#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/13/2221371.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_2221371
loop_
_publ_author_name
'Xiao, Hui-Quan'
_publ_section_title
{μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-1κ⁴O⁶,O¹,O^1'^,O^6'^:2κ⁴O¹,N,N',O^1'^}(methanol-1κO)(perchlorato-1κO)nickel(II)sodium
_journal_coeditor_code           HG2479
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m400
_journal_paper_doi               10.1107/S1600536809007776
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Na Ni (C18 H18 N2 O4) (Cl O4) (C H4 O)]'
_chemical_formula_moiety         'C19 H22 Cl N2 Na Ni O9'
_chemical_formula_sum            'C19 H22 Cl N2 Na Ni O9'
_chemical_formula_weight         539.54
_chemical_name_systematic
;
{μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-
1κ⁴O⁶,O¹,O^1'^,O^6'^:
2κ⁴O¹,N,N',O^1'^}(methanol-
1κO)(perchlorato-1κO)nickel(II)sodium
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.302(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.026(2)
_cell_length_b                   8.1360(16)
_cell_length_c                   23.394(5)
_cell_measurement_reflns_used    3601
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.561
_cell_measurement_theta_min      2.66
_cell_volume                     2218.0(7)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            10559
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    1.069
_exptl_absorpt_correction_T_max  0.8915
_exptl_absorpt_correction_T_min  0.8647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1111.9
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.034
_refine_diff_density_min         -1.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         3906
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0527
_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)+(0.0852P)²+3.4175P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1470
_refine_ls_wR_factor_ref         0.1591
_reflns_number_gt                3120
_reflns_number_total             3906
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hg2479.cif
_cod_data_source_block           I
_cod_original_cell_volume        2218.0(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2221371
_cod_database_fobs_code          2221371
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni Ni1 0.17531(4) 0.91320(6) 1.01069(2) 0.0373(2) Uani d . 1 A .
Na Na1 0.14961(15) 0.9105(2) 0.86470(7) 0.0501(5) Uani d . 1 . .
Cl Cl1 0.00049(13) 1.1323(2) 0.73545(7) 0.0721(4) Uani d . 1 . .
O O1 0.2467(2) 1.0034(4) 0.95724(11) 0.0448(7) Uani d . 1 A .
O O2 0.0756(2) 0.8289(4) 0.94440(12) 0.0447(7) Uani d . 1 A .
O O3 0.3169(3) 1.0958(4) 0.86647(14) 0.0576(9) Uani d . 1 A .
O O4 -0.0318(3) 0.7296(4) 0.84088(13) 0.0557(8) Uani d . 1 A .
O O5 -0.0995(6) 1.2219(13) 0.7369(3) 0.102(3) Uani d P 0.723(12) A 1
O O6 0.0663(7) 1.2518(12) 0.7120(4) 0.104(3) Uani d P 0.723(12) A 1
O O7 -0.0350(8) 1.0008(11) 0.6966(4) 0.128(4) Uani d P 0.723(12) A 1
O O8 0.0599(6) 1.0976(10) 0.7922(4) 0.090(3) Uani d P 0.723(12) A 1
O O5' 0.0360(19) 1.150(3) 0.6850(10) 0.102(7) Uani d P 0.277(12) A 2
O O6' -0.1060(17) 1.082(3) 0.7329(9) 0.098(7) Uani d P 0.277(12) A 2
O O7' 0.0321(18) 1.264(3) 0.7734(10) 0.118(9) Uani d P 0.277(12) A 2
O O8' 0.0764(13) 1.002(2) 0.7645(8) 0.076(5) Uani d P 0.277(12) A 2
O O9 0.2372(3) 0.6892(5) 0.83487(16) 0.0696(10) Uani d . 1 A .
H H9A 0.2928 0.6982 0.8209 0.12(3) Uiso d R 1 . .
N N1 0.2807(3) 0.9918(5) 1.07592(14) 0.0457(9) Uani d . 1 . .
N N2 0.0964(3) 0.8305(5) 1.06239(15) 0.0458(9) Uani d . 1 . .
C C1 0.3996(4) 1.1441(5) 1.02507(19) 0.0441(10) Uani d . 1 . .
C C2 0.3391(3) 1.0965(5) 0.96838(19) 0.0398(9) Uani d . 1 A .
C C3 0.3795(4) 1.1522(5) 0.91995(19) 0.0435(10) Uani d . 1 . .
C C4 0.4748(4) 1.2522(6) 0.9279(2) 0.0552(12) Uani d . 1 A .
H H4 0.5003 1.2882 0.8956 0.066 Uiso calc R 1 . .
C C5 0.5326(4) 1.2990(6) 0.9852(2) 0.0590(12) Uani d . 1 . .
