#------------------------------------------------------------------------------
#$Date: 2019-11-22 19:03:52 +0200 (Fri, 22 Nov 2019) $
#$Revision: 231268 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/63/4516358.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_4516358
loop_
_publ_author_name
'Patyk, Ewa'
'Podsiad\/lo, Marcin'
'Katrusiak, Andrzej'
_publ_section_title
;
 CH···N Bonds and Dynamics in Isostructural
 Pyrimidine Polymorphs
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4039
_journal_paper_doi               10.1021/acs.cgd.5b00657
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C4 H4 N2'
_chemical_formula_sum            'C4 H4 N2'
_chemical_formula_weight         80.09
_chemical_melting_point          293.15
_chemical_name_common            pyrimidine
_chemical_name_systematic
; 
pyrimidine phase I
;
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.463(2)
_cell_length_b                   9.4450(19)
_cell_length_c                   3.6821(7)
_cell_measurement_reflns_used    1626
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.90
_cell_measurement_theta_min      2.79
_cell_volume                     398.65(13)
_computing_cell_refinement       'CrysAlisRED (Oxford Diffraction, 2004)'
_computing_data_collection       'CrysAlisCCD (Oxford Diffraction, 2004)'
_computing_data_reduction
'CrysAlisRED (Oxford Diffraction, 2004); REDSHABS (Katrusiak, A.  2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1990)'
_computing_publication_material  'SHELXL--97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL--97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS--97 (Sheldrick, 1997)'
_diffrn_ambient_environment      'diamond-anvil cell'
_diffrn_ambient_pressure         710000
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.316
_diffrn_measured_fraction_theta_max 0.316
_diffrn_measurement_device_type  'KM-4 CCD'
_diffrn_measurement_method       '\f- and \w-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  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0176
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_number            1626
_diffrn_reflns_theta_full        27.90
_diffrn_reflns_theta_max         27.90
_diffrn_reflns_theta_min         2.79
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.61
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
; 
 Correction for absorption of the diamond-anvil cell and the sample 
 were made using program REDSHABS (Katrusiak, A. (2003) REDSHABS. Adam
 Mickiewicz University Pozna\'n; Katrusiak, A. (2004) Z. Kristallogr.
 219, 461-467).
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cylinder
_exptl_crystal_F_000             168
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.047
_refine_diff_density_min         -0.045
_refine_diff_density_rms         0.013
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   5(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     55
_refine_ls_number_reflns         307
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0289
_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/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0539P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0332
_refine_ls_wR_factor_ref         0.0361
_reflns_number_gt                252
_reflns_number_total             307
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b00657_si_002.cif
_cod_data_source_block           phaseI_0.71GPa
_cod_original_cell_volume        398.65(14)
_cod_database_code               4516358
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'
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
N1 N 0.1265(3) 0.3981(4) 0.0193(16) 0.0638(13) Uani 1 1 d .
N3 N 0.0119(3) 0.1914(4) 0.0232(10) 0.0678(13) Uani 1 1 d .
C2 C 0.0295(4) 0.3255(4) 0.0784(12) 0.0572(13) Uani 1 1 d .
H2 H -0.0334 0.3765 0.1700 0.069 Uiso 1 1 calc R
C4 C 0.1030(4) 0.1171(5) -0.0992(15) 0.0727(19) Uani 1 1 d .
H4 H 0.0950 0.0203 -0.1388 0.087 Uiso 1 1 calc R
C5 C 0.2083(4) 0.1813(5) -0.1674(10) 0.0615(13) Uani 1 1 d .
H5 H 0.2714 0.1299 -0.2560 0.074 Uiso 1 1 calc R
C6 C 0.2170(4) 0.3219(6) -0.1013(10) 0.0606(16) Uani 1 1 d .
