#------------------------------------------------------------------------------
#$Date: 2015-12-07 22:18:28 +0200 (Mon, 07 Dec 2015) $
#$Revision: 170870 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/75/7037557.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_7037557
loop_
_publ_author_name
'Huang, Xing-Cai'
'Zhang, Ming'
'Wu, Dayu'
'Shao, Dong'
'Zhao, Xin-Hua'
'Huang, Wei'
'Wang, Xin-Yi'
_publ_section_title
;
 Single molecule magnet behavior observed in a 1-D dysprosium chain with
 quasi-D5h symmetry.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              20834
_journal_page_last               20838
_journal_paper_doi               10.1039/c5dt04147c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C32 H33 Cl Gd N3 Na O8 P'
_chemical_formula_weight         834.27
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-10-20 deposited with the CCDC.
2015-11-11 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.267(3)
_cell_length_b                   8.4192(13)
_cell_length_c                   36.839(6)
_cell_measurement_reflns_used    9716
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.26
_cell_measurement_theta_min      2.64
_cell_volume                     6906.2(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker Apex II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    Diamond
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Apex II'
_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  0.0438
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            42211
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    2.110
_exptl_absorpt_correction_T_max  0.5896
_exptl_absorpt_correction_T_min  0.5517
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS: Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3336
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.821
_refine_diff_density_min         -2.064
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.173
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         7834
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.173
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0415
_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)+(0.0153P)²+11.8957P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0738
_refine_ls_wR_factor_ref         0.0778
_reflns_number_gt                6370
_reflns_number_total             7834
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04147c2.cif
_cod_data_source_block           3-GdvaldienPONa
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_cell_volume        6906.3(18)
_cod_original_sg_symbol_H-M      'Pbca '
_cod_database_code               7037557
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -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
Gd1 Gd 0.518237(9) 1.04488(2) 0.143472(5) 0.03196(6) Uani 1 1 d .
C13 C 0.6798(2) 0.9264(5) 0.17140(12) 0.0471(11) Uani 1 1 d .
C17 C 0.6404(2) 0.7242(5) 0.21180(11) 0.0458(11) Uani 1 1 d .
C18 C 0.6300(2) 0.8438(5) 0.18463(11) 0.0408(10) Uani 1 1 d .
C15 C 0.7461(3) 0.7791(7) 0.21078(16) 0.0750(17) Uani 1 1 d .
H15 H 0.7845 0.7582 0.2195 0.090 Uiso 1 1 calc R
C14 C 0.7379(2) 0.8911(6) 0.18426(15) 0.0624(14) Uani 1 1 d .
H14 H 0.7709 0.9442 0.1747 0.075 Uiso 1 1 calc R
C16 C 0.6975(3) 0.6968(6) 0.22469(14) 0.0659(15) Uani 1 1 d .
H16 H 0.7035 0.6221 0.2429 0.079 Uiso 1 1 calc R
O1 O 0.41346(15) 0.6416(4) 0.20676(8) 0.0550(8) Uani 1 1 d .
O2 O 0.58941(16) 0.6471(4) 0.22252(8) 0.0577(9) Uani 1 1 d .
N3 N 0.62711(17) 1.1222(4) 0.13335(9) 0.0454(9) Uani 1 1 d .
C12 C 0.6749(2) 1.0582(5) 0.14579(13) 0.0496(11) Uani 1 1 d .
H12 H 0.7110 1.1006 0.1375 0.060 Uiso 1 1 calc R
C10 C 0.5890(2) 1.2499(5) 0.07885(12) 0.0512(12) Uani 1 1 d .
H10A H 0.5939 1.3400 0.0627 0.061 Uiso 1 1 calc R
H10B H 0.5944 1.1535 0.0648 0.061 Uiso 1 1 calc R
C11 C 0.6349(2) 1.2572(6) 0.10871(13) 0.0560(12) Uani 1 1 d .
H11A H 0.6750 1.2547 0.0983 0.067 Uiso 1 1 calc R
H11B H 0.6305 1.3557 0.1221 0.067 Uiso 1 1 calc R
N2 N 0.52874(16) 1.2524(4) 0.09479(9) 0.0396(8) Uani 1 1 d .
H2 H 0.5243 1.3485 0.1058 0.048 Uiso 1 1 calc R
C9 C 0.4794(2) 1.2367(5) 0.06860(12) 0.0509(11) Uani 1 1 d .
H9A H 0.4821 1.1352 0.0562 0.061 Uiso 1 1 calc R
H9B H 0.4820 1.3204 0.0506 0.061 Uiso 1 1 calc R
C8 C 0.4207(2) 1.2482(6) 0.08859(14) 0.0621(14) Uani 1 1 d .
