#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:09:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179096 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/58/4305806.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_4305806
loop_
_publ_author_name
'Malgorzata Kondracka'
'Ulli Englert'
_publ_contact_author_address
;
      Institut fuer Anorganische Chemie
      RWTH Aachen
      Landoltweg 1
      52074 Aachen
      Germany
;
_publ_contact_author_email       ullrich.englert@ac.rwth-aachen.de
_publ_contact_author_fax         0049-241-8092288
_publ_contact_author_name        'Ulli Englert'
_publ_contact_author_phone       0049-241-8090074
_publ_section_title
;
Bimetallic Coordination Polymers via Combination of Substitution-Inert
Building Blocks and Labile Connectors
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10246
_journal_page_last               10257
_journal_paper_doi               10.1021/ic800748f
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C19 H22 Ag Cr N3 O7, F6 P, 2(C H4 O)'
_chemical_formula_sum            'C21 H30 Ag Cr F6 N3 O9 P'
_chemical_formula_weight         773.32
_chemical_name_common            'compound 4a'
_chemical_name_systematic
; 
 ? 
;
_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-97
_cell_angle_alpha                109.693(2)
_cell_angle_beta                 105.948(2)
_cell_angle_gamma                105.465(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3280(12)
_cell_length_b                   12.3001(13)
_cell_length_c                   13.210(2)
_cell_measurement_reflns_used    6733
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      29.79
_cell_measurement_theta_min      2.80
_cell_volume                     1529.5(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    PLATON
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '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  0.0332
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            33337
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    1.134
_exptl_absorpt_correction_T_max  0.895
_exptl_absorpt_correction_T_min  0.666
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Platon
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             778
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.771
_refine_diff_density_min         -1.703
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         8419
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0567
_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)+(0.0600P)²+4.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1377
_refine_ls_wR_factor_ref         0.1436
_reflns_number_gt                6788
_reflns_number_total             8419
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800748f_si_001_06.cif
_cod_data_source_block           comp4a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4305806
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.08700(3) 0.92086(3) 0.51798(3) 0.05418(13) Uani 1 1 d . . .
Cr1 Cr -0.24374(5) 0.57260(5) -0.18232(4) 0.02161(11) Uani 1 1 d . . .
N1 N -0.0514(4) 0.8354(4) -0.4192(3) 0.0482(9) Uani 1 1 d . . .
N2 N -0.0121(4) 0.8453(4) 0.3260(3) 0.0447(8) Uani 1 1 d . . .
N3 N -0.7115(4) 0.0855(3) -0.3710(3) 0.0469(8) Uani 1 1 d . . .
P1 P 0.29465(11) 0.95434(11) 0.16647(9) 0.0393(2) Uani 1 1 d . . .
F1 F 0.2828(5) 0.8150(3) 0.1424(3) 0.0863(11) Uani 1 1 d . . .
F2 F 0.3578(3) 0.9502(3) 0.0774(3) 0.0696(8) Uani 1 1 d . . .
F3 F 0.4443(3) 1.0144(4) 0.2723(3) 0.0778(10) Uani 1 1 d . . .
F4 F 0.3128(4) 1.0952(3) 0.1902(3) 0.0850(11) Uani 1 1 d . . .
F5 F 0.2330(4) 0.9591(4) 0.2546(3) 0.0785(10) Uani 1 1 d . . .
F6 F 0.1457(3) 0.8945(3) 0.0603(3) 0.0660(8) Uani 1 1 d . . .
O1 O -0.0736(2) 0.6274(2) -0.1938(2) 0.0262(5) Uani 1 1 d . . .
O2 O -0.3351(2) 0.6038(2) -0.31023(19) 0.0268(5) Uani 1 1 d . . .
O3 O -0.1577(3) 0.5384(2) -0.0565(2) 0.0286(5) Uani 1 1 d . . .
O4 O -0.1865(2) 0.7486(2) -0.06975(19) 0.0256(4) Uani 1 1 d . . .
O5 O -0.2999(2) 0.3953(2) -0.2949(2) 0.0288(5) Uani 1 1 d . . .
O6 O -0.4123(2) 0.5210(2) -0.1671(2) 0.0294(5) Uani 1 1 d . . .
C1 C 0.1065(4) 0.7375(4) -0.2202(3) 0.0357(8) Uani 1 1 d . . .
H1A H 0.1545 0.8174 -0.1486 0.054 Uiso 1 1 calc R . .
H1B H 0.1186 0.7507 -0.2864 0.054 Uiso 1 1 calc R . .
