#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:29:58 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179020 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/18/4121815.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_4121815
loop_
_publ_author_name
'Zhang, Mei'
'Feng, Guangxue'
'Song, Zhegang'
'Zhou, Yu-Peng'
'Chao, Hsiu-Yi'
'Yuan, Daqiang'
'Tan, Tristan T. Y.'
'Guo, Zhengang'
'Hu, Zhigang'
'Tang, Ben Zhong'
'Liu, Bin'
'Zhao, Dan'
_publ_section_title
;
 Two-dimensional metal-organic framework with wide channels and responsive
 turn-on fluorescence for the chemical sensing of volatile organic
 compounds.
;
_journal_issue                   20
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7241
_journal_page_last               7244
_journal_paper_doi               10.1021/ja502643p
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'C84 H54 O13 Zn4'
_chemical_formula_weight         1532.75
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   25.2435(14)
_cell_length_b                   25.2435(14)
_cell_length_c                   11.6675(6)
_cell_measurement_reflns_used    2452
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      70.3760
_cell_measurement_theta_min      4.0340
_cell_volume                     6438.8(6)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.5594
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0878
_diffrn_reflns_av_unetI/netI     0.1264
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_number            16447
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.969
_diffrn_reflns_theta_min         3.502
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.140
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.35092
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.791
_exptl_crystal_description       block
_exptl_crystal_F_000             1564
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.721
_refine_diff_density_min         -0.722
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         8310
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.923
_refine_ls_R_factor_all          0.1327
_refine_ls_R_factor_gt           0.0949
_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)+(0.1457P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2400
_refine_ls_wR_factor_ref         0.2752
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4307
_reflns_number_total             8310
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja502643p_si_004.cif
_cod_data_source_block           NUS-1a
_cod_depositor_comments
'Adding full bibliography for 4121814--4121816.cif.'
_cod_original_cell_volume        6438.8(8)
_cod_database_code               4121815
#BEGIN Tags that were not found in dictionaries:
_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.
;
_shelx_estimated_absorpt_t_min   0.904
_shelx_estimated_absorpt_t_max   0.935
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.68011(3) 0.41161(3) 1.04434(6) 0.0507(3) Uani 1 1 d . . . . .
Zn2 Zn 0.6667 0.3333 0.82200(9) 0.0453(3) Uani 1 3 d S T P . .
O1 O 0.68388(16) 0.45937(16) 0.9017(3) 0.0456(8) Uani 1 1 d . . . . .
O2 O 0.64731(18) 0.39186(17) 0.7555(3) 0.0500(8) Uani 1 1 d . . . . .
O3 O 0.4588(3) 0.6988(3) 0.8861(4) 0.0993(19) Uani 1 1 d . . . . .
O4 O 0.3857(3) 0.5943(2) 0.8720(5) 0.101(2) Uani 1 1 d . . . . .
O5 O 0.6667 0.3333 0.9884(4) 0.0428(13) Uani 1 3 d S T P . .
C1 C 0.6609(2) 0.4422(3) 0.8048(4) 0.0453(12) Uani 1 1 d . . . . .
C2 C 0.6491(2) 0.4867(2) 0.7375(4) 0.0403(10) Uani 1 1 d . . . . .
C3 C 0.6245(2) 0.4724(2) 0.6294(4) 0.0464(12) Uani 1 1 d . . . . .
H3 H 0.6158 0.4347 0.5952 0.056 Uiso 1 1 calc R U . . .
C4 C 0.6123(3) 0.5129(3) 0.5692(4) 0.0499(12) Uani 1 1 d . . . . .
H4 H 0.5965 0.5034 0.4934 0.060 Uiso 1 1 calc R U . . .
C5 C 0.6232(2) 0.5664(2) 0.6202(4) 0.0412(11) Uani 1 1 d . . . . .
C6 C 0.6471(3) 0.5806(3) 0.7285(4) 0.0563(14) Uani 1 1 d . . . . .
H6 H 0.6553 0.6180 0.7629 0.068 Uiso 1 1 calc R U . . .
C7 C 0.6597(3) 0.5403(3) 0.7888(4) 0.0518(13) Uani 1 1 d . . . . .
H7 H 0.6754 0.5498 0.8647 0.062 Uiso 1 1 calc R U . . .
C8 C 0.6055(2) 0.6091(2) 0.5623(4) 0.0427(11) Uani 1 1 d . . . . .
C9 C 0.5627(3) 0.6194(2) 0.6320(4) 0.0478(12) Uani 1 1 d . . . . .
