#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:42:34 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179343 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/40/4324028.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_4324028
loop_
_publ_author_name
'Deborah C. Bebout'
'David E. Ehmann'
'Jonathan C. Trinidad'
'Kathleen K. Crahan'
'Margaret E. Kastner'
'Damon A. Parrish'
_publ_section_title
;
 Preparation of Mercury(II) Complexes of Tris[(2-pyridyl)methyl]amine and
 Characterization by X-ray Crystallography and NMR Spectroscopy
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4257
_journal_page_last               4264
_journal_paper_doi               10.1021/ic9702779
_journal_volume                  36
_journal_year                    1997
_chemical_formula_moiety         '(C18 H18 Cl Hg N4 1+)2, Cl4 Hg 2-'
_chemical_formula_sum            'C36 H36 Cl6 Hg3 N8'
_chemical_formula_weight         1395.20
_chemical_name_systematic
; 
tris[(2-pyridyl)methyl]aminechloromercury(II) tetrachloromercurate(II) 
;
_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
_cell_angle_alpha                112.27(2)
_cell_angle_beta                 109.39(2)
_cell_angle_gamma                90.670(10)
_cell_formula_units_Z            2
_cell_length_a                   11.887(2)
_cell_length_b                   13.260(2)
_cell_length_c                   15.278(4)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.77
_cell_measurement_theta_min      10.66
_cell_volume                     2075.9(9)
_computing_cell_refinement       SHELXL-93
_computing_data_collection       'Siemens SHELXL PLUS (VMS)'
_computing_data_reduction        'Siemens SHELXL PLUS (VMS)'
_computing_molecular_graphics    'Siemens SHELXL PLUS (VMS)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       'theta 2 theta'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0697
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9587
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         1.55
_diffrn_standards_decay_%        'none observed'
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.490
_exptl_absorpt_correction_T_max  0.0801
_exptl_absorpt_correction_T_min  0.0253
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.232
_exptl_crystal_density_meas      2.289
_exptl_crystal_density_method    'floatation in bromoform/hexane solution'
_exptl_crystal_description       'cloudy plate'
_exptl_crystal_F_000             1300
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.092
_refine_diff_density_min         -3.771
_refine_diff_density_rms         0.377
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.919
_refine_ls_goodness_of_fit_obs   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         9585
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.953
_refine_ls_restrained_S_obs      0.943
_refine_ls_R_factor_all          0.0819
_refine_ls_R_factor_obs          0.0468
_refine_ls_shift/esd_max         0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0799P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1411
_refine_ls_wR_factor_obs         0.1085
_reflns_number_observed          5941
_reflns_number_total             9587
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9702779_1.cif
_cod_data_source_block           bebo2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0799P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0799P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2075.9(7)
_cod_database_code               4324028
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Hg1 Hg 0.48204(4) 0.03915(3) 0.25364(3) 0.04248(12) Uani 1 d . .
Hg2 Hg 0.16351(4) 0.28659(4) 0.10456(3) 0.04886(13) Uani 1 d . .
Hg3 Hg -0.20353(4) 0.61144(4) 0.34545(4) 0.05071(13) Uani 1 d . .
N(A) N 0.5506(7) -0.1340(7) 0.2456(6) 0.039(2) Uani 1 d . .
N(B) N 0.0357(7) 0.3379(7) 0.2067(6) 0.039(2) Uani 1 d . .
N1 N 0.6987(7) 0.0729(7) 0.3197(7) 0.041(2) Uani 1 d . .
N2 N 0.4141(8) -0.0863(8) 0.0799(7) 0.046(2) Uani 1 d . .
N3 N 0.3967(8) -0.0287(8) 0.3458(7) 0.049(2) Uani 1 d . .
N4 N 0.2787(8) 0.4237(7) 0.2617(7) 0.045(2) Uani 1 d . .
N5 N -0.0113(8) 0.3578(8) 0.0200(7) 0.047(2) Uani 1 d . .
N6 N 0.0938(8) 0.1274(7) 0.1234(7) 0.046(2) Uani 1 d . .
C1A C 0.7618(10) 0.1740(9) 0.3706(8) 0.046(3) Uani 1 d . .
