#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:08:20 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224192 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/94/7049443.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_7049443
loop_
_publ_author_name
'Nefedov, Sergey E.'
'Birin, Kirill P.'
'Bessmertnykh-Lemeune, Alla'
'Enakieva, Yulia Y.'
'Sinelshchikova, Anna A.'
'Gorbunova, Yulia G.'
'Tsivadze, Aslan Y.'
'Stern, Christine'
'Fang, Yuanyuan'
'Kadish, Karl M.'
_publ_section_title
;
 Coordination self-assembly through weak interactions in
 meso-dialkoxyphosphoryl-substituted zinc porphyrinates.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5372
_journal_page_last               5383
_journal_paper_doi               10.1039/c9dt00706g
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C40 H35 N4 O3 P Zn'
_chemical_formula_weight         716.06
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-23 deposited with the CCDC.    2019-03-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.4139(14)
_cell_length_b                   21.797(3)
_cell_length_c                   26.842(3)
_cell_measurement_reflns_used    3924
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      22.68
_cell_measurement_theta_min      2.15
_cell_volume                     6678.0(14)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1202
_diffrn_reflns_av_unetI/netI     0.0867
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            56745
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.999
_diffrn_reflns_theta_min         1.869
_exptl_absorpt_coefficient_mu    0.830
_exptl_absorpt_correction_T_max  0.688
_exptl_absorpt_correction_T_min  0.644
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_description       prizm
_exptl_crystal_F_000             2976
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.634
_refine_diff_density_min         -1.814
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         8878
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.1366
_refine_ls_R_factor_gt           0.0736
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0670P)²+12.5460P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1661
_refine_ls_wR_factor_ref         0.1946
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5227
_reflns_number_total             8878
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00706g2.cif
_cod_data_source_block           mznh(bu)
_cod_depositor_comments
'Adding full bibliography for 7049441--7049445.cif.'
_cod_database_code               7049443
_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.
;
_shelx_estimated_absorpt_t_min   0.826
_shelx_estimated_absorpt_t_max   0.852
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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 0.53081(4) 0.38044(2) 0.00620(2) 0.02348(15) Uani 1 1 d . . . . .
P1 P 0.72892(11) 0.28302(6) 0.06237(4) 0.0284(3) Uani 1 1 d . . . . .
O1 O 0.6622(3) 0.31551(15) 0.02338(11) 0.0336(8) Uani 1 1 d . . . . .
O2 O 0.8059(3) 0.32700(15) 0.09509(11) 0.0331(8) Uani 1 1 d . . . . .
O3 O 0.6512(3) 0.25544(16) 0.10541(12) 0.0391(8) Uani 1 1 d . . . . .
N1 N 0.6337(3) 0.44517(18) -0.02930(12) 0.0278(8) Uani 1 1 d . . . . .
N2 N 0.5426(3) 0.43126(17) 0.07104(12) 0.0256(8) Uani 1 1 d . . . . .
N3 N 0.3890(3) 0.33420(17) 0.03565(11) 0.0250(8) Uani 1 1 d . . . . .
N4 N 0.4871(3) 0.34517(17) -0.06263(12) 0.0248(8) Uani 1 1 d . . . . .
C1 C 0.6742(4) 0.4427(2) -0.07709(16) 0.0360(12) Uani 1 1 d . . . . .
C2 C 0.7575(5) 0.4922(3) -0.08451(18) 0.0591(18) Uani 1 1 d . . . . .
H2A H 0.8002 0.5004 -0.1142 0.071 Uiso 1 1 calc R U . . .
C3 C 0.7634(6) 0.5243(3) -0.04190(19) 0.0611(19) Uani 1 1 d . . . . .
H3A H 0.8092 0.5599 -0.0360 0.073 Uiso 1 1 calc R U . . .
C4 C 0.6870(5) 0.4944(2) -0.00702(17) 0.0394(12) Uani 1 1 d . . . . .