C10 C 0.5735(4) 0.6774(3) 0.6634(5) 0.078(2) Uani 1 1 d . . . . .
H10 H 0.6084 0.7124 0.6332 0.094 Uiso 1 1 calc R U . . .
C11 C 0.5359(5) 0.6856(3) 0.7358(7) 0.099(3) Uani 1 1 d . . . . .
H11 H 0.5469 0.7256 0.7609 0.119 Uiso 1 1 calc R U . . .
C12 C 0.4812(4) 0.6354(3) 0.7730(5) 0.075(2) Uani 1 1 d . . . . .
C13 C 0.4672(3) 0.5771(3) 0.7379(4) 0.0567(14) Uani 1 1 d . . . . .
H13 H 0.4299 0.5424 0.7612 0.068 Uiso 1 1 calc R U . . .
C14 C 0.5078(3) 0.5697(2) 0.6690(4) 0.0439(11) Uani 1 1 d . . . . .
H14 H 0.4979 0.5296 0.6464 0.053 Uiso 1 1 calc R U . . .
C15 C 0.4391(4) 0.6424(4) 0.8505(6) 0.091(3) Uani 1 1 d . . . . .
C16 C 0.6267(2) 0.6341(3) 0.4586(4) 0.0473(12) Uani 1 1 d . . . . .
C17 C 0.6029(2) 0.6708(3) 0.4001(4) 0.0471(12) Uani 1 1 d . . . . .
C18 C 0.6427(3) 0.7313(3) 0.3738(6) 0.081(2) Uani 1 1 d . . . . .
H18 H 0.6854 0.7481 0.3858 0.098 Uiso 1 1 calc R U . . .
C19 C 0.6208(4) 0.7679(4) 0.3299(9) 0.112(3) Uani 1 1 d . . . . .
H19 H 0.6473 0.8107 0.3218 0.134 Uiso 1 1 calc R U . . .
C20 C 0.5602(4) 0.7415(5) 0.2983(10) 0.120(4) Uani 1 1 d . . . . .
H20 H 0.5458 0.7654 0.2613 0.143 Uiso 1 1 calc R U . . .
C21 C 0.5202(3) 0.6801(4) 0.3206(7) 0.079(2) Uani 1 1 d . . . . .
H21 H 0.4784 0.6618 0.2989 0.094 Uiso 1 1 calc R U . . .
C22 C 0.5410(3) 0.6464(3) 0.3730(5) 0.0607(15) Uani 1 1 d . . . . .
H22 H 0.5129 0.6050 0.3920 0.073 Uiso 1 1 calc R U . . .
C23A C 0.6615(7) 0.6128(6) 0.3814(17) 0.046(4) Uani 0.5 1 d . . P A 1
C24A C 0.6467(6) 0.5988(6) 0.2677(14) 0.059(4) Uani 0.5 1 d . . P A 1
H24A H 0.6123 0.5999 0.2375 0.071 Uiso 0.5 1 calc R U P A 1
C26A C 0.7292(7) 0.5824(7) 0.2365(14) 0.073(4) Uani 0.5 1 d . . P A 1
H26A H 0.7506 0.5691 0.1884 0.087 Uiso 0.5 1 calc R U P A 1
C26B C 0.7795(8) 0.6348(10) 0.2986(14) 0.097(6) Uani 0.5 1 d . . P A 2
H26B H 0.8125 0.6341 0.2608 0.116 Uiso 0.5 1 calc R U P A 2
C27B C 0.7816(7) 0.6457(9) 0.4126(16) 0.092(6) Uani 0.5 1 d . . P A 2
H27B H 0.8161 0.6512 0.4551 0.110 Uiso 0.5 1 calc R U P A 2
C28B C 0.7335(7) 0.6491(7) 0.4714(12) 0.061(3) Uani 0.5 1 d . . P A 2
H28B H 0.7358 0.6583 0.5509 0.074 Uiso 0.5 1 calc R U P A 2
C25A C 0.6799(7) 0.5833(6) 0.1967(11) 0.063(3) Uani 0.5 1 d . . P A 1
H25A H 0.6679 0.5730 0.1190 0.076 Uiso 0.5 1 calc R U P A 1
C24B C 0.6781(8) 0.6263(9) 0.2911(11) 0.065(4) Uani 0.5 1 d . . P A 2
H24B H 0.6438 0.6194 0.2463 0.078 Uiso 0.5 1 calc R U P A 2
C25B C 0.7292(8) 0.6251(10) 0.2404(13) 0.086(5) Uani 0.5 1 d . . P A 2
H25B H 0.7276 0.6169 0.1607 0.103 Uiso 0.5 1 calc R U P A 2
C28A C 0.7158(7) 0.6168(7) 0.4212(11) 0.056(3) Uani 0.5 1 d . . P A 1
H28A H 0.7295 0.6300 0.4973 0.067 Uiso 0.5 1 calc R U P A 1
C27A C 0.7493(7) 0.6013(8) 0.3487(17) 0.080(4) Uani 0.5 1 d . . P A 1
H27A H 0.7860 0.6034 0.3751 0.096 Uiso 0.5 1 calc R U P A 1
C23B C 0.6804(8) 0.6374(6) 0.4014(16) 0.045(4) Uani 0.5 1 d . . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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
O4 Zn1 O3 116.2(3) 4_667 6_657
O4 Zn1 O5 113.49(19) 4_667 .
