#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/06/4310631.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_4310631
loop_
_publ_author_name
'Sara R. Halper'
'Mitchell R. Malachowski'
'Heather M. Delaney'
'Seth M. Cohen'
_publ_section_title
;
 Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and
 Coordination Polymers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1242
_journal_page_last               1249
_journal_paper_doi               10.1021/ic0352295
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C19.5 H18 Cl Cu N3 O2'
_chemical_formula_weight         425.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.5200(10)
_cell_angle_beta                 91.7370(10)
_cell_angle_gamma                98.9500(10)
_cell_formula_units_Z            4
_cell_length_a                   8.3811(5)
_cell_length_b                   15.5837(10)
_cell_length_c                   16.5921(11)
_cell_measurement_temperature    100(2)
_cell_volume                     1885.5(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0385
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16478
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    1.319
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.438
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         8431
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1003P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1472
_refine_ls_wR_factor_ref         0.1543
_reflns_number_gt                6655
_reflns_number_total             8431
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0352295si20031125_115511_4.cif
_cod_data_source_block           '[Cu(3-pyrdpm)(acac)]'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C19.50 H18 Cl Cu N3 O2'
_cod_database_code               4310631
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu2 Cu 0.32592(4) 0.68427(2) 0.35962(2) 0.01094(11) Uani 1 1 d . . .
O3 O 0.4123(2) 0.59143(15) 0.38992(13) 0.0154(4) Uani 1 1 d . . .
O4 O 0.3986(2) 0.62496(15) 0.23869(13) 0.0159(4) Uani 1 1 d . . .
N5 N 0.2202(3) 0.72934(17) 0.47346(16) 0.0115(5) Uani 1 1 d . . .
N4 N 0.2036(3) 0.75912(17) 0.31945(16) 0.0126(5) Uani 1 1 d . . .
C24 C 0.0033(3) 0.79535(19) 0.43034(18) 0.0107(5) Uani 1 1 d . . .
C37 C 0.4547(3) 0.5457(2) 0.20123(19) 0.0142(6) Uani 1 1 d . . .
C28 C 0.2561(3) 0.7159(2) 0.54499(18) 0.0139(6) Uani 1 1 d . . .
H28 H 0.3486 0.6909 0.5526 0.017 Uiso 1 1 calc R . .
C26 C 0.0256(3) 0.7741(2) 0.57228(19) 0.0144(6) Uani 1 1 d . . .
H26 H -0.0694 0.7958 0.5981 0.017 Uiso 1 1 calc R . .
C35 C 0.4731(3) 0.5180(2) 0.33593(19) 0.0144(6) Uani 1 1 d . . .
C25 C 0.0765(3) 0.76742(19) 0.48862(18) 0.0108(5) Uani 1 1 d . . .
C38 C 0.4771(4) 0.5092(2) 0.10228(19) 0.0200(6) Uani 1 1 d . . .
H38A H 0.3726 0.4979 0.0673 0.030 Uiso 1 1 calc R . .
H38B H 0.5177 0.4474 0.0790 0.030 Uiso 1 1 calc R . .
H38C H 0.5556 0.5586 0.0957 0.030 Uiso 1 1 calc R . .
C23 C 0.0631(3) 0.7935(2) 0.35169(18) 0.0114(5) Uani 1 1 d . . .
C22 C 0.0009(3) 0.8314(2) 0.29635(19) 0.0148(6) Uani 1 1 d . . .
H22 H -0.0951 0.8583 0.3027 0.018 Uiso 1 1 calc R . .
C21 C 0.1058(4) 0.8216(2) 0.2321(2) 0.0185(6) Uani 1 1 d . . .
H21 H 0.0976 0.8410 0.1858 0.022 Uiso 1 1 calc R . .
C20 C 0.2291(3) 0.7767(2) 0.24847(19) 0.0164(6) Uani 1 1 d . . .