C5 C 0.6752(5) 0.5117(2) 0.04263(17) 0.0379(12) Uani 1 1 d . . . . .
H5A H 0.7154 0.5478 0.0526 0.046 Uiso 1 1 calc R U . . .
C6 C 0.6110(4) 0.4816(2) 0.07902(16) 0.0315(10) Uani 1 1 d . . . . .
C7 C 0.6098(4) 0.4976(2) 0.13102(17) 0.0335(11) Uani 1 1 d . . . . .
H7A H 0.6496 0.5310 0.1461 0.040 Uiso 1 1 calc R U . . .
C8 C 0.5411(4) 0.4559(2) 0.15420(16) 0.0296(10) Uani 1 1 d . . . . .
H8A H 0.5250 0.4538 0.1889 0.036 Uiso 1 1 calc R U . . .
C9 C 0.4969(4) 0.4153(2) 0.11604(15) 0.0262(10) Uani 1 1 d . . . . .
C10 C 0.4106(4) 0.3698(2) 0.12300(14) 0.0242(9) Uani 1 1 d . . . . .
C11 C 0.3732(4) 0.3573(2) 0.17566(14) 0.0257(9) Uani 1 1 d . . . . .
C12 C 0.2682(4) 0.3789(2) 0.19387(15) 0.0310(10) Uani 1 1 d . . . . .
H12A H 0.2186 0.4028 0.1731 0.037 Uiso 1 1 calc R U . . .
C13 C 0.2338(5) 0.3659(2) 0.24298(16) 0.0382(12) Uani 1 1 d . . . . .
H13A H 0.1614 0.3811 0.2552 0.046 Uiso 1 1 calc R U . . .
C14 C 0.3043(5) 0.3314(2) 0.27328(16) 0.0390(12) Uani 1 1 d . . . . .
H14A H 0.2802 0.3220 0.3063 0.047 Uiso 1 1 calc R U . . .
C15 C 0.4103(5) 0.3102(3) 0.25565(17) 0.0420(13) Uani 1 1 d . . . . .
H15A H 0.4599 0.2871 0.2770 0.050 Uiso 1 1 calc R U . . .
C16 C 0.4456(4) 0.3224(2) 0.20674(16) 0.0334(11) Uani 1 1 d . . . . .
H16A H 0.5183 0.3071 0.1947 0.040 Uiso 1 1 calc R U . . .
C17 C 0.3565(4) 0.3358(2) 0.08546(14) 0.0257(9) Uani 1 1 d . . . . .
C18 C 0.2591(4) 0.2953(2) 0.09322(15) 0.0295(10) Uani 1 1 d . . . . .
H18A H 0.2211 0.2878 0.1241 0.035 Uiso 1 1 calc R U . . .
C19 C 0.2308(4) 0.2697(2) 0.04912(15) 0.0323(11) Uani 1 1 d . . . . .
H19A H 0.1685 0.2418 0.0428 0.039 Uiso 1 1 calc R U . . .
C20 C 0.3150(4) 0.2934(2) 0.01303(14) 0.0255(9) Uani 1 1 d . . . . .
C21 C 0.8227(4) 0.2231(2) 0.03832(14) 0.0270(10) Uani 1 1 d . . . . .
C22 C 0.4020(4) 0.3033(2) -0.07343(14) 0.0276(10) Uani 1 1 d . . . . .
C23 C 0.4040(5) 0.2902(2) -0.12649(16) 0.0378(12) Uani 1 1 d . . . . .
H23A H 0.3512 0.2637 -0.1441 0.045 Uiso 1 1 d R U . . .
C24 C 0.4928(5) 0.3227(2) -0.14606(16) 0.0378(12) Uani 1 1 d . . . . .
H24A H 0.5166 0.3226 -0.1800 0.045 Uiso 1 1 calc R U . . .
C25 C 0.5453(4) 0.3578(2) -0.10642(15) 0.0282(10) Uani 1 1 d . . . . .