H6 H 0.2880 0.3669 -0.1409 0.073 Uiso 1 1 calc R
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
N1 0.053(4) 0.046(4) 0.093(2) -0.010(2) -0.009(2) -0.002(2)
N3 0.064(5) 0.042(6) 0.097(3) -0.003(3) 0.002(2) -0.0037(15)
C2 0.053(6) 0.051(7) 0.068(3) -0.004(3) -0.006(2) 0.0119(17)
C4 0.079(7) 0.054(8) 0.085(3) -0.006(2) -0.016(2) 0.005(3)
C5 0.071(6) 0.046(6) 0.068(3) -0.009(3) 0.002(2) 0.0059(17)
C6 0.047(6) 0.062(7) 0.073(3) -0.001(3) 0.002(2) -0.0113(18)
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
C2 N1 C6 115.3(6)
C2 N3 C4 116.4(5)
N3 C2 N1 127.5(4)
N3 C4 C5 121.1(5)
C6 C5 C4 117.7(4)
N1 C6 C5 122.0(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N1 C2 1.325(5)
N1 C6 1.338(6)
N3 C2 1.299(4)
N3 C4 1.336(7)
C4 C5 1.374(6)
C5 C6 1.353(5)
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
0 0 -4 6.21 6.65 0.99 o
2 0 -4 2.50 3.60 1.44 o
1 1 -4 0.66 0.97 0.39 o
2 1 -4 0.94 0.86 0.38 o
4 1 -4 0.49 1.73 1.00 o
0 2 -4 2.65 2.27 1.13 o
1 2 -4 0.56 0.92 0.56 o
2 2 -4 1.24 0.78 0.38 o
3 2 -4 5.16 5.08 0.77 o
4 2 -4 0.55 0.58 0.45 o
5 2 -4 1.17 1.47 0.87 o
2 3 -4 0.10 0.13 0.78 o
3 3 -4 2.83 1.93 0.61 o
4 3 -4 0.11 0.90 1.04 o
5 3 -4 2.71 2.27 0.63 o
6 3 -4 0.14 1.18 0.69 o
4 4 -4 0.07 0.63 0.50 o
5 4 -4 0.08 0.63 0.67 o
7 4 -4 0.31 0.76 0.54 o
6 5 -4 0.49 0.83 1.16 o
2 0 -3 1.34 0.74 0.21 o
0 1 -3 0.68 0.54 0.16 o
1 1 -3 7.09 7.77 0.31 o
2 1 -3 52.06 57.49 1.58 o
3 1 -3 15.62 11.44 0.99 o
4 1 -3 3.16 3.01 0.63 o
5 1 -3 1.93 3.57 1.28 o
1 2 -3 15.11 15.09 0.54 o
2 2 -3 2.12 2.39 0.32 o
3 2 -3 20.58 21.97 0.91 o
4 2 -3 9.00 8.36 0.49 o
5 2 -3 10.03 12.49 0.92 o
6 2 -3 0.40 0.39 0.39 o
1 3 -3 6.36 3.89 1.06 o
2 3 -3 5.14 3.89 0.52 o
3 3 -3 17.55 16.83 0.59 o
4 3 -3 2.78 2.75 0.43 o
5 3 -3 0.44 0.64 0.27 o
6 3 -3 0.24 0.56 0.34 o
7 3 -3 0.45 0.84 0.61 o
3 4 -3 9.01 7.28 1.20 o
4 4 -3 0.44 0.45 0.33 o
5 4 -3 0.47 0.57 0.28 o
6 4 -3 0.66 0.68 0.33 o
7 4 -3 7.81 7.51 0.69 o
8 4 -3 2.35 1.72 0.61 o
4 5 -3 0.43 0.42 0.55 o
5 5 -3 1.39 0.73 0.40 o
6 5 -3 1.23 1.20 0.38 o
7 5 -3 4.11 3.65 0.50 o
8 5 -3 0.17 0.56 0.42 o
6 6 -3 0.10 0.54 0.43 o
