#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/83/2208317.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2208317
loop_
_publ_author_name
'Vázquez, Jaime'
'Bernès, Sylvain'
'Hernández, Guadalupe'
'Aguilar, Hilda'
'Gutiérrez, René'
_publ_section_title
trans-Dichlorobis[(S)-(--)-1-(1-naphthyl)ethylamine]palladium(II)
_journal_coeditor_code           FL6203
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m502
_journal_page_last               m504
_journal_paper_doi               10.1107/S1600536805041164
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pd Cl2 (C12 H13 N2)2]'
_chemical_formula_moiety         'C24 H26 Cl2 N2 Pd'
_chemical_formula_sum            'C24 H26 Cl2 N2 Pd'
_chemical_formula_weight         519.77
_chemical_melting_point          502.0(10)
_chemical_name_systematic
;
trans-Dichlorobis[(S)-(-)-1-(1-naphthyl)ethylamine]palladium(II)
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   'See text'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 102.893(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   35.310(3)
_cell_length_b                   6.7996(7)
_cell_length_c                   9.7193(7)
_cell_measurement_reflns_used    94
_cell_measurement_temperature    296.0(10)
_cell_measurement_theta_max      13.56
_cell_measurement_theta_min      4.70
_cell_volume                     2274.7(3)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1996)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  SHELXTL-Plus
_computing_structure_refinement  SHELXTL-Plus
_computing_structure_solution    'SHELXTL-Plus (Sheldrick, 1998)'
_diffrn_ambient_temperature      296.0(10)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6025
_diffrn_reflns_theta_full        29.99
_diffrn_reflns_theta_max         29.99
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 48
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.063
_exptl_absorpt_correction_T_max  0.920
_exptl_absorpt_correction_T_min  0.566
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(XSCANS; Siemens, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.355
_refine_diff_density_min         -1.024
_refine_ls_abs_structure_details 'Flack (1983), 2217 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         5769
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0279
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0504P)²+0.3281P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0739
_refine_ls_wR_factor_ref         0.0747
_reflns_number_gt                5658
_reflns_number_total             5769
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fl6203.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_chemical_melting_point' value '501-503' was changed to '502.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '501-503' was changed to '502.0(10)'
- the average value was taken and precision was
estimated.

'_symmetry_cell_setting' value 'Monoclinic' changed to
'monoclinic' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               2208317
_cod_database_fobs_code          2208317
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Pd Pd1 0.495349(4) 0.31324(4) 0.162605(14) 0.02863(5) Uani d . 1
Cl Cl1 0.45490(2) 0.04223(11) 0.13398(8) 0.03943(15) Uani d . 1
Cl Cl2 0.53499(2) 0.58458(12) 0.19487(9) 0.04372(16) Uani d . 1
N N1 0.44808(6) 0.4992(4) 0.1243(2) 0.0325(4) Uani d D 1
H H1A 0.4571(11) 0.617(4) 0.125(5) 0.049 Uiso d D 1
H H1B 0.4350(9) 0.483(6) 0.042(2) 0.049 Uiso d D 1
