   6.6936(6)
_cell_length_c                   21.0352(7)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    153
_cell_measurement_theta_max      37.8
_cell_measurement_theta_min      37.1
_cell_volume                     1476.04(17)
_computing_cell_refinement       'Rigaku AFC7R Software'
_computing_data_collection       'Rigaku AFC7R Software'
_computing_data_reduction        'Rigaku AFC7R Software'
_computing_molecular_graphics    'CAMERON (Pearce & Watkin, 1993)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement
'CRYSTALS (Watkin, Carruthers & Betteridge, 1985)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      153
_diffrn_measurement_device       'Rigaku AFC7R diffractometer'
_diffrn_measurement_method       θ/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Copper K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            2435
_diffrn_reflns_theta_max         50.78
_diffrn_reflns_theta_min         5.0
_diffrn_standards_decay_%        -0.015
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  .92
_exptl_absorpt_correction_type   'empirical, \y scan'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.103
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         .488
_refine_diff_density_min         -.325
_refine_ls_abs_structure_details
;
;
_refine_ls_extinction_coef       33.(2)
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   4.976
_refine_ls_hydrogen_treatment    'H atoms riding on attached C or N'
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     216
_refine_ls_number_reflns         1366
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          .0368
_refine_ls_shift/esd_max         .0181
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(F)+0.0004F²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .0443
_reflns_number_observed          1366
_reflns_number_total             1521
_reflns_observed_criterion       F>5\s(F)
_cod_data_source_file            hu1140.cif
_cod_data_source_block           jim1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0004F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+0.0004F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1476.04
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C4 H11 Cl1 N2'
_cod_database_code               2005369
loop_
_symmetry_equiv_pos_as_xyz
X,Y,Z
-X,-Y,-Z
-X+1/2,Y+1/2,-Z+1/2
X+1/2,-Y+1/2,Z+1/2
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