O3 Zn1 O5 111.4(2) 6_657 .
O4 Zn1 O1 104.60(19) 4_667 .
O3 Zn1 O1 104.7(2) 6_657 .
O5 Zn1 O1 105.12(17) . .
O2 Zn2 O2 105.00(12) 3_665 2_655
O2 Zn2 O2 105.00(12) 3_665 .
O2 Zn2 O2 105.00(12) 2_655 .
O2 Zn2 O5 113.64(10) 3_665 .
O2 Zn2 O5 113.64(11) 2_655 .
O2 Zn2 O5 113.64(10) . .
C1 O1 Zn1 131.5(3) . .
C1 O2 Zn2 122.4(3) . .
C15 O3 Zn1 127.8(6) . 5_567
C15 O4 Zn1 129.4(4) . 4_667
Zn2 O5 Zn1 109.64(13) . 3_665
Zn2 O5 Zn1 109.64(13) . 2_655
Zn1 O5 Zn1 109.30(13) 3_665 2_655
Zn2 O5 Zn1 109.64(13) . .
Zn1 O5 Zn1 109.30(13) 3_665 .
Zn1 O5 Zn1 109.30(13) 2_655 .
O1 C1 O2 127.0(5) . .
O1 C1 C2 116.3(5) . .
O2 C1 C2 116.8(4) . .
C3 C2 C7 119.9(5) . .
C3 C2 C1 120.7(4) . .
C7 C2 C1 119.2(4) . .
C2 C3 C4 120.4(5) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C5 C4 C3 119.6(5) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
C6 C5 C4 120.1(5) . .
C6 C5 C8 118.4(4) . .
C4 C5 C8 121.4(4) . .
C5 C6 C7 120.5(5) . .
C5 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C2 C7 C6 119.5(5) . .
C2 C7 H7 120.3 . .
C6 C7 H7 120.3 . .
C16 C8 C9 124.6(5) . .
C16 C8 C5 123.1(5) . .
C9 C8 C5 112.4(4) . .
C14 C9 C10 116.5(5) . .
C14 C9 C8 120.0(5) . .
C10 C9 C8 123.5(5) . .
C11 C10 C9 122.4(6) . .
C11 C10 H10 118.8 . .
C9 C10 H10 118.8 . .
C10 C11 C12 120.2(6) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C13 C12 C11 118.8(6) . .
C13 C12 C15 119.4(7) . .
C11 C12 C15 121.8(6) . .
C14 C13 C12 119.9(6) . .
C14 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
C13 C14 C9 121.9(5) . .
C13 C14 H14 119.0 . .
C9 C14 H14 119.0 . .
O4 C15 O3 126.8(6) . .
O4 C15 C12 118.4(7) . .
O3 C15 C12 114.8(7) . .
C8 C16 C23B 124.9(8) . .
C8 C16 C17 120.8(5) . .
C23B C16 C17 113.6(7) . .
C8 C16 C23A 121.8(8) . .
C17 C16 C23A 115.3(8) . .
C18 C17 C22 118.2(5) . .
C18 C17 C16 119.4(5) . .
C22 C17 C16 122.4(5) . .
C17 C18 C19 120.4(7) . .
C17 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
C20 C19 C18 119.5(8) . .
C20 C19 H19 120.3 . .
C18 C19 H19 120.3 . .
C19 C20 C21 120.1(7) . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C22 C21 C20 119.6(7) . .
C22 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C21 C22 C17 121.7(6) . .
