#------------------------------------------------------------------------------
#$Date: 2025-04-05 05:45:22 +0200 (Sat 05 de Apr de 2025) $
#$Revision: 299018 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/36/7063615.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_7063615
loop_
_publ_author_name
'Sen, Charanjeet'
'Singh, Rohit'
'Devi, Swaita'
Niharika,
'Singhaal, Richa'
'Sahoo, Subash Chandra'
'Sheikh, Haq Nawaz'
_publ_section_title
;
 Design and synthesis of 2D coordination polymers from isophthalic and
 adipic acids: exploring Tb-based luminescent sensors for Cr3+, Fe3+ and
 p-NA
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2350
_journal_page_last               2364
_journal_paper_doi               10.1039/D4NJ05061D
_journal_volume                  49
_journal_year                    2025
_chemical_compound_source        synthesized
_chemical_formula_moiety         'C11 H12 Gd O8'
_chemical_formula_sum            'C11 H12 Gd O8'
_chemical_formula_weight         429.46
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2024-07-04
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2024-11-22 deposited with the CCDC.	2025-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                93.315(3)
_cell_angle_beta                 108.272(3)
_cell_angle_gamma                108.886(3)
_cell_formula_units_Z            2
_cell_length_a                   6.8597(2)
_cell_length_b                   10.0940(4)
_cell_length_c                   10.5435(3)
_cell_measurement_reflns_used    6531
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.2770
_cell_measurement_theta_min      3.3290
_cell_volume                     645.53(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.31d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.31d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.31d (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -26.00   6.00   0.50    2.50    --   -9.95 -90.00 -31.00   64
  2  ω    -35.00   6.00   0.50    2.50    --   -9.95  90.00  83.00   82
  3  ω    -31.00  23.00   0.50    2.50    --   10.22 -90.00 -31.00  108
  4  ω    -19.00  26.00   0.50    2.50    --   10.22  90.00  83.00   90
  5  ω    -54.00 -26.00   0.50    2.50    --   -9.95 125.00 120.00   56
  6  ω    -33.00   1.00   0.50    2.50    --   -9.95 -38.00 120.00   68
  7  ω     23.00  54.00   0.50    2.50    --   -9.95  38.00-150.00   62
  8  ω    -74.00   1.00   0.50    2.50    --   -9.95 -38.00 -30.00  150
  9  ω    -58.00  -3.00   0.50    2.50    --   -9.95 125.00-150.00  110
 10  ω    -10.00  51.00   0.50    2.50    --   -9.95  57.00 150.00  122
 11  ω    -54.00  -1.00   0.50    2.50    --   10.22 -38.00-120.00  106
 12  ω    -51.00  12.00   0.50    2.50    --   10.22 -19.00  60.00  126
 13  ω    -32.00   4.00   0.50    2.50    --   10.22 115.00-167.28   72
 14  ω    -14.00  14.00   0.50    2.50    --   10.22 -38.00-180.00   56
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_unetI/netI     0.0580
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.933
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7536
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.933
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.362
_diffrn_reflns_theta_min         3.250
_exptl_absorpt_coefficient_mu    5.172
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.39886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.31d (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.209
_exptl_crystal_description       block
_exptl_crystal_F_000             412
_exptl_crystal_size_max          0.007
_exptl_crystal_size_mid          0.005
_exptl_crystal_size_min          0.004
_refine_diff_density_max         5.400
_refine_diff_density_min         -2.716
_refine_diff_density_rms         0.302
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     186
_refine_ls_number_reflns         2731
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0908P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1287
_refine_ls_wR_factor_ref         0.1300
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2581
_reflns_number_total             2731
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4nj05061d2.cif
_cod_data_source_block           gjp-i7
_cod_depositor_comments
'Adding full bibliography for 7063611--7063619.cif.'
_cod_database_code               7063615
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O4) = Uanis(O4A)
Uanis(O4A) = Uanis(O4)
3. Others
 Fixed Sof: O4(0.7) O4A(0.3)
4.a Rotating group:
 O8(H8A,H8B), O7(H7A,H7B)
4.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B)
4.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C7(H7), C5(H5), C6(H6)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.75606(4) 0.08450(3) 0.92132(3) 0.01666(16) Uani 1 1 d . . . . .
O5 O 0.3643(8) 0.0233(5) 0.8824(5) 0.0242(11) Uani 1 1 d . . . . .
O6 O 0.0368(8) 0.0036(6) 0.8765(5) 0.0261(11) Uani 1 1 d . . . . .
O2 O 0.4118(8) 0.1790(5) 0.1550(5) 0.0233(10) Uani 1 1 d . . . . .
O1 O 0.4193(9) 0.0456(5) 0.3111(5) 0.0293(12) Uani 1 1 d . . . . .