7 6 -3 3.06 2.29 0.86 o
8 6 -3 5.29 5.09 0.99 o
9 6 -3 1.50 0.95 0.69 o
0 0 -2 438.94 432.22 11.00 o
2 0 -2 494.99 466.29 16.36 o
1 1 -2 67.07 65.47 1.03 o
2 1 -2 76.33 78.16 1.24 o
3 1 -2 37.75 35.59 0.90 o
4 1 -2 89.50 92.44 5.03 o
5 1 -2 12.09 12.56 1.02 o
0 2 -2 15.93 14.80 0.56 o
1 2 -2 88.53 86.88 2.80 o
2 2 -2 169.04 164.98 3.78 o
3 2 -2 68.38 70.16 1.01 o
4 2 -2 40.95 39.79 1.03 o
5 2 -2 3.55 3.41 0.29 o
6 2 -2 12.91 12.78 0.94 o
1 3 -2 39.54 41.23 1.53 o
2 3 -2 53.25 50.83 1.31 o
3 3 -2 36.97 39.14 0.69 o
4 3 -2 11.70 12.51 0.38 o
5 3 -2 0.64 0.90 0.20 o
6 3 -2 16.28 13.11 1.14 o
7 3 -2 7.83 7.83 0.74 o
2 4 -2 7.44 7.53 0.60 o
3 4 -2 14.84 15.52 0.63 o
4 4 -2 22.08 21.24 0.94 o
5 4 -2 8.97 8.22 0.39 o
6 4 -2 2.25 2.27 0.31 o
7 4 -2 10.94 10.85 0.52 o
8 4 -2 1.95 1.75 0.45 o
4 5 -2 17.81 17.05 0.78 o
5 5 -2 11.74 12.45 0.54 o
6 5 -2 2.65 1.96 0.30 o
7 5 -2 28.49 28.93 0.84 o
8 5 -2 15.28 16.94 0.70 o
9 5 -2 4.94 5.52 0.86 o
6 6 -2 4.40 5.10 0.95 o
7 6 -2 6.34 5.70 0.56 o
8 6 -2 1.55 1.17 0.41 o
9 6 -2 3.07 1.66 0.40 o
10 6 -2 2.24 1.32 0.66 o
8 7 -2 13.85 13.27 1.14 o
9 7 -2 0.09 0.36 0.35 o
10 7 -2 0.19 0.97 1.21 o
2 0 -1 2121.15 2116.02 5.19 o
1 1 -1 127.14 124.81 0.77 o
2 1 -1 873.09 875.03 2.48 o
3 1 -1 42.01 42.05 0.77 o
4 1 -1 167.19 168.19 1.57 o
1 2 -1 198.90 198.62 3.80 o
2 2 -1 6.45 7.11 0.15 o
3 2 -1 76.22 76.34 1.17 o
4 2 -1 87.67 89.92 1.23 o
5 2 -1 8.33 8.53 0.38 o
6 2 -1 165.57 165.63 1.28 o
2 3 -1 18.78 18.18 0.39 o
3 3 -1 9.88 8.35 0.61 o
4 3 -1 394.41 400.08 3.37 o
5 3 -1 3.74 3.56 0.20 o
6 3 -1 22.37 23.50 0.51 o
7 3 -1 1.64 1.52 0.29 o
3 4 -1 0.99 1.21 0.31 o
4 4 -1 3.42 2.80 0.18 o
5 4 -1 12.63 11.97 0.30 o
6 4 -1 20.66 23.02 0.39 o
7 4 -1 42.81 42.79 0.93 o
8 4 -1 4.10 3.30 0.45 o
4 5 -1 21.21 21.69 0.76 o
5 5 -1 32.89 32.75 0.83 o
6 5 -1 3.28 1.55 0.69 o
7 5 -1 13.34 13.10 0.46 o
8 5 -1 0.84 0.56 0.21 o
9 5 -1 5.65 4.37 0.41 o
6 6 -1 122.84 127.55 1.15 o
7 6 -1 18.40 19.47 0.75 o
8 6 -1 15.60 14.74 0.72 o
9 6 -1 0.97 1.19 0.27 o
10 6 -1 4.53 3.05 0.81 o
8 7 -1 4.62 5.34 0.87 o
9 7 -1 0.36 0.69 0.32 o
10 7 -1 2.10 0.96 0.75 o