H1A H 0.7211(10) 0.2358(9) 0.3693(8) 0.080 Uiso 1 d R .
C1B C 0.8830(12) 0.1925(11) 0.4220(9) 0.058(3) Uani 1 d . .
H1B H 0.9274(12) 0.2660(11) 0.4604(9) 0.080 Uiso 1 d R .
C1C C 0.9398(12) 0.1002(13) 0.4220(11) 0.069(4) Uani 1 d . .
H1C H 1.0253(12) 0.1085(13) 0.4567(11) 0.080 Uiso 1 d R .
C1D C 0.8730(10) -0.0045(11) 0.3684(9) 0.055(3) Uani 1 d . .
H1D H 0.9091(10) -0.0686(11) 0.3693(9) 0.080 Uiso 1 d R .
C1E C 0.7518(9) -0.0164(9) 0.3132(8) 0.044(2) Uani 1 d . .
C1F C 0.6738(10) -0.1267(9) 0.2440(8) 0.049(3) Uani 1 d . .
H1FB H 0.6688(10) -0.1430(9) 0.1759(8) 0.080 Uiso 1 d R .
H1FA H 0.7125(10) -0.1820(9) 0.2636(8) 0.080 Uiso 1 d R .
C2A C 0.3792(10) -0.0551(10) -0.0010(8) 0.048(3) Uani 1 d . .
H2A H 0.3664(10) 0.0195(10) 0.0108(8) 0.080 Uiso 1 d R .
C2B C 0.3617(12) -0.1219(13) -0.0949(11) 0.066(4) Uani 1 d . .
H2B H 0.3359(12) -0.0994(13) -0.1504(11) 0.080 Uiso 1 d R .
C2C C 0.3799(12) -0.2251(18) -0.1139(10) 0.101(7) Uani 1 d . .
H2C H 0.3676(12) -0.2784(18) -0.1811(10) 0.080 Uiso 1 d R .
C2D C 0.4218(11) -0.2717(12) -0.0288(10) 0.067(4) Uani 1 d . .
H2D H 0.4391(11) -0.3449(12) -0.0386(10) 0.080 Uiso 1 d R .
C2E C 0.4341(9) -0.1936(9) 0.0647(8) 0.041(2) Uani 1 d . .
C2F C 0.4648(10) -0.2209(8) 0.1486(8) 0.047(3) Uani 1 d . .
H2FB H 0.3921(10) -0.2365(8) 0.1587(8) 0.080 Uiso 1 d R .
H2FA H 0.5007(10) -0.2869(8) 0.1339(8) 0.080 Uiso 1 d R .
C3A C 0.2992(12) 0.0063(12) 0.3664(9) 0.065(4) Uani 1 d . .
H3A H 0.2730(12) 0.0718(12) 0.3590(9) 0.080 Uiso 1 d R .
C3B C 0.2382(13) -0.0596(15) 0.4006(10) 0.079(5) Uani 1 d . .
H3B H 0.1676(13) -0.0361(15) 0.4146(10) 0.080 Uiso 1 d R .
C3C C 0.2748(15) -0.1460(15) 0.4073(13) 0.084(5) Uani 1 d . .
H3C H 0.2302(15) -0.1879(15) 0.4277(13) 0.080 Uiso 1 d R .
C3D C 0.3758(13) -0.1785(11) 0.3885(10) 0.067(4) Uani 1 d . .
H3D H 0.4042(13) -0.2422(11) 0.3986(10) 0.080 Uiso 1 d R .
C3E C 0.4362(11) -0.1180(10) 0.3594(8) 0.049(3) Uani 1 d . .
C3F C 0.5505(11) -0.1498(10) 0.3382(9) 0.053(3) Uani 1 d . .
H3FB H 0.6197(11) -0.1033(10) 0.3953(9) 0.080 Uiso 1 d R .
H3FA H 0.5562(11) -0.2249(10) 0.3295(9) 0.080 Uiso 1 d R .
C4A C 0.3874(10) 0.4741(9) 0.2811(9) 0.048(3) Uani 1 d . .
H4A H 0.4181(10) 0.4564(9) 0.2272(9) 0.080 Uiso 1 d R .
C4B C 0.4605(11) 0.5531(10) 0.3818(11) 0.062(3) Uani 1 d . .