H1C H 0.1419 0.6758 -0.2096 0.054 Uiso 1 1 calc R . .
C2 C -0.0414(3) 0.6892(3) -0.2448(3) 0.0258(6) Uani 1 1 d . . .
C3 C -0.1384(4) 0.7121(3) -0.3214(3) 0.0276(6) Uani 1 1 d . . .
C4 C -0.2798(4) 0.6659(3) -0.3523(3) 0.0270(6) Uani 1 1 d . . .
C5 C -0.3752(4) 0.6863(4) -0.4422(3) 0.0400(8) Uani 1 1 d . . .
H5A H -0.4637 0.6603 -0.4399 0.060 Uiso 1 1 calc R . .
H5B H -0.3818 0.6362 -0.5206 0.060 Uiso 1 1 calc R . .
H5C H -0.3420 0.7756 -0.4244 0.060 Uiso 1 1 calc R . .
C6 C -0.0908(4) 0.7810(3) -0.3759(3) 0.0358(8) Uani 1 1 d . . .
C7 C -0.0703(4) 0.5458(4) 0.1262(4) 0.0403(9) Uani 1 1 d . . .
H7A H -0.0904 0.4580 0.0762 0.060 Uiso 1 1 calc R . .
H7B H -0.1178 0.5488 0.1782 0.060 Uiso 1 1 calc R . .
H7C H 0.0262 0.5906 0.1734 0.060 Uiso 1 1 calc R . .
C8 C -0.1139(3) 0.6063(3) 0.0520(3) 0.0278(7) Uani 1 1 d . . .
C9 C -0.1039(3) 0.7321(3) 0.1029(3) 0.0267(6) Uani 1 1 d . . .
C10 C -0.1347(3) 0.7996(3) 0.0403(3) 0.0260(6) Uani 1 1 d . . .
C11 C -0.1052(4) 0.9378(3) 0.1040(3) 0.0375(8) Uani 1 1 d . . .
H11A H -0.0083 0.9864 0.1403 0.056 Uiso 1 1 calc R . .
H11B H -0.1406 0.9507 0.1650 0.056 Uiso 1 1 calc R . .
H11C H -0.1476 0.9657 0.0480 0.056 Uiso 1 1 calc R . .
C12 C -0.0512(4) 0.7974(4) 0.2269(3) 0.0336(7) Uani 1 1 d . . .
C13 C -0.4155(4) 0.1712(3) -0.4120(3) 0.0371(8) Uani 1 1 d . . .
H13A H -0.3421 0.1841 -0.4382 0.056 Uiso 0.50 1 calc PR . .
H13B H -0.5011 0.1322 -0.4800 0.056 Uiso 0.50 1 calc PR . .
H13C H -0.4118 0.1160 -0.3733 0.056 Uiso 0.50 1 calc PR . .
H13D H -0.4946 0.1041 -0.4228 0.056 Uiso 0.50 1 calc PR . .
H13E H -0.3355 0.1560 -0.3810 0.056 Uiso 0.50 1 calc PR . .
H13F H -0.4249 0.1722 -0.4877 0.056 Uiso 0.50 1 calc PR . .
C14 C -0.4023(4) 0.2955(3) -0.3272(3) 0.0272(6) Uani 1 1 d . . .
C15 C -0.5040(3) 0.2972(3) -0.2883(3) 0.0269(6) Uani 1 1 d . . .
C16 C -0.5041(3) 0.4093(3) -0.2103(3) 0.0292(7) Uani 1 1 d . . .
C17 C -0.6177(4) 0.3994(4) -0.1754(4) 0.0465(10) Uani 1 1 d . . .
H17A H -0.6135 0.4838 -0.1333 0.070 Uiso 1 1 calc R . .
H17B H -0.6136 0.3573 -0.1242 0.070 Uiso 1 1 calc R . .
H17C H -0.7016 0.3505 -0.2456 0.070 Uiso 1 1 calc R . .
C18 C -0.6180(4) 0.1787(4) -0.3335(3) 0.0350(7) Uani 1 1 d . . .
O7 O 0.1594(6) 0.7404(5) 0.5231(5) 0.1011(16) Uani 1 1 d . . .
H7 H 0.2350 0.7460 0.5622 0.152 Uiso 1 1 d R . .
C19 C 0.0812(8) 0.6176(6) 0.4437(6) 0.0820(19) Uani 1 1 d . . .
H19A H 0.0560 0.5687 0.4852 0.123 Uiso 1 1 calc R . .