C21 C22 H22 119.1 . .
C17 C22 H22 119.1 . .
C24A C23A C28A 117.8(16) . .
C24A C23A C16 121.9(14) . .
C28A C23A C16 119.5(15) . .
C25A C24A C23A 122.2(15) . .
C25A C24A H24A 118.9 . .
C23A C24A H24A 118.9 . .
C25A C26A C27A 120.1(12) . .
C25A C26A H26A 120.0 . .
C27A C26A H26A 120.0 . .
C25B C26B C27B 118.0(13) . .
C25B C26B H26B 121.0 . .
C27B C26B H26B 121.0 . .
C26B C27B C28B 122.3(15) . .
C26B C27B H27B 118.8 . .
C28B C27B H27B 118.8 . .
C27B C28B C23B 115.9(15) . .
C27B C28B H28B 122.0 . .
C23B C28B H28B 122.0 . .
C26A C25A C24A 120.1(14) . .
C26A C25A H25A 119.9 . .
C24A C25A H25A 119.9 . .
C23B C24B C25B 117.7(16) . .
C23B C24B H24B 121.1 . .
C25B C24B H24B 121.1 . .
C26B C25B C24B 124.3(15) . .
C26B C25B H25B 117.9 . .
C24B C25B H25B 117.9 . .
C27A C28A C23A 119.4(16) . .
C27A C28A H28A 120.3 . .
C23A C28A H28A 120.3 . .
C28A C27A C26A 120.0(14) . .
C28A C27A H27A 120.0 . .
C26A C27A H27A 120.0 . .
C24B C23B C28B 121.8(16) . .
C24B C23B C16 119.4(14) . .
C28B C23B C16 118.7(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O4 1.867(4) 4_667
Zn1 O3 1.935(4) 6_657
Zn1 O5 1.9431(18) .
Zn1 O1 2.029(3) .
Zn2 O2 1.936(4) 3_665
Zn2 O2 1.936(4) 2_655
Zn2 O2 1.935(4) .
Zn2 O5 1.941(5) .
O1 C1 1.246(6) .
O2 C1 1.276(6) .
O3 C15 1.317(10) .
O3 Zn1 1.935(4) 5_567
O4 C15 1.311(10) .
O4 Zn1 1.867(4) 4_667
O5 Zn1 1.9431(18) 3_665
O5 Zn1 1.9431(18) 2_655
C1 C2 1.516(7) .
C2 C3 1.372(7) .
C2 C7 1.378(7) .
C3 C4 1.396(7) .
C3 H3 0.9500 .
C4 C5 1.374(7) .
C4 H4 0.9500 .
C5 C6 1.370(7) .
C5 C8 1.515(7) .
C6 C7 1.396(8) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C16 1.345(6) .
C8 C9 1.475(7) .
C9 C14 1.394(8) .
C9 C10 1.397(7) .
C10 C11 1.362(9) .
C10 H10 0.9500 .
C11 C12 1.396(11) .
C11 H11 0.9500 .
C12 C13 1.392(8) .
C12 C15 1.473(8) .
C13 C14 1.387(7) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C16 C23B 1.476(19) .
C16 C17 1.497(7) .
C16 C23A 1.53(2) .
C17 C18 1.380(9) .
C17 C22 1.399(8) .
C18 C19 1.390(10) .
C18 H18 0.9500 .
C19 C20 1.377(12) .
C19 H19 0.9500 .
C20 C21 1.388(12) .
C20 H20 0.9500 .
C21 C22 1.349(9) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23A C24A 1.38(3) .
C23A C28A 1.40(2) .
C24A C25A 1.366(19) .
C24A H24A 0.9500 .
C26A C25A 1.34(2) .
C26A C27A 1.40(2) .
C26A H26A 0.9500 .
C26B C25B 1.35(2) .
C26B C27B 1.35(3) .
C26B H26B 0.9500 .
C27B C28B 1.434(19) .
C27B H27B 0.9500 .
C28B C23B 1.47(2) .
C28B H28B 0.9500 .
C25A H25A 0.9500 .
C24B C23B 1.31(2) .
C24B C25B 1.434(19) .
C24B H24B 0.9500 .
C25B H25B 0.9500 .
C28A C27A 1.38(2) .
C28A H28A 0.9500 .
C27A H27A 0.9500 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.001 -0.001 -0.011 3032 587 ' '
2 0.667 0.333 0.433 214 78 ' '
3 0.333 0.667 0.567 214 83 ' '