C26 C 0.6366(4) 0.3998(2) -0.11317(15) 0.0291(10) Uani 1 1 d . . . . .
C27 C 0.6962(6) 0.4007(3) -0.1632(2) 0.0627(8) Uani 1 1 d . . . . .
C28 C 0.7002(6) 0.4521(3) -0.1930(2) 0.0627(8) Uani 1 1 d . . . . .
H28A H 0.6614 0.4883 -0.1823 0.075 Uiso 1 1 calc R U . . .
C29 C 0.7597(6) 0.4523(3) -0.2382(2) 0.0627(8) Uani 1 1 d . . . . .
H29A H 0.7622 0.4885 -0.2578 0.075 Uiso 1 1 calc R U . . .
C30 C 0.8136(6) 0.4012(3) -0.2542(2) 0.0627(8) Uani 1 1 d . . . . .
H30A H 0.8516 0.4006 -0.2857 0.075 Uiso 1 1 calc R U . . .
C31 C 0.8133(6) 0.3495(3) -0.2243(2) 0.0627(8) Uani 1 1 d . . . . .
H31A H 0.8550 0.3139 -0.2345 0.075 Uiso 1 1 calc R U . . .
C32 C 0.7523(6) 0.3492(3) -0.1793(2) 0.0627(8) Uani 1 1 d . . . . .
H32A H 0.7498 0.3129 -0.1598 0.075 Uiso 1 1 calc R U . . .
C33 C 0.8987(5) 0.3615(3) 0.07166(19) 0.0485(14) Uani 1 1 d . . . . .
H33A H 0.8655 0.3933 0.0494 0.058 Uiso 1 1 calc R U . . .
H33B H 0.9491 0.3340 0.0516 0.058 Uiso 1 1 calc R U . . .
C34 C 0.9701(5) 0.3915(3) 0.1135(2) 0.0477(14) Uani 1 1 d . . . . .
H34A H 0.9920 0.3597 0.1382 0.057 Uiso 1 1 calc R U . . .
H34B H 1.0434 0.4084 0.0993 0.057 Uiso 1 1 calc R U . . .
C35 C 0.9051(5) 0.4420(3) 0.1397(2) 0.0466(13) Uani 1 1 d . . . . .
H35A H 0.8284 0.4263 0.1512 0.056 Uiso 1 1 calc R U . . .
H35B H 0.8902 0.4758 0.1159 0.056 Uiso 1 1 calc R U . . .
C36 C 0.9739(5) 0.4670(3) 0.1845(2) 0.0533(15) Uani 1 1 d . . . . .
H36A H 0.9288 0.4997 0.2005 0.080 Uiso 1 1 calc R U . . .
H36B H 0.9876 0.4338 0.2084 0.080 Uiso 1 1 calc R U . . .
H36C H 1.0493 0.4833 0.1731 0.080 Uiso 1 1 calc R U . . .
C37 C 0.5553(8) 0.2134(4) 0.0906(4) 0.1009(17) Uani 1 1 d . . . . .
H37A H 0.4810 0.2270 0.1062 0.121 Uiso 1 1 d R U . . .
H37B H 0.5451 0.2147 0.0540 0.121 Uiso 1 1 d R U . . .
C38 C 0.5813(9) 0.1524(4) 0.1059(4) 0.1009(17) Uani 1 1 d . . . . .
C39A C 0.4833(14) 0.1100(7) 0.0909(6) 0.1009(17) Uani 0.6 1 d . . P A .
H39A H 0.4718 0.0781 0.1167 0.121 Uiso 0.6 1 calc R U P . .
H39B H 0.4094 0.1333 0.0874 0.121 Uiso 0.6 1 calc R U P . .
C40A C 0.5141(14) 0.0818(7) 0.0440(6) 0.1009(17) Uani 0.6 1 d . . P . .
H40A H 0.4538 0.0518 0.0348 0.151 Uiso 0.6 1 calc R U P A .