H19B H 0.1312 0.5830 0.4011 0.123 Uiso 1 1 calc R . .
H19C H 0.0003 0.6132 0.3880 0.123 Uiso 1 1 calc R . .
O8 O 0.6258(7) 0.2743(7) 0.3444(8) 0.150(3) Uani 1 1 d D . .
H8 H 0.5503 0.2148 0.3025 0.225 Uiso 1 1 calc RD . .
C20 C 0.6363(10) 0.3692(11) 0.3064(9) 0.124(4) Uani 1 1 d . . .
H20A H 0.5576 0.3899 0.2998 0.186 Uiso 1 1 calc R . .
H20B H 0.6415 0.3393 0.2296 0.186 Uiso 1 1 calc R . .
H20C H 0.7172 0.4444 0.3632 0.186 Uiso 1 1 calc R . .
O9 O 0.5876(4) 0.3005(4) 0.0008(4) 0.0752(12) Uani 1 1 d . . .
H9 H 0.6314 0.2682 -0.0326 0.113 Uiso 1 1 calc R . .
C21 C 0.4724(7) 0.2041(7) -0.0153(7) 0.090(2) Uani 1 1 d . . .
H21A H 0.4996 0.1513 0.0196 0.135 Uiso 1 1 calc R . .
H21B H 0.4172 0.1525 -0.0994 0.135 Uiso 1 1 calc R . .
H21C H 0.4208 0.2419 0.0228 0.135 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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
N1 Ag1 N2 108.95(14) 1_556 . ?
N1 Ag1 N3 126.79(14) 1_556 1_666 ?
N2 Ag1 N3 123.48(14) . 1_666 ?
N1 Ag1 O7 80.79(17) 1_556 . ?
N2 Ag1 O7 97.84(16) . . ?
N3 Ag1 O7 99.22(17) 1_666 . ?
N1 Ag1 Ag1 86.29(11) 1_556 2_576 ?
N2 Ag1 Ag1 75.92(10) . 2_576 ?
N3 Ag1 Ag1 97.34(10) 1_666 2_576 ?
O7 Ag1 Ag1 163.02(13) . 2_576 ?
O3 Cr1 O1 87.77(10) . . ?
O3 Cr1 O6 91.63(10) . . ?
O1 Cr1 O6 178.63(10) . . ?
O3 Cr1 O2 178.47(11) . . ?
O1 Cr1 O2 93.61(10) . . ?
O6 Cr1 O2 87.01(10) . . ?
O3 Cr1 O4 89.88(10) . . ?
O1 Cr1 O4 86.00(10) . . ?
O6 Cr1 O4 92.78(10) . . ?
O2 Cr1 O4 90.87(9) . . ?
O3 Cr1 O5 89.72(10) . . ?
O1 Cr1 O5 93.71(10) . . ?
O6 Cr1 O5 87.51(10) . . ?
O2 Cr1 O5 89.54(10) . . ?
O4 Cr1 O5 179.51(11) . . ?
C6 N1 Ag1 158.2(4) . 1_554 ?
C12 N2 Ag1 170.0(4) . . ?
C18 N3 Ag1 164.5(3) . 1_444 ?
F5 P1 F2 179.7(3) . . ?
F5 P1 F1 90.8(2) . . ?
F2 P1 F1 89.4(2) . . ?
F5 P1 F4 91.2(2) . . ?
F2 P1 F4 88.6(2) . . ?
F1 P1 F4 177.4(2) . . ?
F5 P1 F6 90.48(18) . . ?
F2 P1 F6 89.71(17) . . ?
F1 P1 F6 88.9(2) . . ?
F4 P1 F6 92.6(2) . . ?
F5 P1 F3 89.85(19) . . ?
F2 P1 F3 89.97(19) . . ?
F1 P1 F3 91.1(2) . . ?
F4 P1 F3 87.3(2) . . ?
F6 P1 F3 179.67(18) . . ?
C2 O1 Cr1 127.1(2) . . ?
C4 O2 Cr1 125.1(2) . . ?
C8 O3 Cr1 127.8(2) . . ?
C10 O4 Cr1 129.9(2) . . ?
C14 O5 Cr1 131.6(2) . . ?
C16 O6 Cr1 129.5(2) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 121.3(3) . . ?
O1 C2 C1 114.7(3) . . ?
C3 C2 C1 124.0(3) . . ?
C6 C3 C4 116.6(3) . . ?
C6 C3 C2 116.2(3) . . ?