11 7 -1 0.02 0.58 0.92 o
10 8 -1 5.15 3.80 1.65 o
1 1 0 1.35 1.59 0.05 o
2 1 0 2440.96 2426.07 2.84 o
3 1 0 29.90 31.85 0.25 o
2 2 0 12.93 13.87 0.28 o
3 2 0 0.11 0.17 0.05 o
4 2 0 987.92 996.73 4.39 o
5 2 0 19.45 19.05 0.57 o
2 3 0 463.66 460.35 2.23 o
3 3 0 5.41 5.07 0.12 o
4 3 0 30.37 32.15 0.34 o
5 3 0 8.13 8.40 0.16 o
6 3 0 308.38 310.24 2.56 o
7 3 0 5.54 4.56 0.37 o
3 4 0 1.85 1.69 0.22 o
4 4 0 112.49 109.77 2.53 o
5 4 0 52.76 54.87 0.35 o
6 4 0 8.87 7.74 0.32 o
7 4 0 1.39 1.27 0.21 o
8 4 0 11.94 11.45 0.49 o
4 5 0 0.30 0.35 0.26 o
5 5 0 13.47 13.51 0.85 o
6 5 0 46.37 47.92 0.72 o
7 5 0 50.84 51.92 0.79 o
8 5 0 0.80 1.18 0.39 o
9 5 0 3.98 3.71 0.58 o
6 6 0 14.13 13.74 0.50 o
7 6 0 4.71 4.55 0.42 o
8 6 0 7.92 7.48 0.63 o
9 6 0 2.47 3.80 0.59 o
10 6 0 4.57 4.44 0.60 o
8 7 0 0.67 0.99 0.37 o
9 7 0 0.18 0.61 0.30 o
10 7 0 8.09 9.94 0.83 o
11 8 0 0.04 0.43 0.38 o
2 0 1 2120.70 2138.01 4.04 o
1 1 1 127.23 127.07 1.13 o
2 1 1 873.55 873.56 5.72 o
3 1 1 42.09 41.00 1.55 o
4 1 1 167.16 162.26 10.56 o
1 2 1 198.90 199.47 4.89 o
2 2 1 6.45 7.05 0.19 o
3 2 1 76.23 76.76 1.30 o
4 2 1 87.70 87.12 2.46 o
5 2 1 8.36 7.12 0.95 o
6 2 1 165.53 165.44 2.33 o
2 3 1 18.80 17.16 0.38 o
3 3 1 9.89 9.45 0.44 o
4 3 1 394.32 395.02 3.14 o
5 3 1 3.74 3.65 0.21 o
6 3 1 22.36 21.06 1.56 o
7 3 1 1.64 1.19 0.27 o
3 4 1 0.99 1.00 0.15 o
4 4 1 3.42 3.06 0.27 o
5 4 1 12.61 12.13 0.35 o
6 4 1 20.64 21.67 0.44 o
7 4 1 42.81 42.84 0.90 o
8 4 1 4.10 3.68 0.42 o
4 5 1 21.21 19.52 0.98 o
5 5 1 32.90 29.76 0.83 o
6 5 1 3.29 1.49 0.75 o
7 5 1 13.35 13.09 0.49 o
8 5 1 0.84 0.47 0.25 o
9 5 1 5.65 4.67 0.56 o
6 6 1 122.81 126.67 1.35 o
7 6 1 18.41 18.59 0.56 o
8 6 1 15.61 14.75 0.55 o
9 6 1 0.98 1.17 0.32 o
10 6 1 4.54 4.96 1.76 o
8 7 1 4.61 4.60 0.77 o
9 7 1 0.36 0.35 0.27 o
10 7 1 2.10 1.23 0.56 o
11 7 1 0.02 0.46 1.30 o
10 8 1 5.15 4.06 1.49 o
11 8 1 0.34 0.54 0.87 o
0 0 2 438.52 444.93 8.73 o
2 0 2 495.14 471.95 15.31 o
1 1 2 67.10 61.83 1.03 o
2 1 2 76.27 77.90 1.54 o
3 1 2 37.75 38.61 0.62 o
4 1 2 89.51 85.80 2.85 o
5 1 2 12.11 10.54 0.60 o
0 2 2 15.92 16.15 0.85 o
1 2 2 88.52 91.12 1.59 o