H20 H 0.3182 0.7612 0.2137 0.020 Uiso 1 1 calc R . .
C27 C 0.1403(3) 0.7433(2) 0.60860(19) 0.0161(6) Uani 1 1 d . . .
H27 H 0.1416 0.7408 0.6647 0.019 Uiso 1 1 calc R . .
C34 C 0.5235(4) 0.4557(2) 0.3759(2) 0.0245(7) Uani 1 1 d . . .
H34A H 0.6028 0.4971 0.4301 0.037 Uiso 1 1 calc R . .
H34B H 0.5727 0.4034 0.3303 0.037 Uiso 1 1 calc R . .
H34C H 0.4279 0.4262 0.3933 0.037 Uiso 1 1 calc R . .
C36 C 0.4935(4) 0.4924(2) 0.2446(2) 0.0171(6) Uani 1 1 d . . .
H36 H 0.5366 0.4348 0.2101 0.021 Uiso 1 1 calc R . .
Cu1 Cu 0.15550(4) 0.32015(2) 0.14111(2) 0.01024(11) Uani 1 1 d . . .
O2 O 0.0693(2) 0.41290(15) 0.11016(13) 0.0154(4) Uani 1 1 d . . .
O1 O 0.0802(2) 0.37988(15) 0.26164(13) 0.0150(4) Uani 1 1 d . . .
N2 N 0.2792(3) 0.24686(17) 0.18281(16) 0.0115(5) Uani 1 1 d . . .
N1 N 0.2615(3) 0.27440(17) 0.02764(15) 0.0107(5) Uani 1 1 d . . .
N3 N 0.9232(3) 0.20370(17) 0.07455(16) 0.0134(5) Uani 1 1 d . . .
C5 C 0.4776(3) 0.20780(19) 0.07070(18) 0.0109(5) Uani 1 1 d . . .
C1 C 0.2252(3) 0.2880(2) -0.04439(18) 0.0135(6) Uani 1 1 d . . .
H1 H 0.1335 0.3138 -0.0518 0.016 Uiso 1 1 calc R . .
C7 C 0.4821(3) 0.1751(2) 0.20709(19) 0.0143(6) Uani 1 1 d . . .
H7 H 0.5777 0.1480 0.2011 0.017 Uiso 1 1 calc R . .
C16 C 0.0238(3) 0.4588(2) 0.29861(19) 0.0137(6) Uani 1 1 d . . .
C12 C 0.9246(3) 0.1156(2) 0.0040(2) 0.0155(6) Uani 1 1 d . . .
H12 H 1.0265 0.0962 -0.0104 0.019 Uiso 1 1 calc R . .
C18 C 0.0087(3) 0.4862(2) 0.16381(19) 0.0140(6) Uani 1 1 d . . .
C11 C 0.7790(3) 0.2298(2) 0.09544(19) 0.0133(6) Uani 1 1 d . . .
H11 H 0.7769 0.2918 0.1466 0.016 Uiso 1 1 calc R . .
C8 C 0.3777(4) 0.1870(2) 0.2722(2) 0.0181(6) Uani 1 1 d . . .
H8 H 0.3863 0.1691 0.3194 0.022 Uiso 1 1 calc R . .
C2 C 0.3400(3) 0.2593(2) -0.10787(19) 0.0157(6) Uani 1 1 d . . .
H2 H 0.3391 0.2616 -0.1641 0.019 Uiso 1 1 calc R . .
C4 C 0.4035(3) 0.2353(2) 0.01203(18) 0.0114(5) Uani 1 1 d . . .
C6 C 0.4194(3) 0.2112(2) 0.15011(18) 0.0111(5) Uani 1 1 d . . .
C13 C 0.7851(3) 0.0510(2) -0.0493(2) 0.0166(6) Uani 1 1 d . . .
H13 H 0.7909 -0.0113 -0.0991 0.020 Uiso 1 1 calc R . .