H4B H 0.5390(11) 0.5885(10) 0.3953(11) 0.080 Uiso 1 d R .
C4C C 0.4127(12) 0.5789(11) 0.4558(10) 0.062(3) Uani 1 d . .
H4C H 0.4580(12) 0.6322(11) 0.5233(10) 0.080 Uiso 1 d R .
C4D C 0.2992(13) 0.5243(10) 0.4336(9) 0.061(3) Uani 1 d . .
H4D H 0.2655(13) 0.5400(10) 0.4855(9) 0.080 Uiso 1 d R .
C4E C 0.2343(10) 0.4475(9) 0.3371(8) 0.045(3) Uani 1 d . .
C4F C 0.1186(11) 0.3772(10) 0.3129(9) 0.052(3) Uani 1 d . .
H4FB H 0.1375(11) 0.3147(10) 0.3293(9) 0.080 Uiso 1 d R .
H4FA H 0.0773(11) 0.4200(10) 0.3553(9) 0.080 Uiso 1 d R .
C5A C -0.0447(13) 0.3439(10) -0.0750(10) 0.062(3) Uani 1 d . .
H5A H 0.0034(13) 0.3090(10) -0.1141(10) 0.080 Uiso 1 d R .
C5B C -0.1489(14) 0.3840(12) -0.1228(11) 0.074(4) Uani 1 d . .
H5B H -0.1739(14) 0.3753(12) -0.1921(11) 0.080 Uiso 1 d R .
C5C C -0.2149(14) 0.4315(12) -0.0654(14) 0.082(5) Uani 1 d . .
H5C H -0.2877(14) 0.4567(12) -0.0945(14) 0.080 Uiso 1 d R .
C5D C -0.1766(11) 0.4435(11) 0.0382(11) 0.059(3) Uani 1 d . .
H5D H -0.2213(11) 0.4801(11) 0.0799(11) 0.080 Uiso 1 d R .
C5E C -0.0767(10) 0.4077(8) 0.0748(8) 0.042(2) Uani 1 d . .
C5F C -0.0287(11) 0.4300(10) 0.1829(9) 0.054(3) Uani 1 d . .
H5FB H 0.0255(11) 0.4989(10) 0.2205(9) 0.080 Uiso 1 d R .
H5FA H -0.0945(11) 0.4365(10) 0.2069(9) 0.080 Uiso 1 d R .
C6A C 0.1426(11) 0.0376(10) 0.1024(10) 0.057(3) Uani 1 d . .
H6A H 0.2043(11) 0.0321(10) 0.0740(10) 0.080 Uiso 1 d R .
C6B C 0.1073(13) -0.0498(11) 0.1244(11) 0.069(4) Uani 1 d . .
H6B H 0.1436(13) -0.1155(11) 0.1097(11) 0.080 Uiso 1 d R .
C6C C 0.0186(12) -0.0399(11) 0.1643(10) 0.062(3) Uani 1 d . .
H6C H -0.0103(12) -0.1001(11) 0.1755(10) 0.080 Uiso 1 d R .
C6D C -0.0302(12) 0.0558(10) 0.1856(10) 0.057(3) Uani 1 d . .
H6D H -0.0884(12) 0.0650(10) 0.2180(10) 0.080 Uiso 1 d R .
C6E C 0.0068(9) 0.1390(9) 0.1624(8) 0.044(2) Uani 1 d . .
C6F C -0.0499(10) 0.2380(10) 0.1794(9) 0.050(3) Uani 1 d . .
H6FB H -0.1158(10) 0.2272(10) 0.1180(9) 0.080 Uiso 1 d R .
H6FA H -0.0818(10) 0.2506(10) 0.2321(9) 0.080 Uiso 1 d R .
Cl1 Cl 0.4242(3) 0.2121(3) 0.2708(3) 0.0712(9) Uani 1 d . .
Cl2 Cl 0.2603(3) 0.2228(4) -0.0143(3) 0.0855(12) Uani 1 d . .
Cl3 Cl -0.3927(3) 0.5558(3) 0.1910(2) 0.0626(8) Uani 1 d . .
Cl4 Cl -0.2361(3) 0.7449(3) 0.4975(2) 0.0602(8) Uani 1 d . .