C C2 0.42371(7) 0.4965(4) 0.2325(2) 0.0329(4) Uani d . 1
H H2A 0.4177 0.3588 0.2485 0.039 Uiso calc R 1
C C3 0.38533(7) 0.6030(4) 0.1787(3) 0.0352(5) Uani d . 1
C C4 0.35585(7) 0.5138(4) 0.0709(3) 0.0361(5) Uani d . 1
C C5 0.36046(7) 0.3298(6) 0.0083(3) 0.0447(6) Uani d . 1
H H5A 0.3835 0.2604 0.0379 0.054 Uiso calc R 1
C C6 0.33131(11) 0.2521(6) -0.0957(4) 0.0591(9) Uani d . 1
H H6A 0.3349 0.1315 -0.1360 0.071 Uiso calc R 1
C C7 0.29597(10) 0.3542(8) -0.1413(4) 0.0679(12) Uani d . 1
H H7A 0.2765 0.3021 -0.2127 0.081 Uiso calc R 1
C C8 0.29041(9) 0.5263(7) -0.0818(4) 0.0623(10) Uani d . 1
H H8A 0.2667 0.5899 -0.1110 0.075 Uiso calc R 1
C C9 0.31964(8) 0.6148(6) 0.0246(3) 0.0471(7) Uani d . 1
C C10 0.31380(9) 0.7976(7) 0.0864(4) 0.0591(8) Uani d . 1
H H10A 0.2902 0.8622 0.0569 0.071 Uiso calc R 1
C C11 0.34224(11) 0.8810(6) 0.1885(4) 0.0595(9) Uani d . 1
H H11A 0.3381 1.0018 0.2276 0.071 Uiso calc R 1
C C12 0.37792(9) 0.7816(5) 0.2340(3) 0.0472(7) Uani d . 1
H H12A 0.3971 0.8388 0.3038 0.057 Uiso calc R 1
C C13 0.44874(8) 0.5757(6) 0.3700(3) 0.0460(6) Uani d . 1
H H13A 0.4721 0.4995 0.3956 0.069 Uiso calc R 1
H H13B 0.4346 0.5668 0.4434 0.069 Uiso calc R 1
H H13C 0.4552 0.7107 0.3573 0.069 Uiso calc R 1
N N14 0.54304(7) 0.1276(4) 0.2016(2) 0.0334(4) Uani d D 1
H H14A 0.5540(10) 0.125(7) 0.132(3) 0.050 Uiso d D 1
H H14B 0.5379(12) 0.005(3) 0.206(5) 0.050 Uiso d D 1
C C15 0.57083(6) 0.1594(4) 0.3391(2) 0.0319(5) Uani d . 1
H H15A 0.5757 0.3010 0.3505 0.038 Uiso calc R 1
C C16 0.60979(6) 0.0571(4) 0.3498(3) 0.0341(5) Uani d . 1
C C17 0.64378(6) 0.1363(4) 0.4442(3) 0.0352(5) Uani d . 1
C C18 0.64390(7) 0.3150(7) 0.5185(3) 0.0458(5) Uani d . 1
H H18A 0.6210 0.3865 0.5077 0.055 Uiso calc R 1
C C19 0.67731(9) 0.3861(6) 0.6070(3) 0.0547(8) Uani d . 1
H H19A 0.6768 0.5041 0.6549 0.066 Uiso calc R 1
C C20 0.71216(8) 0.2778(8) 0.6241(3) 0.0598(11) Uani d . 1
H H20A 0.7347 0.3247 0.6839 0.072 Uiso calc R 1
C C21 0.71307(8) 0.1067(7) 0.5544(4) 0.0574(9) Uani d . 1
H H21A 0.7363 0.0378 0.5670 0.069 Uiso calc R 1
C C22 0.67929(7) 0.0291(5) 0.4619(3) 0.0420(6) Uani d . 1
C C23 0.68054(8) -0.1490(6) 0.3891(4) 0.0556(9) Uani d . 1
H H23A 0.7036 -0.2198 0.4035 0.067 Uiso calc R 1
C C24 0.64816(9) -0.2188(5) 0.2975(4) 0.0552(8) Uani d . 1
H H24A 0.6493 -0.3354 0.2485 0.066 Uiso calc R 1
C C25 0.61296(8) -0.1123(5) 0.2778(4) 0.0456(6) Uani d . 1
H H25A 0.5912 -0.1592 0.2136 0.055 Uiso calc R 1
C C26 0.55147(8) 0.0926(6) 0.4552(3) 0.0497(7) Uani d . 1
H H26A 0.5271 0.1592 0.4458 0.075 Uiso calc R 1
H H26B 0.5679 0.1230 0.5453 0.075 Uiso calc R 1
H H26C 0.5471 -0.0467 0.4480 0.075 Uiso calc R 1
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-1 -1 2
-14 -2 5
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 Pd1 N14 . 179.70(14) y
N1 Pd1 Cl2 . 88.64(7) y
N14 Pd1 Cl2 . 91.08(9) y
N1 Pd1 Cl1 . 90.78(9) y
N14 Pd1 Cl1 . 89.50(8) y
Cl2 Pd1 Cl1 . 178.81(4) y
N1 Pd1 Pd1 2_655 94.47(6) ?
N14 Pd1 Pd1 2_655 85.62(6) ?
Cl2 Pd1 Pd1 2_655 86.67(2) ?
Cl1 Pd1 Pd1 2_655 94.40(2) ?
C2 N1 Pd1 . 115.74(16) ?
C2 N1 H1A . 106(3) ?
Pd1 N1 H1A . 107(3) ?
C2 N1 H1B . 113(3) ?
Pd1 N1 H1B . 110(3) ?
H1A N1 H1B . 105(4) ?
N1 C2 C3 . 111.06(19) ?
N1 C2 C13 . 107.4(2) ?
C3 C2 C13 . 115.5(2) ?
N1 C2 H2A . 107.6 ?
C3 C2 H2A . 107.6 ?
C13 C2 H2A . 107.6 ?
C12 C3 C4 . 119.2(3) ?
C12 C3 C2 . 121.2(2) ?
C4 C3 C2 . 119.6(2) ?
C5 C4 C9 . 117.9(3) ?
C5 C4 C3 . 123.6(2) ?
C9 C4 C3 . 118.5(3) ?
C6 C5 C4 . 121.0(3) ?
C6 C5 H5A . 119.5 ?
C4 C5 H5A . 119.5 ?
C5 C6 C7 . 120.4(4) ?