H8A H 0.4176 1.3512 0.1002 0.075 Uiso 1 1 calc R
H8B H 0.3877 1.2380 0.0716 0.075 Uiso 1 1 calc R
N1 N 0.41683(17) 1.1215(4) 0.11619(10) 0.0454(9) Uani 1 1 d .
C7 C 0.3643(2) 1.0718(5) 0.12408(12) 0.0504(11) Uani 1 1 d .
H7 H 0.3326 1.1203 0.1119 0.060 Uiso 1 1 calc R
C1 C 0.3907(2) 0.8530(5) 0.16796(11) 0.0392(9) Uani 1 1 d .
C6 C 0.3480(2) 0.9481(5) 0.14993(12) 0.0458(10) Uani 1 1 d .
C5 C 0.2858(2) 0.9199(6) 0.15565(15) 0.0602(13) Uani 1 1 d .
H5 H 0.2577 0.9814 0.1434 0.072 Uiso 1 1 calc R
C2 C 0.3689(2) 0.7306(5) 0.19098(12) 0.0445(10) Uani 1 1 d .
C4 C 0.2667(2) 0.8046(7) 0.17879(16) 0.0698(16) Uani 1 1 d .
H4 H 0.2258 0.7902 0.1829 0.084 Uiso 1 1 calc R
C3 C 0.3083(2) 0.7083(6) 0.19628(14) 0.0607(14) Uani 1 1 d .
H3 H 0.2951 0.6281 0.2117 0.073 Uiso 1 1 calc R
Cl1 Cl 0.50966(8) 1.29646(14) 0.18728(3) 0.0745(4) Uani 1 1 d .
O4 O 0.44896(13) 0.8710(3) 0.16391(7) 0.0412(7) Uani 1 1 d .
O3 O 0.57456(13) 0.8716(3) 0.17445(7) 0.0434(7) Uani 1 1 d .
P1 P 0.53733(5) 0.71263(12) 0.08485(3) 0.0356(2) Uani 1 1 d .
O6 O 0.52807(14) 0.5959(3) 0.11401(7) 0.0452(7) Uani 1 1 d .
O5 O 0.52924(13) 0.8864(3) 0.09216(7) 0.0379(6) Uani 1 1 d .
O8 O 0.60246(13) 0.6845(3) 0.06752(8) 0.0458(7) Uani 1 1 d .
O7 O 0.49761(13) 0.6659(3) 0.04961(8) 0.0446(7) Uani 1 1 d .
C21 C 0.4355(2) 0.6467(5) 0.05010(11) 0.0406(10) Uani 1 1 d .
C22 C 0.3993(2) 0.6963(5) 0.07816(12) 0.0495(11) Uani 1 1 d .
H22 H 0.4157 0.7481 0.0981 0.059 Uiso 1 1 calc R
C26 C 0.4115(2) 0.5714(5) 0.02025(11) 0.0489(11) Uani 1 1 d .
H26 H 0.4362 0.5381 0.0014 0.059 Uiso 1 1 calc R
C25 C 0.3507(2) 0.5463(7) 0.01878(15) 0.0694(15) Uani 1 1 d .
H25 H 0.3340 0.4970 -0.0014 0.083 Uiso 1 1 calc R
C24 C 0.3142(2) 0.5934(7) 0.04696(17) 0.0748(17) Uani 1 1 d .
H24 H 0.2731 0.5739 0.0460 0.090 Uiso 1 1 calc R
C23 C 0.3382(2) 0.6685(6) 0.07632(15) 0.0652(14) Uani 1 1 d .
H23 H 0.3134 0.7012 0.0952 0.078 Uiso 1 1 calc R
C28 C 0.6876(2) 0.8531(6) 0.06518(15) 0.0602(13) Uani 1 1 d .
H28 H 0.7013 0.8068 0.0866 0.072 Uiso 1 1 calc R
C30 C 0.7002(3) 1.0398(7) 0.0177(2) 0.0816(19) Uani 1 1 d .
H30 H 0.7223 1.1210 0.0070 0.098 Uiso 1 1 calc R
C29 C 0.7204(3) 0.9705(7) 0.04857(19) 0.0790(17) Uani 1 1 d .
H29 H 0.7568 1.0027 0.0586 0.095 Uiso 1 1 calc R
C27 C 0.6341(2) 0.8047(5) 0.04986(12) 0.0433(10) Uani 1 1 d .
C31 C 0.6470(3) 0.9909(7) 0.00204(16) 0.0766(18) Uani 1 1 d .
H31 H 0.6336 1.0378 -0.0193 0.092 Uiso 1 1 calc R
C32 C 0.6135(2) 0.8710(6) 0.01835(13) 0.0595(13) Uani 1 1 d .