C9 C 0.2547(3) 0.2312(2) 0.25480(19) 0.0156(6) Uani 1 1 d . . .
H9 H 0.1660 0.2477 0.2898 0.019 Uiso 1 1 calc R . .
C15 C -0.0018(4) 0.4951(2) 0.39709(19) 0.0199(6) Uani 1 1 d . . .
H15A H -0.0861 0.4475 0.4026 0.030 Uiso 1 1 calc R . .
H15B H -0.0362 0.5589 0.4208 0.030 Uiso 1 1 calc R . .
H15C H 0.1001 0.5028 0.4324 0.030 Uiso 1 1 calc R . .
C10 C 0.6323(3) 0.1703(2) 0.04552(19) 0.0125(5) Uani 1 1 d . . .
C14 C 0.6360(3) 0.0794(2) -0.02838(19) 0.0155(6) Uani 1 1 d . . .
H14 H 0.5380 0.0371 -0.0642 0.019 Uiso 1 1 calc R . .
C3 C 0.4540(3) 0.2274(2) -0.07176(19) 0.0144(6) Uani 1 1 d . . .
H3 H 0.5481 0.2045 -0.0979 0.017 Uiso 1 1 calc R . .
C17 C -0.0139(3) 0.5119(2) 0.25482(19) 0.0160(6) Uani 1 1 d . . .
H17 H -0.0579 0.5693 0.2889 0.019 Uiso 1 1 calc R . .
C19 C -0.0413(4) 0.5489(2) 0.1237(2) 0.0226(7) Uani 1 1 d . . .
H19A H 0.0545 0.5778 0.1059 0.034 Uiso 1 1 calc R . .
H19B H -0.0894 0.6017 0.1695 0.034 Uiso 1 1 calc R . .
H19C H -0.1213 0.5079 0.0698 0.034 Uiso 1 1 calc R . .
C30 C -0.2982(3) 0.7737(2) 0.40665(19) 0.0153(6) Uani 1 1 d . . .
H30 H -0.2971 0.7110 0.3563 0.018 Uiso 1 1 calc R . .
C33 C -0.1533(3) 0.9248(2) 0.5278(2) 0.0166(6) Uani 1 1 d . . .
H33 H -0.0547 0.9672 0.5627 0.020 Uiso 1 1 calc R . .
C29 C -0.1506(3) 0.8331(2) 0.45545(19) 0.0121(5) Uani 1 1 d . . .
Cl1 Cl 0.83702(11) 1.04424(7) 0.16471(6) 0.0363(2) Uani 1 1 d . . .
N6 N -0.4419(3) 0.80086(18) 0.42737(16) 0.0152(5) Uani 1 1 d . . .
C31 C -0.4425(3) 0.8897(2) 0.4974(2) 0.0168(6) Uani 1 1 d . . .
H31 H -0.5441 0.9092 0.5123 0.020 Uiso 1 1 calc R . .
C32 C -0.3020(4) 0.9547(2) 0.5492(2) 0.0185(6) Uani 1 1 d . . .
H32 H -0.3066 1.0179 0.5979 0.022 Uiso 1 1 calc R . .
Cl2 Cl 0.63987(18) 0.99897(8) 0.28694(8) 0.0648(4) Uani 1 1 d . . .
C39 C 0.8270(5) 0.9915(3) 0.2348(3) 0.0412(10) Uani 1 1 d . . .
H39A H 0.9202 1.0249 0.2834 0.049 Uiso 1 1 calc R . .
H39B H 0.8358 0.9214 0.1990 0.049 Uiso 1 1 calc R . .
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'
Cu Cu 0.3201 1.2651 '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'
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
_geom_angle_publ_flag
O4 Cu2 O3 91.21(8) . . ?
O4 Cu2 N4 88.16(9) . . ?
O3 Cu2 N4 169.73(9) . . ?
O4 Cu2 N5 171.07(9) . . ?
O3 Cu2 N5 88.74(9) . . ?