H H5 0.5965 1.3672 0.9908 0.071 Uiso calc R 1 A .
C C6 0.4969(4) 1.2463(6) 1.0322(2) 0.0560(12) Uani d . 1 A .
H H6 0.5368 1.2776 1.0699 0.067 Uiso calc R 1 . .
C C7 0.3659(4) 1.0869(6) 1.0762(2) 0.0486(11) Uani d . 1 A .
H H7 0.4096 1.1216 1.1127 0.058 Uiso calc R 1 . .
C C8 0.3589(5) 1.1308(8) 0.8156(2) 0.0695(15) Uani d . 1 . .
H H8A 0.3547 1.2470 0.8082 0.104 Uiso calc R 1 A .
H H8B 0.3130 1.0738 0.7821 0.104 Uiso calc R 1 . .
H H8C 0.4372 1.0952 0.8225 0.104 Uiso calc R 1 . .
C C9 -0.0578(4) 0.6982(5) 0.99182(19) 0.0443(10) Uani d . 1 . .
C C10 -0.0165(3) 0.7390(5) 0.94207(18) 0.0409(9) Uani d . 1 A .
C C11 -0.0784(4) 0.6823(6) 0.8863(2) 0.0455(10) Uani d . 1 . .
C C12 -0.1784(4) 0.5926(6) 0.8798(2) 0.0562(12) Uani d . 1 A .
H H12 -0.2192 0.5578 0.8427 0.067 Uiso calc R 1 . .
C C13 -0.2176(4) 0.5547(6) 0.9300(3) 0.0593(13) Uani d . 1 . .
H H13 -0.2844 0.4934 0.9260 0.071 Uiso calc R 1 A .
C C14 -0.1599(4) 0.6058(6) 0.9838(2) 0.0555(13) Uani d . 1 A .
H H14 -0.1878 0.5798 1.0164 0.067 Uiso calc R 1 . .
C C15 0.0024(4) 0.7488(6) 1.0494(2) 0.0506(11) Uani d . 1 A .
H H15 -0.0294 0.7200 1.0804 0.061 Uiso calc R 1 . .
C C16 -0.0870(5) 0.6700(9) 0.7830(2) 0.0777(17) Uani d . 1 . .
H H16A -0.0888 0.5520 0.7834 0.117 Uiso calc R 1 A .
H H16B -0.0451 0.7064 0.7553 0.117 Uiso calc R 1 . .
H H16C -0.1640 0.7117 0.7715 0.117 Uiso calc R 1 . .
C C17 0.2655(5) 0.9255(7) 1.1318(2) 0.0665(15) Uani d . 1 A .
H H17A 0.2888 1.0066 1.1629 0.080 Uiso calc R 1 . .
H H17B 0.3126 0.8282 1.1428 0.080 Uiso calc R 1 . .
C C18 0.1423(5) 0.8834(7) 1.1241(2) 0.0668(15) Uani d . 1 A .
H H18A 0.1345 0.7955 1.1509 0.080 Uiso calc R 1 . .
H H18B 0.1003 0.9784 1.1326 0.080 Uiso calc R 1 . .
C C19 0.2246(7) 0.5342(9) 0.8564(4) 0.106(2) Uani d . 1 . .
H H19A 0.2947 0.5023 0.8838 0.159 Uiso calc R 1 A .
H H19B 0.2069 0.4572 0.8244 0.159 Uiso calc R 1 . .
H H19C 0.1634 0.5353 0.8761 0.159 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'
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'
Ni Ni 0.3393 1.1124 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Ni1 N2 . . 176.62(15) ?
O1 Ni1 N1 . . 94.78(15) ?
N2 Ni1 N1 . . 86.77(17) ?
O1 Ni1 O2 . . 83.82(12) ?
N2 Ni1 O2 . . 94.76(15) ?
N1 Ni1 O2 . . 177.16(14) ?
O1 Ni1 Na1 . . 41.38(9) ?
N2 Ni1 Na1 . . 137.28(13) ?
N1 Ni1 Na1 . . 135.89(12) ?
O2 Ni1 Na1 . . 42.52(9) ?
O9 Na1 O1 . . 112.26(14) ?
O9 Na1 O8 . . 117.3(3) ?
O1 Na1 O8 . . 120.1(3) ?
O9 Na1 O2 . . 108.27(15) ?
O1 Na1 O2 . . 63.49(11) ?
O8 Na1 O2 . . 124.2(2) ?
O9 Na1 O8' . . 91.8(5) ?
O1 Na1 O8' . . 141.9(5) ?
O8 Na1 O8' . . 25.9(4) ?
O2 Na1 O8' . . 137.7(4) ?
O9 Na1 O3 . . 92.89(15) ?
O1 Na1 O3 . . 64.60(11) ?
O8 Na1 O3 . . 81.1(2) ?