Cl(1) 1.0000 -0.11100(9) 0.7296(2) 0.46747(5) 0.0349(6) Uani
Cl(2) 1.0000 -0.52314(9) 0.5846(2) 0.27248(5) 0.0374(6) Uani
N(11) 1.0000 0.0557(4) 0.8273(6) 0.3595(2) 0.0455(2) Uani
N(12) 1.0000 0.2237(4) 0.7725(6) 0.3083(2) 0.0429(2) Uani
N(21) 1.0000 -0.2828(4) 0.4288(6) 0.3745(2) 0.0427(2) Uani
N(22) 1.0000 -0.1522(3) 0.2014(6) 0.4318(2) 0.0408(2) Uani
C(11) 1.0000 0.1618(4) 0.7311(7) 0.3551(2) 0.0366(3) Uani
C(12) 1.0000 0.2060(4) 0.5734(7) 0.4039(2) 0.0395(3) Uani
C(13) 1.0000 0.3382(4) 0.6236(9) 0.4410(2) 0.0557(3) Uani
C(14) 1.0000 0.2051(5) 0.3697(8) 0.3713(2) 0.0576(3) Uani
C(21) 1.0000 -0.2525(4) 0.2440(7) 0.3884(2) 0.0377(3) Uani
C(22) 1.0000 -0.3310(4) 0.0758(7) 0.3553(2) 0.0415(3) Uani
C(23) 1.0000 -0.3302(5) 0.0793(8) 0.2834(2) 0.0551(3) Uani
C(24) 1.0000 -0.4628(5) 0.0770(9) 0.3722(3) 0.0587(4) Uani
H(12) 1.0000 0.1413(4) 0.5691(7) 0.4377(2) 0.06(1) Uiso
H(22) 1.0000 -0.2871(4) -0.0636(7) 0.3733(2) 0.07(2) Uiso
H(111) 1.0000 0.0123(4) 0.7979(6) 0.3926(2) 0.04(1) Uiso
H(112) 1.0000 0.0290(4) 0.9152(6) 0.3339(2) 0.04(2) Uiso
H(121) 1.0000 0.1987(4) 0.8621(6) 0.2815(2) 0.04(1) Uiso
H(122) 1.0000 0.2964(4) 0.7078(6) 0.3014(2) 0.14(3) Uiso
H(131) 1.0000 0.3701(4) 0.5074(9) 0.4759(2) 0.10(2) Uiso
H(132) 1.0000 0.3344(4) 0.7640(9) 0.4659(2) 0.08(2) Uiso
H(133) 1.0000 0.4040(4) 0.6360(9) 0.4079(2) 0.07(2) Uiso
H(141) 1.0000 0.2389(5) 0.2577(8) 0.4073(2) 0.08(2) Uiso
H(142) 1.0000 0.2663(5) 0.3730(8) 0.3358(2) 0.08(2) Uiso
H(143) 1.0000 0.1089(5) 0.3340(8) 0.3477(2) 0.10(2) Uiso
H(211) 1.0000 -0.2404(4) 0.5268(6) 0.3967(2) 0.06(2) Uiso
H(212) 1.0000 -0.3429(4) 0.4556(6) 0.3487(2) 0.04(1) Uiso
H(221) 1.0000 -0.1065(3) 0.2958(6) 0.4516(2) 0.06(2) Uiso
H(222) 1.0000 -0.1333(3) 0.0726(6) 0.4422(2) 0.05(1) Uiso
H(231) 1.0000 -0.3874(5) -0.0428(8) 0.2603(2) 0.08(2) Uiso
H(232) 1.0000 -0.3696(5) 0.2192(8) 0.2632(2) 0.12(2) Uiso
H(233) 1.0000 -0.2336(5) 0.0641(8) 0.2754(2) 0.10(2) Uiso
H(241) 1.0000 -0.5181(5) -0.0450(9) 0.3477(3) 0.08(2) Uiso
H(242) 1.0000 -0.4551(5) 0.0602(9) 0.4238(3) 0.11(2) Uiso
H(243) 1.0000 -0.5093(5) 0.2168(9) 0.3569(3) 0.15(3) Uiso
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
'C   ' 0.0170 0.0090
'H   ' 0.0000 0.0000
'Cl  ' 0.3480 0.7020
'N   ' 0.0290 0.0180
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
6 0 0
1 4 0
0 0 10
loop_
_exptl_absorpt_coefficient_mu
3.85
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
C(11) N(11) H(111) 120.2(3) no
C(11) N(11) H(112) 120.5(3) no
H(111) N(11) H(112) 119.29 no