H40B H 0.5898 0.0610 0.0473 0.151 Uiso 0.6 1 calc R U P . .
H40C H 0.5194 0.1134 0.0182 0.151 Uiso 0.6 1 calc R U P . .
C39B C 0.622(2) 0.1260(10) 0.1426(9) 0.1009(17) Uani 0.4 1 d . . P A 2
H39C H 0.7053 0.1379 0.1475 0.121 Uiso 0.4 1 calc R U P A 2
H39D H 0.6188 0.0810 0.1379 0.121 Uiso 0.4 1 calc R U P A 2
C40B C 0.555(2) 0.1436(10) 0.1839(9) 0.1009(17) Uani 0.4 1 d . . P A 2
H40D H 0.6002 0.1369 0.2145 0.151 Uiso 0.4 1 calc R U P A 2
H40E H 0.4832 0.1189 0.1851 0.151 Uiso 0.4 1 calc R U P A 2
H40F H 0.5345 0.1871 0.1811 0.151 Uiso 0.4 1 calc R U 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 0.0033 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
N4 Zn1 N3 88.35(13) . .
N4 Zn1 N2 165.84(14) . .
N3 Zn1 N2 89.46(13) . .
N4 Zn1 N1 88.79(14) . .
N3 Zn1 N1 162.69(15) . .
N2 Zn1 N1 89.16(14) . .
N4 Zn1 O1 96.75(13) . .
N3 Zn1 O1 98.39(14) . .
N2 Zn1 O1 97.41(13) . .
N1 Zn1 O1 98.90(14) . .
O1 P1 O2 113.14(19) . .
O1 P1 O3 114.4(2) . .
O2 P1 O3 97.93(18) . .
O1 P1 C21 113.53(18) . .
O2 P1 C21 108.0(2) . .
O3 P1 C21 108.6(2) . .
P1 O1 Zn1 147.42(19) . .
C33 O2 P1 119.0(3) . .
C37 O3 P1 117.1(4) . .
C1 N1 C4 106.9(4) . .
C1 N1 Zn1 126.7(3) . .
C4 N1 Zn1 125.8(3) . .
C9 N2 C6 106.6(4) . .
C9 N2 Zn1 125.8(3) . .
C6 N2 Zn1 126.9(3) . .
C20 N3 C17 106.2(3) . .
C20 N3 Zn1 129.2(3) . .
C17 N3 Zn1 124.4(3) . .
C22 N4 C25 107.2(3) . .
C22 N4 Zn1 127.8(3) . .
C25 N4 Zn1 125.0(3) . .
N1 C1 C26 124.6(4) . .
N1 C1 C2 108.7(4) . .
C26 C1 C2 126.7(4) . .
C3 C2 C1 107.7(5) . .
C2 C3 C4 106.8(5) . .
N1 C4 C5 125.9(4) . .
N1 C4 C3 109.9(4) . .
C5 C4 C3 124.1(5) . .
C6 C5 C4 126.7(5) . .
N2 C6 C5 124.9(4) . .
N2 C6 C7 110.0(4) . .
C5 C6 C7 125.0(4) . .
C8 C7 C6 106.8(4) . .
C7 C8 C9 106.7(4) . .
N2 C9 C10 124.4(4) . .
N2 C9 C8 109.8(4) . .
C10 C9 C8 125.5(4) . .
C17 C10 C9 125.9(4) . .
C17 C10 C11 117.3(4) . .
C9 C10 C11 116.8(4) . .
C12 C11 C16 119.2(4) . .
C12 C11 C10 121.3(4) . .
C16 C11 C10 119.5(4) . .
C11 C12 C13 120.4(4) . .
C14 C13 C12 120.3(5) . .
C13 C14 C15 119.7(4) . .
C14 C15 C16 120.8(5) . .
C15 C16 C11 119.5(5) . .
N3 C17 C10 126.3(4) . .
N3 C17 C18 109.3(4) . .
C10 C17 C18 124.4(4) . .