O3 O 0.7470(11) 0.2488(6) 0.7870(6) 0.0466(17) Uani 1 1 d . . . . .
C9 C 0.1829(11) 0.0378(7) 0.8233(6) 0.0172(13) Uani 1 1 d . . . . .
C1 C 0.4652(12) 0.1637(8) 0.2804(7) 0.0204(14) Uani 1 1 d . . . . .
O8 O 1.1083(9) 0.2743(7) 1.0074(9) 0.062(2) Uani 1 1 d . . . . .
H8A H 1.149077 0.320057 1.099362 0.094 Uiso 1 1 d R U . . .
H8B H 1.122017 0.351707 0.957280 0.094 Uiso 1 1 d R U . . .
O7 O 0.7440(13) 0.2663(7) 1.0675(9) 0.077(3) Uani 1 1 d . . . . .
H7A H 0.597116 0.256975 1.065647 0.115 Uiso 1 1 d R U . . .
H7B H 0.802314 0.363068 1.050177 0.115 Uiso 1 1 d R U . . .
C10 C 0.1419(13) 0.0917(8) 0.6918(7) 0.0240(16) Uani 1 1 d . . . . .
H10A H 0.281549 0.150930 0.686987 0.029 Uiso 1 1 calc R U . . .
H10B H 0.054013 0.150567 0.689300 0.029 Uiso 1 1 calc R U . . .
C2 C 0.5838(11) 0.2938(8) 0.3878(7) 0.0240(15) Uani 1 1 d . . . . .
C3 C 0.6451(14) 0.2781(9) 0.5210(8) 0.0256(17) Uani 1 1 d . . . . .
H3 H 0.609046 0.187381 0.542684 0.031 Uiso 1 1 calc R U . . .
C11 C 0.0218(14) -0.0295(9) 0.5665(7) 0.0275(17) Uani 1 1 d . . . . .
H11A H 0.110901 -0.087232 0.567264 0.033 Uiso 1 1 calc R U . . .
H11B H -0.116939 -0.089944 0.571576 0.033 Uiso 1 1 calc R U . . .
C4 C 0.7605(13) 0.3961(8) 0.6241(7) 0.0290(17) Uani 1 1 d . . . . .
C7 C 0.6394(14) 0.4319(9) 0.3554(8) 0.0299(17) Uani 1 1 d . . . . .
H7 H 0.600388 0.444371 0.265349 0.036 Uiso 1 1 calc R U . . .
C5 C 0.8163(15) 0.5315(9) 0.5909(9) 0.0344(19) Uani 1 1 d . . . . .
H5 H 0.897664 0.610998 0.659198 0.041 Uiso 1 1 calc R U . . .
C6 C 0.7523(14) 0.5477(8) 0.4591(8) 0.0324(18) Uani 1 1 d . . . . .
H6 H 0.785365 0.638868 0.438357 0.039 Uiso 1 1 calc R U . . .
O4 O 1.004(2) 0.4651(10) 0.8573(9) 0.060(3) Uani 0.7 1 d . . P A 1
C8 C 0.829(2) 0.3719(10) 0.7666(9) 0.057(3) Uani 1 1 d . . . . .
O4A O 0.833(5) 0.474(2) 0.854(2) 0.060(3) Uani 0.3 1 d . . P A 2
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'
Gd Gd -0.1653 3.9035 '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'
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
O5 Gd1 O5 65.96(17) . 2_657 ?
O5 Gd1 O6 145.42(17) . 1_655 ?
O5 Gd1 O6 114.67(16) . 2_657 ?
O5 Gd1 O2 74.74(16) . 2_656 ?
O5 Gd1 C9 90.54(17) . 2_657 ?
O5 Gd1 C9 24.94(16) 2_657 2_657 ?
O5 Gd1 C1 74.10(19) . 2_656 ?
O5 Gd1 C1 97.94(19) 2_657 2_656 ?
O6 Gd1 O5 49.59(14) 2_657 2_657 ?
O6 Gd1 O5 112.80(16) 1_655 2_657 ?
O6 Gd1 O6 67.80(18) 1_655 2_657 ?
O6 Gd1 O2 72.20(16) 1_655 2_656 ?
O6 Gd1 C9 90.36(17) 1_655 2_657 ?
O6 Gd1 C9 24.65(16) 2_657 2_657 ?
O6 Gd1 C1 102.71(19) 2_657 2_656 ?
O6 Gd1 C1 71.90(19) 1_655 2_656 ?
O2 Gd1 O5 73.44(15) 2_656 2_657 ?
O2 Gd1 O6 78.03(17) 2_656 2_657 ?
O2 Gd1 C9 74.73(16) 2_656 2_657 ?
O2 Gd1 C1 27.12(18) 2_656 2_656 ?
O1 Gd1 O5 120.79(17) 2_656 2_657 ?
O1 Gd1 O5 77.11(18) 2_656 . ?