C(11) N(12) H(121) 121.1(3) no
C(11) N(12) H(122) 125.0(3) no
H(121) N(12) H(122) 113.90 no
C(21) N(21) H(211) 120.5(3) no
C(21) N(21) H(212) 120.9(3) no
H(211) N(21) H(212) 118.27 no
C(21) N(22) H(221) 119.9(3) no
C(21) N(22) H(222) 119.7(3) no
H(221) N(22) H(222) 120.29 no
N(11) C(11) N(12) 120.4(4) yes
N(11) C(11) C(12) 117.7(4) yes
N(12) C(11) C(12) 121.9(4) yes
C(11) C(12) C(13) 110.0(4) yes
C(11) C(12) C(14) 110.4(4) yes
C(13) C(12) C(14) 110.9(4) yes
C(11) C(12) H(12) 108.3(2) no
C(13) C(12) H(12) 108.4(3) no
C(14) C(12) H(12) 108.7(3) no
C(12) C(13) H(131) 109.5(3) no
C(12) C(13) H(132) 109.0(3) no
H(131) C(13) H(132) 109.48 no
C(12) C(13) H(133) 109.9(3) no
H(131) C(13) H(133) 109.48 no
H(132) C(13) H(133) 109.48 no
C(12) C(14) H(141) 109.3(2) no
C(12) C(14) H(142) 109.8(3) no
H(141) C(14) H(142) 109.48 no
C(12) C(14) H(143) 109.3(3) no
H(141) C(14) H(143) 109.48 no
H(142) C(14) H(143) 109.48 no
N(21) C(21) N(22) 120.3(4) yes
N(21) C(21) C(22) 121.2(4) yes
N(22) C(21) C(22) 118.5(4) yes
C(21) C(22) C(23) 110.3(4) yes
C(21) C(22) C(24) 110.6(4) yes
C(23) C(22) C(24) 114.4(4) yes
C(21) C(22) H(22) 108.6(3) no
C(23) C(22) H(22) 106.3(3) no
C(24) C(22) H(22) 106.5(3) no
C(22) C(23) H(231) 109.3(3) no
C(22) C(23) H(232) 109.4(3) no
H(231) C(23) H(232) 109.48 no
C(22) C(23) H(233) 109.7(3) no
H(231) C(23) H(233) 109.48 no
H(232) C(23) H(233) 109.48 no
C(22) C(24) H(241) 109.4(3) no
C(22) C(24) H(242) 109.6(3) no
H(241) C(24) H(242) 109.48 no
C(22) C(24) H(243) 109.3(3) no
H(241) C(24) H(243) 109.48 no
H(242) C(24) H(243) 109.48 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
N(11) C(11) . 1.320(5) yes
N(11) H(111) . 0.93 no
N(11) H(112) . 0.81 no
N(12) C(11) . 1.315(5) yes
N(12) H(121) . 0.83 no
N(12) H(122) . 0.92 no
N(21) C(21) . 1.299(6) yes
N(21) H(211) . 0.88 no
N(21) H(212) . 0.78 no
N(22) C(21) . 1.301(5) yes
N(22) H(221) . 0.86 no
N(22) H(222) . 0.90 no
C(11) C(12) . 1.486(6) yes
C(12) C(13) . 1.517(6) yes
C(12) C(14) . 1.526(6) yes
C(12) H(12) . 1.08 no
C(13) H(131) . 1.08 no
C(13) H(132) . 1.08 no
C(13) H(133) . 1.08 no
C(14) H(141) . 1.08 no
C(14) H(142) . 1.08 no
C(14) H(143) . 1.08 no
C(21) C(22) . 1.495(6) yes
C(22) C(23) . 1.514(6) yes
C(22) C(24) . 1.513(6) yes
C(22) H(22) . 1.08 no
C(23) H(231) . 1.08 no
C(23) H(232) . 1.08 no
C(23) H(233) . 1.08 no
C(24) H(241) . 1.08 no
C(24) H(242) . 1.08 no
C(24) H(243) . 1.08 no
Cl(1) Cl(1) 2_566 3.96 no
Cl(1) Cl(1) 2_576 4.40 no
Cl(1) N(11) . 3.20 yes