C4 C3 C2 127.2(3) . . ?
O2 C4 C3 123.3(3) . . ?
O2 C4 C5 113.7(3) . . ?
C3 C4 C5 123.0(3) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N1 C6 C3 179.0(5) . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O3 C8 C9 124.4(3) . . ?
O3 C8 C7 114.6(3) . . ?
C9 C8 C7 121.0(3) . . ?
C10 C9 C12 116.9(3) . . ?
C10 C9 C8 125.0(3) . . ?
C12 C9 C8 118.0(3) . . ?
O4 C10 C9 121.5(3) . . ?
O4 C10 C11 117.9(3) . . ?
C9 C10 C11 120.6(3) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C9 177.2(4) . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C14 C13 H13D 109.5 . . ?
H13A C13 H13D 141.1 . . ?
H13B C13 H13D 56.3 . . ?
H13C C13 H13D 56.3 . . ?
C14 C13 H13E 109.5 . . ?
H13A C13 H13E 56.3 . . ?
H13B C13 H13E 141.1 . . ?
H13C C13 H13E 56.3 . . ?
H13D C13 H13E 109.5 . . ?
C14 C13 H13F 109.5 . . ?
H13A C13 H13F 56.3 . . ?
H13B C13 H13F 56.3 . . ?
H13C C13 H13F 141.1 . . ?
H13D C13 H13F 109.5 . . ?
H13E C13 H13F 109.5 . . ?
O5 C14 C15 122.8(3) . . ?
O5 C14 C13 119.5(3) . . ?
C15 C14 C13 117.7(3) . . ?
C14 C15 C16 122.8(3) . . ?
C14 C15 C18 118.3(3) . . ?
C16 C15 C18 118.9(3) . . ?
O6 C16 C15 125.4(3) . . ?
O6 C16 C17 116.7(3) . . ?
C15 C16 C17 117.9(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N3 C18 C15 178.1(4) . . ?
C19 O7 Ag1 121.9(4) . . ?
C19 O7 H7 109.6 . . ?
Ag1 O7 H7 127.8 . . ?
O7 C19 H19A 109.5 . . ?
O7 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O7 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C20 O8 H8 109.5 . . ?
O8 C20 H20A 109.5 . . ?
O8 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O8 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C21 O9 H9 109.5 . . ?
O9 C21 H21A 109.5 . . ?
O9 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O9 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
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
Ag1 N1 2.163(3) 1_556 ?
Ag1 N2 2.201(3) . ?
Ag1 N3 2.271(4) 1_666 ?
Ag1 O7 2.578(5) . ?
Ag1 Ag1 3.1711(9) 2_576 ?
Cr1 O3 1.921(2) . ?
Cr1 O1 1.932(2) . ?
Cr1 O6 1.934(2) . ?
Cr1 O2 1.940(2) . ?
Cr1 O4 1.967(2) . ?
Cr1 O5 1.982(2) . ?
N1 C6 1.101(5) . ?
N1 Ag1 2.163(3) 1_554 ?
N2 C12 1.132(5) . ?
N3 C18 1.167(5) . ?
N3 Ag1 2.271(4) 1_444 ?
P1 F5 1.506(3) . ?
P1 F2 1.530(3) . ?
P1 F1 1.594(3) . ?
P1 F4 1.597(3) . ?
P1 F6 1.642(3) . ?
P1 F3 1.645(3) . ?
O1 C2 1.223(4) . ?
O2 C4 1.227(4) . ?
O3 C8 1.256(4) . ?
O4 C10 1.253(4) . ?
O5 C14 1.284(4) . ?
O6 C16 1.296(4) . ?
C1 C2 1.518(5) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.435(5) . ?
C3 C6 1.382(4) . ?
C3 C4 1.434(5) . ?
C4 C5 1.510(5) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C7 C8 1.476(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.422(5) . ?
C9 C10 1.398(4) . ?
C9 C12 1.416(5) . ?
C10 C11 1.512(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C13 C14 1.500(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13 H13D 0.9800 . ?
C13 H13E 0.9800 . ?
C13 H13F 0.9800 . ?
C14 C15 1.386(5) . ?
C15 C16 1.417(5) . ?
C15 C18 1.461(5) . ?
C16 C17 1.471(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
O7 C19 1.369(8) . ?
O7 H7 0.8400 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
O8 C20 1.409(10) . ?
O8 H8 0.8400 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
O9 C21 1.417(8) . ?
O9 H9 0.8400 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