O1 Gd1 O6 74.98(17) 2_656 1_655 ?
O1 Gd1 O6 125.18(17) 2_656 2_657 ?
O1 Gd1 O2 52.55(16) 2_656 2_656 ?
O1 Gd1 C9 127.28(18) 2_656 2_657 ?
O1 Gd1 C1 25.44(19) 2_656 2_656 ?
O3 Gd1 O5 90.6(2) . . ?
O3 Gd1 O5 145.8(2) . 2_657 ?
O3 Gd1 O6 150.3(2) . 2_657 ?
O3 Gd1 O6 100.7(2) . 1_655 ?
O3 Gd1 O2 126.07(18) . 2_656 ?
O3 Gd1 O1 73.72(19) . 2_656 ?
O3 Gd1 C9 158.6(2) . 2_657 ?
O3 Gd1 C1 99.1(2) . 2_656 ?
O3 Gd1 O8 72.2(2) . . ?
O3 Gd1 O7 79.8(3) . . ?
C1 Gd1 C9 101.85(19) 2_656 2_657 ?
O8 Gd1 O5 144.0(2) . . ?
O8 Gd1 O5 111.8(2) . 2_657 ?
O8 Gd1 O6 78.0(2) . 2_657 ?
O8 Gd1 O6 70.3(2) . 1_655 ?
O8 Gd1 O2 140.9(2) . 2_656 ?
O8 Gd1 O1 124.8(3) . 2_656 ?
O8 Gd1 C9 94.8(2) . 2_657 ?
O8 Gd1 C1 138.5(3) . 2_656 ?
O7 Gd1 O5 75.8(2) . . ?
O7 Gd1 O5 70.7(2) . 2_657 ?
O7 Gd1 O6 91.1(3) . 2_657 ?
O7 Gd1 O6 138.2(2) . 1_655 ?
O7 Gd1 O2 140.41(19) . 2_656 ?
O7 Gd1 O1 141.5(3) . 2_656 ?
O7 Gd1 C9 79.8(2) . 2_657 ?
O7 Gd1 C1 149.8(2) . 2_656 ?
O7 Gd1 O8 70.3(3) . . ?
Gd1 O5 Gd1 114.04(17) . 2_657 ?
C9 O5 Gd1 94.0(4) . 2_657 ?
C9 O5 Gd1 150.2(4) . . ?
Gd1 O6 Gd1 112.20(18) 1_455 2_657 ?
C9 O6 Gd1 97.9(4) . 2_657 ?
C9 O6 Gd1 141.1(5) . 1_455 ?
C1 O2 Gd1 90.9(4) . 2_656 ?
C1 O1 Gd1 95.6(4) . 2_656 ?
C8 O3 Gd1 149.6(6) . . ?
O5 C9 Gd1 61.1(3) . 2_657 ?
O5 C9 C10 120.5(6) . . ?
O6 C9 Gd1 57.5(3) . 2_657 ?
O6 C9 O5 118.5(6) . . ?
O6 C9 C10 121.0(6) . . ?
C10 C9 Gd1 176.9(5) . 2_657 ?
O2 C1 Gd1 62.0(3) . 2_656 ?
O2 C1 C2 118.5(7) . . ?
O1 C1 Gd1 59.0(4) . 2_656 ?
O1 C1 O2 120.9(7) . . ?
O1 C1 C2 120.5(7) . . ?
C2 C1 Gd1 179.3(5) . 2_656 ?
Gd1 O8 H8A 114.6 . . ?
Gd1 O8 H8B 114.7 . . ?
H8A O8 H8B 103.8 . . ?
Gd1 O7 H7A 114.9 . . ?
Gd1 O7 H7B 115.5 . . ?
H7A O7 H7B 103.1 . . ?
C9 C10 H10A 109.0 . . ?
C9 C10 H10B 109.0 . . ?
C9 C10 C11 112.8(6) . . ?
H10A C10 H10B 107.8 . . ?
C11 C10 H10A 109.0 . . ?
C11 C10 H10B 109.0 . . ?
C3 C2 C1 118.7(7) . . ?
C3 C2 C7 119.4(7) . . ?
C7 C2 C1 121.8(7) . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.7(7) . . ?
C4 C3 H3 119.6 . . ?
C10 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
C11 C11 C10 111.5(8) 2_556 . ?
C11 C11 H11A 109.3 2_556 . ?
C11 C11 H11B 109.3 2_556 . ?
H11A C11 H11B 108.0 . . ?
C3 C4 C5 119.3(7) . . ?
C3 C4 C8 118.2(7) . . ?
C5 C4 C8 122.4(7) . . ?
C2 C7 H7 120.5 . . ?
C6 C7 C2 119.0(7) . . ?
C6 C7 H7 120.5 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.1(8) . . ?