Cl5 Cl -0.0517(3) 0.7039(2) 0.3084(3) 0.0618(8) Uani 1 d . .
Cl6 Cl -0.1651(3) 0.4398(3) 0.3706(3) 0.0639(8) Uani 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.3894 9.2266 '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
Cl1 Hg1 N2 111.1(2) . . y
Cl1 Hg1 N3 107.7(2) . . y
N2 Hg1 N3 110.4(3) . . y
Cl1 Hg1 N1 105.1(2) . . y
N2 Hg1 N1 108.6(3) . . y
N3 Hg1 N1 113.9(3) . . y
Cl1 Hg1 N(A) 176.7(2) . . y
N2 Hg1 N(A) 72.0(3) . . y
N3 Hg1 N(A) 71.8(3) . . y
N1 Hg1 N(A) 72.5(3) . . y
N4 Hg2 Cl2 116.0(2) . . y
N4 Hg2 N6 110.7(3) . . y
Cl2 Hg2 N6 106.7(2) . . y
N4 Hg2 N(B) 72.3(3) . . y
Cl2 Hg2 N(B) 171.6(2) . . y
N6 Hg2 N(B) 70.3(3) . . y
N4 Hg2 N5 109.7(3) . . y
Cl2 Hg2 N5 103.9(2) . . y
N6 Hg2 N5 109.5(3) . . y
N(B) Hg2 N5 70.5(3) . . y
Cl6 Hg3 Cl4 107.91(11) . . y
Cl6 Hg3 Cl5 118.60(11) . . y
Cl4 Hg3 Cl5 109.20(11) . . y
Cl6 Hg3 Cl3 104.93(12) . . y
Cl4 Hg3 Cl3 110.76(11) . . y
Cl5 Hg3 Cl3 105.28(12) . . y
C1F N(A) C2F 111.0(8) . . y
C1F N(A) C3F 110.9(8) . . y
C2F N(A) C3F 112.9(9) . . y
C1F N(A) Hg1 107.3(6) . . y
C2F N(A) Hg1 106.0(6) . . y
C3F N(A) Hg1 108.4(6) . . y
C4F N(B) C6F 110.5(8) . . y
C4F N(B) C5F 112.4(8) . . y
C6F N(B) C5F 113.0(8) . . y
C4F N(B) Hg2 105.7(6) . . y
C6F N(B) Hg2 108.9(6) . . y
C5F N(B) Hg2 105.9(6) . . y
C1A N1 C1E 121.6(9) . . y
C1A N1 Hg1 122.5(7) . . y
C1E N1 Hg1 115.4(7) . . y
C2A N2 C2E 120.3(10) . . y
C2A N2 Hg1 124.4(8) . . y
C2E N2 Hg1 114.1(7) . . y
C3E N3 C3A 120.5(11) . . y
C3E N3 Hg1 116.4(7) . . y
C3A N3 Hg1 122.0(8) . . y
C4A N4 C4E 119.9(10) . . y
C4A N4 Hg2 122.8(7) . . y
C4E N4 Hg2 117.2(7) . . y
C5A N5 C5E 120.0(11) . . y
C5A N5 Hg2 123.6(9) . . y
C5E N5 Hg2 116.3(7) . . y
C6A N6 C6E 122.0(10) . . y
C6A N6 Hg2 122.1(8) . . y
C6E N6 Hg2 115.7(7) . . y
N1 C1A C1B 122.0(11) . . y
C1A C1B C1C 117.4(12) . . y
C1D C1C C1B 119.9(12) . . y
C1E C1D C1C 119.0(12) . . y
N1 C1E C1D 119.8(11) . . y
N1 C1E C1F 117.0(9) . . y
C1D C1E C1F 123.2(11) . . y
N(A) C1F C1E 114.4(8) . . y
C2B C2A N2 124.0(12) . . y
C2A C2B C2C 118.3(13) . . y
C2B C2C C2D 123.2(12) . . y
C2E C2D C2C 112.0(13) . . y
C2D C2E N2 122.1(11) . . y
C2D C2E C2F 120.3(11) . . y
N2 C2E C2F 117.6(9) . . y
C2E C2F N(A) 115.0(9) . . y
N3 C3A C3B 116.6(13) . . y