H32 H 0.5777 0.8365 0.0080 0.071 Uiso 1 1 calc R
C20 C 0.5944(3) 0.5369(6) 0.25186(14) 0.0772(17) Uani 1 1 d .
H20A H 0.6208 0.4519 0.2450 0.116 Uiso 1 1 calc R
H20B H 0.5554 0.4947 0.2575 0.116 Uiso 1 1 calc R
H20C H 0.6103 0.5902 0.2728 0.116 Uiso 1 1 calc R
C19 C 0.3964(3) 0.5294(7) 0.23406(16) 0.085(2) Uani 1 1 d .
H19A H 0.3744 0.5827 0.2528 0.128 Uiso 1 1 calc R
H19B H 0.4318 0.4817 0.2442 0.128 Uiso 1 1 calc R
H19C H 0.3717 0.4484 0.2234 0.128 Uiso 1 1 calc R
Na1 Na 0.51056(8) 0.63796(19) 0.17695(4) 0.0450(4) Uani 1 1 d .
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'
Na Na 0.0362 0.0249 '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'
Gd Gd -0.1653 3.9035 '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'
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
O3 Gd1 O4 77.88(10) . .
O3 Gd1 O5 88.94(10) . .
O4 Gd1 O5 88.34(10) . .
O3 Gd1 N2 139.89(11) . .
O4 Gd1 N2 138.80(11) . .
O5 Gd1 N2 79.00(10) . .
O3 Gd1 N3 72.94(11) . .
O4 Gd1 N3 150.32(11) . .
O5 Gd1 N3 85.83(11) . .
N2 Gd1 N3 68.17(11) . .
O3 Gd1 N1 149.44(11) . .
O4 Gd1 N1 71.99(11) . .
O5 Gd1 N1 85.32(11) . .
N2 Gd1 N1 68.04(12) . .
N3 Gd1 N1 136.20(12) . .
O3 Gd1 Cl1 104.42(8) . .
O4 Gd1 Cl1 105.31(8) . .
O5 Gd1 Cl1 162.49(7) . .
N2 Gd1 Cl1 83.49(8) . .
N3 Gd1 Cl1 87.34(9) . .
N1 Gd1 Cl1 88.52(9) . .
O3 Gd1 Na1 40.60(8) . .
O4 Gd1 Na1 40.99(8) . .
O5 Gd1 Na1 74.97(7) . .
N2 Gd1 Na1 153.98(8) . .
N3 Gd1 Na1 109.61(9) . .
N1 Gd1 Na1 109.22(9) . .
Cl1 Gd1 Na1 122.53(4) . .
C18 C13 C14 120.4(4) . .
C18 C13 C12 123.1(4) . .
C14 C13 C12 116.4(4) . .
O2 C17 C16 126.1(4) . .
O2 C17 C18 113.6(4) . .
C16 C17 C18 120.4(5) . .
O3 C18 C13 123.9(4) . .
O3 C18 C17 118.4(4) . .
C13 C18 C17 117.7(4) . .
C14 C15 C16 120.3(5) . .
C15 C14 C13 120.5(5) . .
C17 C16 C15 120.7(5) . .
C2 O1 C19 117.8(4) . .
C2 O1 Na1 117.4(2) . .
C19 O1 Na1 123.1(3) . .
C17 O2 C20 117.6(4) . .
C17 O2 Na1 114.6(2) . .
C20 O2 Na1 123.9(3) . .
C12 N3 C11 116.8(4) . .
C12 N3 Gd1 129.4(3) . .
C11 N3 Gd1 113.8(3) . .
N3 C12 C13 127.8(4) . .
N2 C10 C11 109.2(4) . .
N3 C11 C10 109.9(4) . .
C10 N2 C9 114.9(3) . .
C10 N2 Gd1 111.2(2) . .
C9 N2 Gd1 109.7(2) . .
N2 C9 C8 108.8(4) . .
N1 C8 C9 110.0(4) . .
C7 N1 C8 116.6(4) . .
C7 N1 Gd1 129.6(3) . .
C8 N1 Gd1 113.7(3) . .
N1 C7 C6 127.7(4) . .
O4 C1 C6 123.2(4) . .
O4 C1 C2 119.2(4) . .
C6 C1 C2 117.6(4) . .
C1 C6 C5 119.5(4) . .
C1 C6 C7 123.1(4) . .
C5 C6 C7 117.3(4) . .
C4 C5 C6 121.2(5) . .
O1 C2 C3 125.1(4) . .
O1 C2 C1 113.7(4) . .
C3 C2 C1 121.2(5) . .
C5 C4 C3 119.8(5) . .
C2 C3 C4 120.6(5) . .
Gd1 Cl1 Na1 134.96(6) . 1_565
C1 O4 Gd1 141.9(3) . .
C1 O4 Na1 116.1(2) . .