C5 C6 H6A . 119.8 ?
C7 C6 H6A . 119.8 ?
C8 C7 C6 . 119.9(3) ?
C8 C7 H7A . 120.0 ?
C6 C7 H7A . 120.0 ?
C7 C8 C9 . 122.1(3) ?
C7 C8 H8A . 118.9 ?
C9 C8 H8A . 118.9 ?
C10 C9 C8 . 122.0(3) ?
C10 C9 C4 . 119.5(3) ?
C8 C9 C4 . 118.6(3) ?
C11 C10 C9 . 121.3(3) ?
C11 C10 H10A . 119.4 ?
C9 C10 H10A . 119.4 ?
C10 C11 C12 . 119.2(3) ?
C10 C11 H11A . 120.4 ?
C12 C11 H11A . 120.4 ?
C3 C12 C11 . 122.3(3) ?
C3 C12 H12A . 118.8 ?
C11 C12 H12A . 118.8 ?
C2 C13 H13A . 109.5 ?
C2 C13 H13B . 109.5 ?
H13A C13 H13B . 109.5 ?
C2 C13 H13C . 109.5 ?
H13A C13 H13C . 109.5 ?
H13B C13 H13C . 109.5 ?
C15 N14 Pd1 . 115.00(18) ?
C15 N14 H14A . 113(3) ?
Pd1 N14 H14A . 111(3) ?
C15 N14 H14B . 102(3) ?
Pd1 N14 H14B . 116(3) ?
H14A N14 H14B . 99(4) ?
N14 C15 C26 . 108.0(2) ?
N14 C15 C16 . 113.5(2) ?
C26 C15 C16 . 111.3(2) ?
N14 C15 H15A . 107.9 ?
C26 C15 H15A . 107.9 ?
C16 C15 H15A . 107.9 ?
C25 C16 C17 . 119.3(2) ?
C25 C16 C15 . 121.7(2) ?
C17 C16 C15 . 118.9(2) ?
C18 C17 C22 . 118.4(2) ?
C18 C17 C16 . 123.6(2) ?
C22 C17 C16 . 118.0(3) ?
C19 C18 C17 . 121.6(3) ?
C19 C18 H18A . 119.2 ?
C17 C18 H18A . 119.2 ?
C18 C19 C20 . 119.4(4) ?
C18 C19 H19A . 120.3 ?
C20 C19 H19A . 120.3 ?
C21 C20 C19 . 120.5(3) ?
C21 C20 H20A . 119.7 ?
C19 C20 H20A . 119.7 ?
C20 C21 C22 . 121.7(3) ?
C20 C21 H21A . 119.2 ?
C22 C21 H21A . 119.2 ?
C23 C22 C21 . 121.3(3) ?
C23 C22 C17 . 120.3(3) ?
C21 C22 C17 . 118.4(3) ?
C24 C23 C22 . 120.7(3) ?
C24 C23 H23A . 119.7 ?
C22 C23 H23A . 119.7 ?
C23 C24 C25 . 119.5(3) ?
C23 C24 H24A . 120.3 ?
C25 C24 H24A . 120.3 ?
C16 C25 C24 . 122.2(3) ?
C16 C25 H25A . 118.9 ?
C24 C25 H25A . 118.9 ?
C15 C26 H26A . 109.5 ?
C15 C26 H26B . 109.5 ?
H26A C26 H26B . 109.5 ?
C15 C26 H26C . 109.5 ?
H26A C26 H26C . 109.5 ?
H26B C26 H26C . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pd1 N1 . 2.061(2) y
Pd1 N14 . 2.071(2) y
Pd1 Cl2 . 2.2947(8) y
Pd1 Cl1 . 2.3099(8) y
Pd1 Pd1 2_655 3.2499(4) y
N1 C2 . 1.500(3) ?
N1 H1A . 0.865(19) ?
N1 H1B . 0.834(18) ?
C2 C3 . 1.523(3) ?
C2 C13 . 1.526(4) ?
C2 H2A . 0.9800 ?
C3 C12 . 1.376(4) ?
C3 C4 . 1.436(4) ?
C4 C5 . 1.417(5) ?
C4 C9 . 1.432(4) ?
C5 C6 . 1.377(4) ?
C5 H5A . 0.9300 ?
C6 C7 . 1.410(6) ?
C6 H6A . 0.9300 ?
C7 C8 . 1.339(7) ?
C7 H7A . 0.9300 ?
C8 C9 . 1.421(5) ?
C8 H8A . 0.9300 ?
C9 C10 . 1.415(6) ?
C10 C11 . 1.368(6) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.411(4) ?
C11 H11A . 0.9300 ?
C12 H12A . 0.9300 ?
C13 H13A . 0.9600 ?
C13 H13B . 0.9600 ?
C13 H13C . 0.9600 ?