C6 C5 H5 119.9 . . ?
C7 C6 H6 119.3 . . ?
C5 C6 C7 121.3(8) . . ?
C5 C6 H6 119.3 . . ?
O3 C8 C4 117.2(8) . . ?
O3 C8 O4 121.3(10) . . ?
O3 C8 O4A 114.5(13) . . ?
O4 C8 C4 119.4(9) . . ?
O4A C8 C4 112.6(14) . . ?
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
Gd1 O5 2.444(5) . ?
Gd1 O5 2.627(5) 2_657 ?
Gd1 O6 2.548(5) 2_657 ?
Gd1 O6 2.478(5) 1_655 ?
Gd1 O2 2.497(5) 2_656 ?
Gd1 O1 2.436(5) 2_656 ?
Gd1 O3 2.246(6) . ?
Gd1 C9 2.994(6) 2_657 ?
Gd1 C1 2.829(7) 2_656 ?
Gd1 O8 2.400(6) . ?
Gd1 O7 2.367(6) . ?
O5 C9 1.266(8) . ?
O6 C9 1.261(8) . ?
O2 C1 1.290(8) . ?
O1 C1 1.221(9) . ?
O3 C8 1.249(12) . ?
C9 C10 1.497(9) . ?
C1 C2 1.493(10) . ?
O8 H8A 0.9628 . ?
O8 H8B 0.9641 . ?
O7 H7A 0.9746 . ?
O7 H7B 0.9802 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.548(11) . ?
C2 C3 1.369(11) . ?
C2 C7 1.413(11) . ?
C3 H3 0.9300 . ?
C3 C4 1.388(11) . ?
C11 C11 1.537(14) 2_556 ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C4 C5 1.392(11) . ?
C4 C8 1.487(12) . ?
C7 H7 0.9300 . ?
C7 C6 1.378(12) . ?
C5 H5 0.9300 . ?
C5 C6 1.357(11) . ?
C6 H6 0.9300 . ?
O4 C8 1.297(13) . ?
C8 O4A 1.33(3) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Gd1 O5 C9 Gd1 -160.7(9) . . . 2_657 ?
Gd1 O5 C9 O6 -158.8(6) . . . . ?
Gd1 O5 C9 O6 1.9(6) 2_657 . . . ?
Gd1 O5 C9 C10 -176.9(5) 2_657 . . . ?
Gd1 O5 C9 C10 22.4(12) . . . . ?
Gd1 O6 C9 Gd1 141.2(7) 1_455 . . 2_657 ?
Gd1 O6 C9 O5 -2.0(6) 2_657 . . . ?
Gd1 O6 C9 O5 139.3(6) 1_455 . . . ?
Gd1 O6 C9 C10 -41.9(10) 1_455 . . . ?
Gd1 O6 C9 C10 176.9(5) 2_657 . . . ?
Gd1 O2 C1 O1 -0.8(7) 2_656 . . . ?
Gd1 O2 C1 C2 179.5(6) 2_656 . . . ?
Gd1 O1 C1 O2 0.9(7) 2_656 . . . ?
Gd1 O1 C1 C2 -179.5(6) 2_656 . . . ?
Gd1 O3 C8 C4 161.9(9) . . . . ?
Gd1 O3 C8 O4 -2(3) . . . . ?
Gd1 O3 C8 O4A -63(3) . . . . ?
O5 C9 C10 C11 94.4(8) . . . . ?
O6 C9 C10 C11 -84.4(8) . . . . ?
O2 C1 C2 C3 -178.6(7) . . . . ?
O2 C1 C2 C7 -0.4(11) . . . . ?
O1 C1 C2 C3 1.7(11) . . . . ?
O1 C1 C2 C7 179.9(7) . . . . ?
C9 C10 C11 C11 178.8(8) . . . 2_556 ?
C1 C2 C3 C4 178.4(7) . . . . ?
C1 C2 C7 C6 -178.9(7) . . . . ?
C2 C3 C4 C5 -0.8(12) . . . . ?
C2 C3 C4 C8 -177.9(9) . . . . ?
C2 C7 C6 C5 2.0(13) . . . . ?
C3 C2 C7 C6 -0.7(12) . . . . ?
C3 C4 C5 C6 2.1(13) . . . . ?
C3 C4 C8 O3 -12.1(16) . . . . ?
C3 C4 C8 O4 151.7(11) . . . . ?
C3 C4 C8 O4A -148.1(16) . . . . ?
C4 C5 C6 C7 -2.6(14) . . . . ?
C7 C2 C3 C4 0.2(12) . . . . ?
C5 C4 C8 O3 170.9(10) . . . . ?
C5 C4 C8 O4 -25.3(17) . . . . ?
C5 C4 C8 O4A 34.9(19) . . . . ?
C8 C4 C5 C6 179.0(9) . . . . ?