C19 C18 C17 108.2(4) . .
C18 C19 C20 106.2(4) . .
N3 C20 C21 123.7(4) . 4_455
N3 C20 C19 110.0(3) . .
C21 C20 C19 126.3(4) 4_455 .
C20 C21 C22 125.1(4) 4 4
C20 C21 P1 119.4(3) 4 .
C22 C21 P1 115.5(3) 4 .
N4 C22 C21 125.5(4) . 4_455
N4 C22 C23 109.3(4) . .
C21 C22 C23 125.2(4) 4_455 .
C24 C23 C22 106.9(4) . .
C23 C24 C25 107.8(4) . .
N4 C25 C26 126.9(4) . .
N4 C25 C24 108.8(4) . .
C26 C25 C24 124.2(4) . .
C25 C26 C1 124.8(4) . .
C25 C26 C27 117.4(5) . .
C1 C26 C27 117.7(5) . .
C32 C27 C28 118.1(5) . .
C32 C27 C26 119.0(5) . .
C28 C27 C26 122.9(5) . .
C27 C28 C29 121.7(6) . .
C30 C29 C28 120.0(5) . .
C29 C30 C31 119.3(5) . .
C30 C31 C32 120.5(6) . .
C27 C32 C31 120.4(5) . .
O2 C33 C34 107.0(4) . .
C35 C34 C33 113.1(5) . .
C34 C35 C36 111.9(5) . .
C38 C37 O3 110.3(8) . .
C39B C38 C37 138.2(15) . .
C39B C38 C39A 102.0(14) . .
C37 C38 C39A 110.0(10) . .
C40A C39A C38 108.3(12) . .
C38 C39B C40B 107(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N4 2.062(3) .
Zn1 N3 2.064(4) .
Zn1 N2 2.067(3) .
Zn1 N1 2.068(4) .
Zn1 O1 2.113(3) .
P1 O1 1.475(3) .
P1 O2 1.569(3) .
P1 O3 1.575(3) .
P1 C21 1.808(4) .
O2 C33 1.443(6) .
O3 C37 1.481(9) .
N1 C1 1.365(5) .
N1 C4 1.371(6) .
N2 C9 1.361(5) .
N2 C6 1.363(6) .
N3 C20 1.368(5) .
N3 C17 1.388(5) .
N4 C22 1.363(6) .
N4 C25 1.378(5) .
C1 C26 1.413(7) .
C1 C2 1.453(7) .
C2 C3 1.342(8) .
C3 C4 1.436(7) .
C4 C5 1.391(6) .
C5 C6 1.386(6) .
C6 C7 1.439(6) .
C7 C8 1.351(6) .
C8 C9 1.445(6) .
C9 C10 1.411(6) .
C10 C17 1.394(6) .
C10 C11 1.501(5) .
C11 C12 1.378(6) .
C11 C16 1.399(6) .
C12 C13 1.404(6) .
C13 C14 1.369(7) .
C14 C15 1.379(7) .
C15 C16 1.399(6) .
C17 C18 1.436(6) .
C18 C19 1.348(6) .
C19 C20 1.460(6) .
C20 C21 1.427(5) 4_455
C21 C20 1.427(5) 4
C21 C22 1.428(6) 4
C22 C21 1.428(6) 4_455
C22 C23 1.453(6) .
C23 C24 1.343(7) .
C24 C25 1.441(6) .
C25 C26 1.398(7) .
C26 C27 1.505(6) .
C27 C32 1.363(8) .
C27 C28 1.376(8) .
C28 C29 1.392(7) .
C29 C30 1.342(8) .
C30 C31 1.383(8) .
C31 C32 1.395(7) .
C33 C34 1.535(8) .
C34 C35 1.502(8) .
C35 C36 1.536(8) .
C37 C38 1.422(12) .
C38 C39B 1.23(2) .
C38 C39A 1.507(17) .
C39A C40A 1.44(2) .
C39B C40B 1.40(3) .