O2 Na1 O3 . . 128.05(13) ?
O8' Na1 O3 . . 86.0(4) ?
O9 Na1 O4 . . 85.03(14) ?
O1 Na1 O4 . . 126.36(12) ?
O8 Na1 O4 . . 90.0(2) ?
O2 Na1 O4 . . 62.87(11) ?
O8' Na1 O4 . . 83.0(4) ?
O3 Na1 O4 . . 168.75(13) ?
O9 Na1 Ni1 . . 112.55(11) ?
O1 Na1 Ni1 . . 31.57(7) ?
O8 Na1 Ni1 . . 130.2(3) ?
O2 Na1 Ni1 . . 31.98(8) ?
O8' Na1 Ni1 . . 155.4(5) ?
O3 Na1 Ni1 . . 96.18(9) ?
O4 Na1 Ni1 . . 94.83(8) ?
O6' Cl1 O5' . . 120.0(14) ?
O6' Cl1 O8 . . 104.1(9) ?
O5' Cl1 O8 . . 131.5(10) ?
O6' Cl1 O7' . . 112.1(14) ?
O5' Cl1 O7' . . 112.2(16) ?
O8 Cl1 O7' . . 62.9(9) ?
O6' Cl1 O7 . . 66.4(11) ?
O5' Cl1 O7 . . 68.2(13) ?
O8 Cl1 O7 . . 118.2(5) ?
O7' Cl1 O7 . . 178.2(9) ?
O6' Cl1 O5 . . 49.2(9) ?
O5' Cl1 O5 . . 114.6(10) ?
O8 Cl1 O5 . . 109.0(5) ?
O7' Cl1 O5 . . 71.7(9) ?
O7 Cl1 O5 . . 106.6(5) ?
O6' Cl1 O6 . . 143.3(10) ?
O5' Cl1 O6 . . 43.8(10) ?
O8 Cl1 O6 . . 107.6(5) ?
O7' Cl1 O6 . . 68.4(10) ?
O7 Cl1 O6 . . 112.1(6) ?
O5 Cl1 O6 . . 102.1(6) ?
O6' Cl1 O8' . . 106.3(12) ?
O5' Cl1 O8' . . 100.9(12) ?
O8 Cl1 O8' . . 44.1(7) ?
O7' Cl1 O8' . . 103.1(12) ?
O7 Cl1 O8' . . 78.5(9) ?
O5 Cl1 O8' . . 143.6(7) ?
O6 Cl1 O8' . . 109.3(7) ?
C2 O1 Ni1 . . 127.5(3) ?
C2 O1 Na1 . . 125.4(3) ?
Ni1 O1 Na1 . . 107.04(14) ?
C10 O2 Ni1 . . 127.4(3) ?
C10 O2 Na1 . . 127.1(3) ?
Ni1 O2 Na1 . . 105.50(13) ?
C3 O3 C8 . . 117.7(4) ?
C3 O3 Na1 . . 118.3(3) ?
C8 O3 Na1 . . 123.6(3) ?
C11 O4 C16 . . 116.9(4) ?
C11 O4 Na1 . . 118.6(3) ?
C16 O4 Na1 . . 124.5(3) ?
Cl1 O8 Na1 . . 150.8(6) ?
Cl1 O8' Na1 . . 135.7(13) ?
C19 O9 Na1 . . 120.6(4) ?
C19 O9 H9A . . 113.8 ?
Na1 O9 H9A . . 122.5 ?
C7 N1 C17 . . 119.5(4) ?
C7 N1 Ni1 . . 126.8(3) ?
C17 N1 Ni1 . . 113.5(3) ?
C15 N2 C18 . . 118.5(4) ?
C15 N2 Ni1 . . 127.0(3) ?
C18 N2 Ni1 . . 114.0(3) ?
C2 C1 C6 . . 119.8(4) ?
C2 C1 C7 . . 120.8(4) ?
C6 C1 C7 . . 119.3(4) ?
O1 C2 C1 . . 124.2(4) ?
O1 C2 C3 . . 117.8(4) ?
C1 C2 C3 . . 118.0(4) ?
O3 C3 C4 . . 124.9(4) ?
O3 C3 C2 . . 113.8(4) ?
C4 C3 C2 . . 121.3(4) ?
C3 C4 C5 . . 119.3(5) ?
C3 C4 H4 . . 120.4 ?
C5 C4 H4 . . 120.4 ?
C6 C5 C4 . . 120.8(5) ?
C6 C5 H5 . . 119.6 ?
C4 C5 H5 . . 119.6 ?
C5 C6 C1 . . 120.9(5) ?
C5 C6 H6 . . 119.5 ?
C1 C6 H6 . . 119.5 ?
N1 C7 C1 . . 125.6(4) ?