Cl(1) N(21) . 3.15 yes
Cl(1) N(22) . 3.62 yes
Cl(1) N(22) 1_565 3.26 yes
Cl(1) N(22) 2_566 3.22 yes
Cl(1) C(11) . 4.08 no
Cl(1) C(12) . 4.00 no
Cl(1) C(12) 2_566 3.67 no
Cl(1) C(13) 2_566 4.11 no
Cl(1) C(14) 2_566 3.77 no
Cl(1) C(21) . 3.83 no
Cl(1) C(21) 1_565 4.00 no
Cl(1) C(22) 1_565 3.79 no
Cl(1) H(12) . 3.07 no
Cl(1) H(12) 2_566 2.88 no
Cl(1) H(22) 1_565 2.83 no
Cl(1) H(111) . 2.28 no
Cl(1) H(112) . 3.64 no
Cl(1) H(131) 2_566 3.58 no
Cl(1) H(141) 2_566 3.19 no
Cl(1) H(143) 2_566 3.91 no
Cl(1) H(211) . 2.28 no
Cl(1) H(212) . 3.66 no
Cl(1) H(221) . 2.92 no
Cl(1) H(221) 1_565 3.81 no
Cl(1) H(221) 2_566 2.61 no
Cl(1) H(222) 1_565 2.36 no
Cl(1) H(222) 2_566 3.21 no
Cl(2) N(11) 3_445 3.23 yes
Cl(2) N(12) 1_455 3.19 yes
Cl(2) N(12) 3_445 3.24 yes
Cl(2) N(21) . 3.20 yes
Cl(2) C(11) 1_455 4.18 no
Cl(2) C(11) 3_445 3.68 no
Cl(2) C(12) 1_455 4.36 no
Cl(2) C(13) 1_455 4.10 no
Cl(2) C(14) 1_455 4.13 no
Cl(2) C(14) 3_455 3.79 no
Cl(2) C(21) . 4.11 no
Cl(2) C(22) . 4.18 no
Cl(2) C(22) 1_565 4.09 no
Cl(2) C(23) . 3.94 no
Cl(2) C(23) 1_565 3.88 no
Cl(2) C(23) 3_455 4.15 no
Cl(2) C(24) . 3.98 no
Cl(2) C(24) 1_565 3.89 no
Cl(2) H(22) 1_565 3.79 no
Cl(2) H(112) 3_445 2.50 no
Cl(2) H(121) 1_455 3.54 no
Cl(2) H(121) 3_445 2.49 no
Cl(2) H(122) 1_455 2.28 no
Cl(2) H(133) 1_455 3.11 no
Cl(2) H(142) 1_455 3.15 no
Cl(2) H(142) 3_455 3.67 no
Cl(2) H(143) 3_455 3.02 no
Cl(2) H(211) . 3.62 no
Cl(2) H(212) . 2.42 no
Cl(2) H(231) 1_565 2.92 no
Cl(2) H(232) . 2.97 no
Cl(2) H(233) 3_455 3.09 no
Cl(2) H(241) 1_565 2.94 no
Cl(2) H(243) . 3.02 no
N(11) N(12) . 2.29 no
N(11) N(22) 1_565 3.84 no
N(11) C(11) . 1.32 no
N(11) C(12) . 2.40 no
N(11) C(13) . 3.46 no
N(11) C(14) . 3.44 no
N(11) C(14) 1_565 3.95 no
N(11) C(23) 3_455 3.86 no
N(11) H(12) . 2.44 no
N(11) H(111) . 0.93 no
N(11) H(112) . 0.81 no
N(11) H(121) . 2.45 no
N(11) H(122) . 3.15 no
N(11) H(132) . 3.40 no
N(11) H(141) 1_565 3.52 no
N(11) H(143) . 3.37 no
N(11) H(143) 1_565 3.46 no
N(11) H(222) 1_565 3.33 no
N(11) H(232) 3_455 3.03 no
N(12) C(11) . 1.32 no
N(12) C(12) . 2.45 no
N(12) C(13) . 3.00 no
N(12) C(14) . 3.03 no
N(12) C(14) 3_555 4.04 no
N(12) C(24) 1_665 3.93 no
N(12) H(12) . 3.31 no
N(12) H(111) . 3.12 no
N(12) H(112) . 2.44 no
N(12) H(121) . 0.83 no
N(12) H(121) 3_545 3.52 no
N(12) H(122) . 0.92 no
N(12) H(132) . 3.31 no
N(12) H(133) . 2.72 no
N(12) H(142) . 2.76 no
N(12) H(142) 3_555 3.13 no
N(12) H(143) . 3.34 no
N(12) H(241) 1_665 2.99 no
N(21) N(22) . 2.25 no
N(21) C(13) 2_566 4.05 no