2 2 2 169.11 161.83 3.91 o
3 2 2 68.43 73.02 1.15 o
4 2 2 40.92 40.30 1.70 o
5 2 2 3.55 2.95 0.41 o
6 2 2 12.91 11.50 1.45 o
1 3 2 39.50 39.52 0.79 o
2 3 2 53.22 54.07 1.54 o
3 3 2 36.94 35.41 0.64 o
4 3 2 11.71 11.68 0.36 o
5 3 2 0.64 0.86 0.21 o
6 3 2 16.26 12.53 2.43 o
7 3 2 7.83 8.16 0.64 o
2 4 2 7.44 6.97 1.35 o
3 4 2 14.83 14.27 0.56 o
4 4 2 22.06 20.91 0.75 o
5 4 2 8.98 7.99 0.44 o
6 4 2 2.25 2.03 0.32 o
7 4 2 10.94 11.41 0.53 o
8 4 2 1.95 1.24 0.52 o
4 5 2 17.81 16.32 1.30 o
5 5 2 11.73 12.96 0.66 o
6 5 2 2.65 2.79 0.38 o
7 5 2 28.47 30.59 0.74 o
8 5 2 15.28 16.47 0.71 o
9 5 2 4.95 5.26 0.80 o
6 6 2 4.40 4.25 0.72 o
7 6 2 6.34 5.65 0.80 o
8 6 2 1.54 1.67 0.39 o
9 6 2 3.07 1.75 0.50 o
10 6 2 2.23 0.13 0.99 o
8 7 2 13.86 12.12 1.03 o
9 7 2 0.09 0.77 0.44 o
10 7 2 0.19 0.26 0.63 o
2 0 3 1.33 0.69 0.29 o
0 1 3 0.68 0.62 0.19 o
1 1 3 7.09 8.12 0.31 o
2 1 3 52.07 56.52 1.05 o
3 1 3 15.63 11.52 1.59 o
4 1 3 3.17 3.72 0.48 o
5 1 3 1.93 1.41 1.00 o
1 2 3 15.12 17.82 0.64 o
2 2 3 2.11 2.12 0.34 o
3 2 3 20.56 21.73 0.54 o
4 2 3 9.00 8.15 0.64 o
5 2 3 10.04 12.17 0.91 o
6 2 3 0.40 0.73 0.43 o
1 3 3 6.36 5.28 0.63 o
2 3 3 5.15 3.59 0.40 o
3 3 3 17.55 19.20 0.68 o
4 3 3 2.78 2.32 0.35 o
5 3 3 0.44 0.60 0.31 o
6 3 3 0.24 0.79 0.43 o
7 3 3 0.45 1.36 0.78 o
2 4 3 1.58 0.45 0.66 o
3 4 3 9.00 8.95 0.75 o
4 4 3 0.44 0.79 0.54 o
5 4 3 0.47 0.68 0.30 o
6 4 3 0.66 0.63 0.26 o
7 4 3 7.80 8.68 0.82 o
8 4 3 2.35 1.96 0.79 o
4 5 3 0.43 1.02 0.44 o
5 5 3 1.39 1.47 0.64 o
6 5 3 1.23 1.27 0.38 o
7 5 3 4.11 3.92 0.63 o
8 5 3 0.17 0.89 0.54 o
6 6 3 0.10 0.88 0.55 o
7 6 3 3.06 2.48 0.92 o
8 6 3 5.29 3.57 1.05 o
9 6 3 1.50 1.51 0.86 o
0 0 4 6.23 8.02 1.19 o
2 0 4 2.50 1.87 0.70 o
1 1 4 0.66 0.51 0.34 o
2 1 4 0.94 0.71 0.46 o
3 1 4 1.30 1.08 0.93 o
4 1 4 0.49 0.70 0.73 o
0 2 4 2.65 2.13 0.90 o
1 2 4 0.55 0.83 0.60 o
2 2 4 1.24 1.30 0.60 o
3 2 4 5.16 5.02 0.77 o
4 2 4 0.55 1.10 0.51 o
2 3 4 0.10 0.68 0.91 o
3 3 4 2.83 2.59 0.68 o
4 3 4 0.11 0.82 0.85 o
5 3 4 2.71 3.11 0.70 o
6 3 4 0.14 1.06 0.51 o
4 4 4 0.07 0.88 0.49 o
5 4 4 0.08 0.94 0.66 o
6 5 4 0.49 1.27 1.02 o