N14 C15 . 1.487(3) ?
N14 H14A . 0.851(18) ?
N14 H14B . 0.855(19) ?
C15 C26 . 1.513(4) ?
C15 C16 . 1.524(3) ?
C15 H15A . 0.9800 ?
C16 C25 . 1.365(4) ?
C16 C17 . 1.443(3) ?
C17 C18 . 1.413(5) ?
C17 C22 . 1.427(3) ?
C18 C19 . 1.383(4) ?
C18 H18A . 0.9300 ?
C19 C20 . 1.411(5) ?
C19 H19A . 0.9300 ?
C20 C21 . 1.351(6) ?
C20 H20A . 0.9300 ?
C21 C22 . 1.425(4) ?
C21 H21A . 0.9300 ?
C22 C23 . 1.408(5) ?
C23 C24 . 1.368(5) ?
C23 H23A . 0.9300 ?
C24 C25 . 1.414(4) ?
C24 H24A . 0.9300 ?
C25 H25A . 0.9300 ?
C26 H26A . 0.9600 ?
C26 H26B . 0.9600 ?
C26 H26C . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1A Cl1 1_565 0.865(19) 2.89(3) 3.700(3) 156(4) yes
N1 H1B Cl2 2_655 0.834(18) 2.83(3) 3.339(2) 121(3) yes
N14 H14A Cl1 2_655 0.851(18) 2.60(3) 3.330(2) 145(3) yes
N14 H14B Cl2 1_545 0.855(19) 2.86(2) 3.702(3) 168(4) yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion
Cl2 Pd1 N1 C2 . -113.03(19)
Cl1 Pd1 N1 C2 . 65.94(19)
Pd1 Pd1 N1 C2 2_655 160.42(19)
Pd1 N1 C2 C3 . -167.58(18)
Pd1 N1 C2 C13 . 65.3(3)
N1 C2 C3 C12 . -109.4(3)
C13 C2 C3 C12 . 13.1(4)
N1 C2 C3 C4 . 72.2(3)
C13 C2 C3 C4 . -165.3(2)
C12 C3 C4 C5 . -179.4(3)
C2 C3 C4 C5 . -1.0(4)
C12 C3 C4 C9 . 0.1(4)
C2 C3 C4 C9 . 178.5(2)
C9 C4 C5 C6 . 1.2(4)
C3 C4 C5 C6 . -179.4(3)
C4 C5 C6 C7 . -0.5(5)
C5 C6 C7 C8 . -1.1(6)
C6 C7 C8 C9 . 1.9(6)
C7 C8 C9 C10 . 179.4(4)
C7 C8 C9 C4 . -1.2(5)
C5 C4 C9 C10 . 179.1(3)
C3 C4 C9 C10 . -0.4(4)
C5 C4 C9 C8 . -0.4(4)
C3 C4 C9 C8 . -179.8(3)
C8 C9 C10 C11 . -179.9(3)
C4 C9 C10 C11 . 0.7(5)
C9 C10 C11 C12 . -0.6(5)
C4 C3 C12 C11 . 0.0(4)
C2 C3 C12 C11 . -178.4(3)
C10 C11 C12 C3 . 0.3(5)
Cl2 Pd1 N14 C15 . 55.92(19)
Cl1 Pd1 N14 C15 . -123.05(19)
Pd1 Pd1 N14 C15 2_655 142.50(19)
Pd1 N14 C15 C26 . 70.0(3)
Pd1 N14 C15 C16 . -166.08(17)
N14 C15 C16 C25 . -29.3(4)
C26 C15 C16 C25 . 92.9(3)
N14 C15 C16 C17 . 154.1(2)
C26 C15 C16 C17 . -83.8(3)
C25 C16 C17 C18 . 177.1(3)
C15 C16 C17 C18 . -6.2(4)
C25 C16 C17 C22 . -2.1(4)
C15 C16 C17 C22 . 174.7(2)
C22 C17 C18 C19 . -0.2(5)
C16 C17 C18 C19 . -179.4(3)
C17 C18 C19 C20 . -0.1(5)
C18 C19 C20 C21 . 0.3(6)
C19 C20 C21 C22 . -0.1(6)
C20 C21 C22 C23 . 179.7(3)
C20 C21 C22 C17 . -0.3(5)
C18 C17 C22 C23 . -179.5(3)
C16 C17 C22 C23 . -0.3(4)
C18 C17 C22 C21 . 0.4(4)
C16 C17 C22 C21 . 179.6(3)
C21 C22 C23 C24 . -178.0(3)
C17 C22 C23 C24 . 1.9(5)
C22 C23 C24 C25 . -1.1(5)
C17 C16 C25 C24 . 3.1(4)
C15 C16 C25 C24 . -173.6(3)
C23 C24 C25 C16 . -1.5(5)