N(21) C(21) . 1.30 no
N(21) C(22) . 2.44 no
N(21) C(23) . 3.01 no
N(21) C(23) 3_455 3.87 no
N(21) C(24) . 3.03 no
N(21) H(22) . 3.30 no
N(21) H(22) 1_565 3.40 no
N(21) H(131) 2_566 3.47 no
N(21) H(211) . 0.88 no
N(21) H(212) . 0.78 no
N(21) H(221) . 2.41 no
N(21) H(222) . 3.07 no
N(21) H(232) . 2.74 no
N(21) H(233) . 3.31 no
N(21) H(233) 3_455 3.32 no
N(21) H(242) . 3.36 no
N(21) H(243) . 2.77 no
N(22) C(12) 2_566 3.91 no
N(22) C(13) 2_566 3.80 no
N(22) C(21) . 1.30 no
N(22) C(22) . 2.41 no
N(22) C(23) . 3.43 no
N(22) C(24) . 3.42 no
N(22) H(12) 2_566 3.13 no
N(22) H(22) . 2.46 no
N(22) H(111) 1_545 3.41 no
N(22) H(132) 2_566 3.17 no
N(22) H(211) . 2.43 no
N(22) H(212) . 2.96 no
N(22) H(221) . 0.86 no
N(22) H(222) . 0.90 no
N(22) H(233) . 3.37 no
N(22) H(242) . 3.34 no
C(11) C(12) . 1.49 no
C(11) C(13) . 2.46 no
C(11) C(14) . 2.47 no
C(11) H(12) . 2.09 no
C(11) H(111) . 1.96 no
C(11) H(112) . 1.87 no
C(11) H(121) . 1.88 no
C(11) H(122) . 1.99 no
C(11) H(131) . 3.39 no
C(11) H(132) . 2.70 no
C(11) H(133) . 2.69 no
C(11) H(141) . 3.40 no
C(11) H(142) . 2.71 no
C(11) H(143) . 2.72 no
C(11) H(232) 3_455 3.61 no
C(12) C(13) . 1.52 no
C(12) C(14) . 1.53 no
C(12) H(12) . 1.08 no
C(12) H(111) . 2.53 no
C(12) H(112) . 3.15 no
C(12) H(121) . 3.21 no
C(12) H(122) . 2.68 no
C(12) H(131) . 2.14 no
C(12) H(132) . 2.13 no
C(12) H(133) . 2.14 no
C(12) H(141) . 2.14 no
C(12) H(142) . 2.15 no
C(12) H(143) . 2.14 no
C(12) H(221) 2_566 3.51 no
C(13) C(14) . 2.51 no
C(13) C(21) 2_566 3.96 no
C(13) H(12) . 2.12 no
C(13) H(122) . 2.94 no
C(13) H(131) . 1.08 no
C(13) H(131) 2_666 3.39 no
C(13) H(132) . 1.08 no
C(13) H(133) . 1.08 no
C(13) H(141) . 2.71 no
C(13) H(142) . 2.77 no
C(13) H(143) . 3.44 no
C(13) H(241) 1_665 3.50 no
C(13) H(242) 2_566 3.58 no
C(14) C(24) 1_655 4.05 no
C(14) H(12) . 2.13 no
C(14) H(111) . 3.60 no
C(14) H(112) 1_545 3.59 no
C(14) H(121) 3_545 3.55 no
C(14) H(122) . 2.96 no
C(14) H(131) . 2.71 no
C(14) H(132) . 3.44 no
C(14) H(133) . 2.77 no
C(14) H(141) . 1.08 no
C(14) H(142) . 1.08 no
C(14) H(143) . 1.08 no
C(14) H(243) 1_655 3.28 no
C(21) C(22) . 1.50 no
C(21) C(23) . 2.47 no
C(21) C(24) . 2.47 no
C(21) H(22) . 2.11 no
C(21) H(132) 2_566 3.34 no
C(21) H(211) . 1.90 no
C(21) H(212) . 1.83 no
C(21) H(221) . 1.88 no
C(21) H(222) . 1.92 no
C(21) H(231) . 3.40 no
C(21) H(232) . 2.70 no
C(21) H(233) . 2.71 no
C(21) H(241) . 3.41 no
C(21) H(242) . 2.71 no
C(21) H(243) . 2.70 no
C(22) C(23) . 1.51 no