N4 Cu2 N5 90.29(9) . . ?
O4 Cu2 N6 94.89(9) . 1_655 ?
O3 Cu2 N6 91.87(9) . 1_655 ?
N4 Cu2 N6 98.40(9) . 1_655 ?
N5 Cu2 N6 94.04(9) . 1_655 ?
C35 O3 Cu2 126.64(18) . . ?
C37 O4 Cu2 126.93(18) . . ?
C28 N5 C25 106.0(2) . . ?
C28 N5 Cu2 126.86(19) . . ?
C25 N5 Cu2 126.43(18) . . ?
C20 N4 C23 106.3(2) . . ?
C20 N4 Cu2 126.5(2) . . ?
C23 N4 Cu2 126.80(18) . . ?
C25 C24 C23 126.0(2) . . ?
C25 C24 C29 116.8(2) . . ?
C23 C24 C29 117.2(2) . . ?
O4 C37 C36 125.2(3) . . ?
O4 C37 C38 115.3(3) . . ?
C36 C37 C38 119.5(3) . . ?
N5 C28 C27 112.2(2) . . ?
C27 C26 C25 107.1(2) . . ?
O3 C35 C36 125.0(3) . . ?
O3 C35 C34 115.7(3) . . ?
C36 C35 C34 119.4(3) . . ?
C24 C25 N5 123.4(2) . . ?
C24 C25 C26 127.8(3) . . ?
N5 C25 C26 108.8(2) . . ?
N4 C23 C24 123.5(2) . . ?
N4 C23 C22 109.1(2) . . ?
C24 C23 C22 127.2(3) . . ?
C21 C22 C23 107.0(2) . . ?
C22 C21 C20 106.3(2) . . ?
N4 C20 C21 111.3(3) . . ?
C26 C27 C28 105.9(2) . . ?
C37 C36 C35 124.3(3) . . ?
O1 Cu1 O2 90.88(8) . . ?
O1 Cu1 N1 171.54(9) . . ?
O2 Cu1 N1 88.89(9) . . ?
O1 Cu1 N2 88.34(9) . . ?
O2 Cu1 N2 169.14(9) . . ?
N1 Cu1 N2 90.29(9) . . ?
O1 Cu1 N3 94.07(8) . 1_455 ?
O2 Cu1 N3 92.07(8) . 1_455 ?
N1 Cu1 N3 94.38(9) . 1_455 ?
N2 Cu1 N3 98.78(9) . 1_455 ?
C18 O2 Cu1 126.55(18) . . ?
C16 O1 Cu1 127.26(18) . . ?
C9 N2 C6 106.4(2) . . ?
C9 N2 Cu1 126.30(19) . . ?
C6 N2 Cu1 126.99(18) . . ?
C1 N1 C4 106.1(2) . . ?
C1 N1 Cu1 126.41(18) . . ?
C4 N1 Cu1 126.84(18) . . ?
C12 N3 C11 118.1(2) . . ?
C12 N3 Cu1 121.67(18) . 1_655 ?
C11 N3 Cu1 119.16(18) . 1_655 ?
C4 C5 C6 125.9(2) . . ?
C4 C5 C10 116.8(2) . . ?
C6 C5 C10 117.3(2) . . ?
N1 C1 C2 111.7(2) . . ?
C8 C7 C6 107.0(2) . . ?
O1 C16 C17 125.1(3) . . ?
O1 C16 C15 115.6(2) . . ?
C17 C16 C15 119.3(3) . . ?
N3 C12 C13 123.2(3) . . ?
O2 C18 C17 125.3(3) . . ?
O2 C18 C19 115.8(2) . . ?
C17 C18 C19 118.9(3) . . ?
N3 C11 C10 122.9(3) . . ?
C7 C8 C9 106.4(2) . . ?
C3 C2 C1 106.2(2) . . ?
C5 C4 N1 123.6(2) . . ?
C5 C4 C3 127.3(3) . . ?