C3C C3B C3A 120.8(14) . . y
C3B C3C C3D 121.6(14) . . y
C3E C3D C3C 119.1(13) . . y
N3 C3E C3D 121.3(12) . . y
N3 C3E C3F 117.2(9) . . y
C3D C3E C3F 121.5(11) . . y
N(A) C3F C3E 110.5(8) . . y
N4 C4A C4B 121.3(11) . . y
C4C C4B C4A 118.0(11) . . y
C4B C4C C4D 119.3(12) . . y
C4E C4D C4C 120.5(12) . . y
N4 C4E C4D 120.9(11) . . y
N4 C4E C4F 116.7(9) . . y
C4D C4E C4F 122.0(11) . . y
N(B) C4F C4E 114.3(8) . . y
N5 C5A C5B 122.3(13) . . y
C5C C5B C5A 116.0(14) . . y
C5B C5C C5D 120.1(14) . . y
C5E C5D C5C 118.3(13) . . y
C5D C5E N5 123.3(11) . . y
C5D C5E C5F 119.2(11) . . y
N5 C5E C5F 117.3(10) . . y
C5E C5F N(B) 114.0(9) . . y
N6 C6A C6B 120.3(12) . . y
C6C C6B C6A 118.8(12) . . y
C6B C6C C6D 119.2(12) . . y
C6C C6D C6E 119.8(12) . . y
N6 C6E C6D 119.7(10) . . y
N6 C6E C6F 120.3(10) . . y
C6D C6E C6F 120.0(10) . . y
C6E C6F N(B) 112.2(9) . . y
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
Hg1 Cl1 2.346(3) . y
Hg1 N2 2.379(9) . y
Hg1 N3 2.390(9) . y
Hg1 N1 2.399(8) . y
Hg1 N(A) 2.418(8) . y
Hg2 N4 2.323(9) . y
Hg2 Cl2 2.363(3) . y
Hg2 N6 2.409(9) . y
Hg2 N(B) 2.449(8) . y
Hg2 N5 2.463(9) . y
Hg3 Cl6 2.471(3) . y
Hg3 Cl4 2.485(3) . y
Hg3 Cl5 2.497(3) . y
Hg3 Cl3 2.508(3) . y
N(A) C1F 1.475(13) . y
N(A) C2F 1.497(13) . y
N(A) C3F 1.507(13) . y
N(B) C4F 1.470(14) . y
N(B) C6F 1.493(13) . y
N(B) C5F 1.545(14) . y
N1 C1A 1.327(13) . y
N1 C1E 1.334(13) . y
N2 C2A 1.386(13) . y
N2 C2E 1.389(13) . y
N3 C3E 1.342(14) . y
N3 C3A 1.342(15) . y
N4 C4A 1.334(14) . y
N4 C4E 1.355(13) . y
N5 C5A 1.31(2) . y
N5 C5E 1.330(13) . y
N6 C6A 1.306(14) . y
N6 C6E 1.338(13) . y
C1A C1B 1.36(2) . y
C1B C1C 1.40(2) . y
C1C C1D 1.38(2) . y
C1D C1E 1.38(2) . y
C1E C1F 1.504(15) . y
C2A C2B 1.31(2) . y
C2B C2C 1.32(2) . y
C2C C2D 1.58(2) . y
C2D C2E 1.37(2) . y
C2E C2F 1.397(15) . y
C3A C3B 1.46(2) . y
C3B C3C 1.26(2) . y
C3C C3D 1.36(2) . y
C3D C3E 1.35(2) . y
C3E C3F 1.53(2) . y
C4A C4B 1.45(2) . y
C4B C4C 1.36(2) . y
C4C C4D 1.40(2) . y
C4D C4E 1.38(2) . y
C4E C4F 1.51(2) . y
C5A C5B 1.43(2) . y
C5B C5C 1.35(2) . y
C5C C5D 1.44(2) . y
C5D C5E 1.31(2) . y
C5E C5F 1.46(2) . y
C6A C6B 1.42(2) . y
C6B C6C 1.37(2) . y
C6C C6D 1.37(2) . y
C6D C6E 1.39(2) . y
C6E C6F 1.46(2) . y