C(22) C(24) . 1.51 no
C(22) H(22) . 1.08 no
C(22) H(211) . 3.24 no
C(22) H(212) . 2.55 no
C(22) H(221) . 3.19 no
C(22) H(222) . 2.52 no
C(22) H(231) . 2.13 no
C(22) H(232) . 2.13 no
C(22) H(233) . 2.14 no
C(22) H(241) . 2.13 no
C(22) H(242) . 2.13 no
C(22) H(243) . 2.13 no
C(23) C(24) . 2.54 no
C(23) H(22) . 2.09 no
C(23) H(212) . 2.88 no
C(23) H(222) . 3.60 no
C(23) H(231) . 1.08 no
C(23) H(232) . 1.08 no
C(23) H(232) 3_445 3.48 no
C(23) H(233) . 1.08 no
C(23) H(233) 3_455 3.58 no
C(23) H(241) . 2.75 no
C(23) H(242) . 3.46 no
C(23) H(243) . 2.83 no
C(24) H(22) . 2.09 no
C(24) H(132) 2_566 3.59 no
C(24) H(133) 1_445 3.42 no
C(24) H(141) 1_455 3.61 no
C(24) H(142) 1_455 3.47 no
C(24) H(212) . 2.92 no
C(24) H(222) . 3.55 no
C(24) H(231) . 2.75 no
C(24) H(232) . 2.83 no
C(24) H(233) . 3.46 no
C(24) H(241) . 1.08 no
C(24) H(242) . 1.08 no
C(24) H(243) . 1.08 no
H(12) H(111) . 2.16 no
H(12) H(131) . 2.46 no
H(12) H(132) . 2.42 no
H(12) H(133) . 3.02 no
H(12) H(141) . 2.47 no
H(12) H(142) . 3.03 no
H(12) H(143) . 2.44 no
H(12) H(221) 2_566 2.59 no
H(22) H(211) 1_545 2.81 no
H(22) H(222) . 2.18 no
H(22) H(231) . 2.42 no
H(22) H(232) . 2.99 no
H(22) H(233) . 2.39 no
H(22) H(241) . 2.43 no
H(22) H(242) . 2.40 no
H(22) H(243) . 2.99 no
H(111) H(112) . 1.50 no
H(111) H(222) 1_565 2.74 no
H(112) H(121) . 2.32 no
H(112) H(143) 1_565 2.93 no
H(112) H(232) 3_455 2.74 no
H(112) H(233) 1_565 3.01 no
H(121) H(122) . 1.47 no
H(121) H(122) 3_555 2.90 no
H(121) H(142) 3_555 2.57 no
H(121) H(241) 1_665 3.14 no
H(122) H(133) . 2.37 no
H(122) H(142) . 2.39 no
H(122) H(142) 3_555 3.05 no
H(122) H(241) 1_665 2.62 no
H(131) H(131) 2_666 2.77 no
H(131) H(132) . 1.76 no
H(131) H(133) . 1.76 no
H(131) H(141) . 2.47 no
H(131) H(142) . 3.08 no
H(132) H(133) . 1.76 no
H(132) H(242) 2_566 2.70 no
H(133) H(141) . 3.08 no
H(133) H(142) . 2.59 no
H(133) H(241) 1_665 2.69 no
H(141) H(142) . 1.76 no
H(141) H(143) . 1.76 no
H(141) H(243) 1_655 3.08 no
H(142) H(143) . 1.76 no
H(142) H(243) 1_655 2.57 no
H(143) H(231) 3_455 3.07 no
H(211) H(212) . 1.43 no
H(211) H(221) . 2.27 no
H(212) H(232) . 2.37 no
H(212) H(233) 3_455 2.97 no
H(212) H(243) . 2.42 no
H(221) H(222) . 1.53 no
H(231) H(232) . 1.76 no
H(231) H(233) . 1.76 no
H(231) H(233) 3_445 3.09 no
H(231) H(241) . 2.51 no
H(231) H(243) . 3.14 no
H(232) H(233) . 1.76 no
H(232) H(233) 3_455 2.75 no
H(232) H(241) . 3.14 no
H(232) H(243) . 2.68 no
H(241) H(242) . 1.76 no
H(241) H(243) . 1.76 no
H(242) H(243) . 1.76 no