N1 C4 C3 109.1(2) . . ?
N2 C6 C5 123.3(2) . . ?
N2 C6 C7 108.8(2) . . ?
C5 C6 C7 127.8(3) . . ?
C12 C13 C14 118.4(3) . . ?
N2 C9 C8 111.5(2) . . ?
C14 C10 C11 118.2(2) . . ?
C14 C10 C5 122.4(2) . . ?
C11 C10 C5 119.3(2) . . ?
C10 C14 C13 119.2(3) . . ?
C2 C3 C4 106.8(2) . . ?
C16 C17 C18 124.2(3) . . ?
N6 C30 C29 123.0(3) . . ?
C29 C33 C32 119.5(3) . . ?
C33 C29 C30 118.0(3) . . ?
C33 C29 C24 122.4(2) . . ?
C30 C29 C24 119.5(2) . . ?
C31 N6 C30 118.2(2) . . ?
C31 N6 Cu2 122.29(19) . 1_455 ?
C30 N6 Cu2 118.53(19) . 1_455 ?
N6 C31 C32 123.1(3) . . ?
C31 C32 C33 118.1(3) . . ?
Cl1 C39 Cl2 112.3(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu2 O4 1.9461(19) . ?
Cu2 O3 1.9612(19) . ?
Cu2 N4 1.976(2) . ?
Cu2 N5 1.979(2) . ?
Cu2 N6 2.287(2) 1_655 ?
O3 C35 1.278(3) . ?
O4 C37 1.274(3) . ?
N5 C28 1.330(3) . ?
N5 C25 1.403(3) . ?
N4 C20 1.343(3) . ?
N4 C23 1.389(3) . ?
C24 C25 1.392(4) . ?
C24 C23 1.402(4) . ?
C24 C29 1.492(3) . ?
C37 C36 1.391(4) . ?
C37 C38 1.498(4) . ?
C28 C27 1.418(4) . ?
C26 C27 1.376(4) . ?
C26 C25 1.427(4) . ?
C35 C36 1.400(4) . ?
C35 C34 1.506(4) . ?
C23 C22 1.425(4) . ?
C22 C21 1.372(4) . ?
C21 C20 1.419(4) . ?
Cu1 O1 1.9502(19) . ?
Cu1 O2 1.9657(19) . ?
Cu1 N1 1.975(2) . ?
Cu1 N2 1.978(2) . ?
Cu1 N3 2.285(2) 1_455 ?
O2 C18 1.274(3) . ?
O1 C16 1.270(3) . ?
N2 C9 1.340(3) . ?
N2 C6 1.395(3) . ?
N1 C1 1.341(3) . ?
N1 C4 1.397(3) . ?
N3 C12 1.333(4) . ?
N3 C11 1.340(3) . ?
N3 Cu1 2.285(2) 1_655 ?
C5 C4 1.396(4) . ?
C5 C6 1.400(4) . ?
C5 C10 1.497(3) . ?
C1 C2 1.413(4) . ?
C7 C8 1.374(4) . ?
C7 C6 1.428(4) . ?
C16 C17 1.392(4) . ?
C16 C15 1.497(4) . ?
C12 C13 1.382(4) . ?
C18 C17 1.400(4) . ?
C18 C19 1.511(4) . ?
C11 C10 1.390(4) . ?
C8 C9 1.417(4) . ?
C2 C3 1.382(4) . ?
C4 C3 1.421(4) . ?
C13 C14 1.391(4) . ?
C10 C14 1.387(4) . ?
C30 N6 1.340(3) . ?
C30 C29 1.390(4) . ?
C33 C29 1.381(4) . ?
C33 C32 1.397(4) . ?
Cl1 C39 1.704(4) . ?
N6 C31 1.335(4) . ?
N6 Cu2 2.287(2) 1_455 ?
C31 C32 1.383(4) . ?
Cl2 C39 1.808(5) . ?