Gd1 O4 Na1 101.71(12) . .
C18 O3 Gd1 142.2(3) . .
C18 O3 Na1 113.4(2) . .
Gd1 O3 Na1 102.61(12) . .
O6 P1 O5 120.28(16) . .
O6 P1 O8 108.60(17) . .
O5 P1 O8 108.97(16) . .
O6 P1 O7 110.27(16) . .
O5 P1 O7 108.41(16) . .
O8 P1 O7 98.00(16) . .
P1 O6 Na1 129.47(16) . .
P1 O5 Gd1 135.96(15) . .
C27 O8 P1 122.4(2) . .
C21 O7 P1 124.1(2) . .
C22 C21 C26 120.8(4) . .
C22 C21 O7 123.8(4) . .
C26 C21 O7 115.4(4) . .
C21 C22 C23 119.3(4) . .
C25 C26 C21 119.1(4) . .
C26 C25 C24 120.6(5) . .
C23 C24 C25 120.0(5) . .
C24 C23 C22 120.3(5) . .
C29 C28 C27 119.3(5) . .
C29 C30 C31 120.5(6) . .
C30 C29 C28 120.4(6) . .
C32 C27 C28 121.1(5) . .
C32 C27 O8 121.5(4) . .
C28 C27 O8 117.4(4) . .
C30 C31 C32 119.8(6) . .
C27 C32 C31 118.8(5) . .
O6 Na1 O1 126.13(13) . .
O6 Na1 O2 124.04(13) . .
O1 Na1 O2 109.33(13) . .
O6 Na1 O3 89.29(11) . .
O1 Na1 O3 121.97(12) . .
O2 Na1 O3 64.97(11) . .
O6 Na1 O4 91.15(11) . .
O1 Na1 O4 65.04(10) . .
O2 Na1 O4 121.08(12) . .
O3 Na1 O4 70.83(10) . .
O6 Na1 Cl1 88.93(8) . 1_545
O1 Na1 Cl1 86.97(9) . 1_545
O2 Na1 Cl1 86.89(9) . 1_545
O3 Na1 Cl1 144.21(10) . 1_545
O4 Na1 Cl1 144.94(11) . 1_545
O6 Na1 Gd1 78.61(7) . .
O1 Na1 Gd1 100.55(9) . .
O2 Na1 Gd1 99.79(9) . .
O3 Na1 Gd1 36.79(7) . .
O4 Na1 Gd1 37.30(7) . .
Cl1 Na1 Gd1 167.54(6) 1_545 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O3 2.237(3) .
Gd1 O4 2.256(3) .
Gd1 O5 2.327(3) .
Gd1 N2 2.515(3) .
Gd1 N3 2.538(4) .
Gd1 N1 2.554(4) .
Gd1 Cl1 2.6698(12) .
Gd1 Na1 3.6452(16) .
C13 C18 1.396(6) .
C13 C14 1.410(6) .
C13 C12 1.460(6) .
C17 O2 1.366(6) .
C17 C16 1.376(7) .
C17 C18 1.439(6) .
C18 O3 1.312(5) .
C15 C14 1.370(7) .
C15 C16 1.384(8) .
O1 C2 1.372(5) .
O1 C19 1.431(5) .
O1 Na1 2.425(4) .
O2 C20 1.429(5) .
O2 Na1 2.430(4) .
N3 C12 1.279(5) .
N3 C11 1.465(5) .
C10 N2 1.464(5) .
C10 C11 1.504(6) .
N2 C9 1.468(5) .
C9 C8 1.502(7) .
C8 N1 1.476(5) .
N1 C7 1.277(6) .
C7 C6 1.457(6) .
C1 O4 1.315(5) .
C1 C6 1.409(6) .
C1 C2 1.420(6) .
C6 C5 1.420(6) .
C5 C4 1.361(7) .
C2 C3 1.376(6) .
C4 C3 1.390(7) .
Cl1 Na1 2.900(2) 1_565
O4 Na1 2.442(3) .
O3 Na1 2.431(3) .
P1 O6 1.471(3) .
P1 O5 1.498(3) .
P1 O8 1.602(3) .
P1 O7 1.619(3) .
O6 Na1 2.378(3) .
O8 C27 1.395(5) .
O7 C21 1.392(5) .
C21 C22 1.376(6) .
C21 C26 1.377(6) .
C22 C23 1.381(6) .
C26 C25 1.372(7) .
C25 C24 1.377(7) .
C24 C23 1.362(7) .
C28 C29 1.373(7) .
C28 C27 1.379(6) .
C30 C29 1.356(9) .
C30 C31 1.380(9) .
C27 C32 1.367(6) .
C31 C32 1.392(7) .
Na1 Cl1 2.900(2) 1_545