N1 C7 H7 . . 117.2 ?
C1 C7 H7 . . 117.2 ?
O3 C8 H8A . . 109.5 ?
O3 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
O3 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C14 C9 C10 . . 119.1(4) ?
C14 C9 C15 . . 120.1(4) ?
C10 C9 C15 . . 120.8(4) ?
O2 C10 C11 . . 117.8(4) ?
O2 C10 C9 . . 124.0(4) ?
C11 C10 C9 . . 118.2(4) ?
O4 C11 C12 . . 124.9(4) ?
O4 C11 C10 . . 113.6(4) ?
C12 C11 C10 . . 121.4(4) ?
C11 C12 C13 . . 119.1(5) ?
C11 C12 H12 . . 120.4 ?
C13 C12 H12 . . 120.4 ?
C14 C13 C12 . . 120.8(5) ?
C14 C13 H13 . . 119.6 ?
C12 C13 H13 . . 119.6 ?
C13 C14 C9 . . 121.4(4) ?
C13 C14 H14 . . 119.3 ?
C9 C14 H14 . . 119.3 ?
N2 C15 C9 . . 125.9(4) ?
N2 C15 H15 . . 117.0 ?
C9 C15 H15 . . 117.0 ?
O4 C16 H16A . . 109.5 ?
O4 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
O4 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
N1 C17 C18 . . 108.5(4) ?
N1 C17 H17A . . 110.0 ?
C18 C17 H17A . . 110.0 ?
N1 C17 H17B . . 110.0 ?
C18 C17 H17B . . 110.0 ?
H17A C17 H17B . . 108.4 ?
N2 C18 C17 . . 107.8(4) ?
N2 C18 H18A . . 110.1 ?
C17 C18 H18A . . 110.1 ?
N2 C18 H18B . . 110.1 ?
C17 C18 H18B . . 110.1 ?
H18A C18 H18B . . 108.5 ?
O9 C19 H19A . . 109.5 ?
O9 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
O9 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 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
Ni1 O1 . 1.836(3) ?
Ni1 N2 . 1.840(4) ?
Ni1 N1 . 1.841(4) ?
Ni1 O2 . 1.843(3) ?
Ni1 Na1 . 3.3525(19) ?
Na1 O9 . 2.281(4) ?
Na1 O1 . 2.318(3) ?
Na1 O8 . 2.335(7) ?
Na1 O2 . 2.351(3) ?
Na1 O8' . 2.408(16) ?
Na1 O3 . 2.506(4) ?
Na1 O4 . 2.576(4) ?
Cl1 O6' . 1.33(2) ?
Cl1 O5' . 1.36(2) ?
Cl1 O8 . 1.373(7) ?
Cl1 O7' . 1.39(2) ?
Cl1 O7 . 1.400(9) ?
Cl1 O5 . 1.414(7) ?
Cl1 O6 . 1.445(8) ?
Cl1 O8' . 1.456(17) ?
O1 C2 . 1.315(5) ?
O2 C10 . 1.317(5) ?
O3 C3 . 1.370(5) ?
O3 C8 . 1.432(5) ?
O4 C11 . 1.374(5) ?
O4 C16 . 1.437(6) ?
O9 C19 . 1.380(8) ?
O9 H9A . 0.8174 ?
N1 C7 . 1.283(6) ?
N1 C17 . 1.468(6) ?
N2 C15 . 1.281(6) ?
N2 C18 . 1.477(6) ?
C1 C2 . 1.401(6) ?
C1 C6 . 1.411(7) ?
C1 C7 . 1.432(6) ?
C2 C3 . 1.414(6) ?
C3 C4 . 1.380(6) ?
C4 C5 . 1.402(7) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.346(7) ?
C5 H5 . 0.9300 ?
C6 H6 . 0.9300 ?
C7 H7 . 0.9300 ?
C8 H8A . 0.9600 ?
C8 H8B . 0.9600 ?
C8 H8C . 0.9600 ?
C9 C14 . 1.412(6) ?
C9 C10 . 1.413(6) ?
C9 C15 . 1.423(7) ?
C10 C11 . 1.410(6) ?
C11 C12 . 1.383(6) ?
C12 C13 . 1.403(7) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.343(7) ?
C13 H13 . 0.9300 ?
C14 H14 . 0.9300 ?
C15 H15 . 0.9300 ?
C16 H16A . 0.9600 ?
C16 H16B . 0.9600 ?
C16 H16C . 0.9600 ?
C17 C18 . 1.488(8) ?
C17 H17A . 0.9700 ?
C17 H17B . 0.9700 ?
C18 H18A . 0.9700 ?
C18 H18B . 0.9700 ?
C19 H19A . 0.9600 ?
C19 H19B . 0.9600 ?
C19 H19C . 0.9600 ?
