#------------------------------------------------------------------------------
#$Date: 2025-10-06 11:34:54 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302661 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/92/7719245.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_7719245
loop_
_publ_author_name
'Jornet-Mollá, Verónica'
'Gómez-García, Carlos J'
'Dolz-Lozano, Miquel J'
'Giménez-Saiz, Carlos'
'Romero, Francisco M.'
_publ_section_title
;
 Synthesis, structure and slow magnetic relaxation of lanthanoid
 coordination polymers based on ethynyl-bridged picolinate ligands.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13143
_journal_page_last               13154
_journal_paper_doi               10.1039/d5dt01330e
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C30 H18 Gd N2 O10, C2 H8 N'
_chemical_formula_sum            'C32 H26 Gd N3 O10'
_chemical_formula_weight         769.81
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     difmap
_atom_sites_solution_secondary   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-05-14 deposited with the CCDC.	2025-08-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.214(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9735(2)
_cell_length_b                   10.7027(2)
_cell_length_c                   24.6745(4)
_cell_measurement_reflns_used    19616
_cell_measurement_temperature    119.9(3)
_cell_measurement_theta_max      27.7110
_cell_measurement_theta_min      3.7890
_cell_volume                     3129.57(9)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      119.9(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0267
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -20.00  25.90   0.90    5.00    --  -17.76 -99.00-150.00   51
  2  ω    -88.00   5.60   0.90    5.00    --  -17.76 -57.00-120.00  104
  3  ω    -97.00 -35.80   0.90    5.00    --  -17.76-178.00  60.00   68
  4  ω    -20.00  25.90   0.90    5.00    --  -17.76 -99.00 -60.00   51
  5  ω    -88.00   5.60   0.90    5.00    --  -17.76 -57.00  90.00  104
  6  ω    -88.00   5.60   0.90    5.00    --  -17.76 -57.00   0.00  104
  7  ω    -84.00  57.30   0.90    5.00    --  -17.76  19.00  60.00  157
  8  ω    -41.00  51.70   0.90    5.00    --  -17.76  57.00-120.00  103
  9  ω    -81.00  -6.30   0.90    5.00    --  -17.76 131.00-123.00   83
 10  ω    -41.00  51.70   0.90    5.00    --  -17.76  57.00 150.00  103
 11  ω    -20.00  25.90   0.90    5.00    --  -17.76 -99.00 150.00   51
 12  ω    -20.00  62.80   0.90    5.00    --   18.62 -99.00 120.00   92
 13  ω     35.00  61.10   0.90    5.00    --   18.62 178.00   0.00   29
;
_diffrn_measurement_device_type  'four-circle diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0066603000
_diffrn_orient_matrix_UB_12      0.0239481000
_diffrn_orient_matrix_UB_13      -0.0270689000
_diffrn_orient_matrix_UB_21      -0.0013583000
_diffrn_orient_matrix_UB_22      -0.0617661000
_diffrn_orient_matrix_UB_23      -0.0104912000
_diffrn_orient_matrix_UB_31      -0.0594751000
_diffrn_orient_matrix_UB_32      -0.0012698000
_diffrn_orient_matrix_UB_33      -0.0008929000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_unetI/netI     0.0153
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            26278
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.628
_diffrn_reflns_theta_min         3.337
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.182
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.340
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_description       spearhead
_exptl_crystal_F_000             1532
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.281
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.635
_refine_diff_density_min         -0.243
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    hetero
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3421
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0153
_refine_ls_R_factor_gt           0.0143
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0148P)²+4.2193P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0365
_refine_ls_wR_factor_ref         0.0371
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3301
_reflns_number_total             3421
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01330e2.cif
_cod_data_source_block           picCOOGd-c2
_cod_depositor_comments
'Adding full bibliography for 7719245--7719249.cif.'
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               7719245
_shelx_shelxl_version_number     2019/3
_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.
;
_shelx_estimated_absorpt_t_min   0.483
_shelx_estimated_absorpt_t_max   0.736
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
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 0.750000 0.56203(2) 0.000000 0.01248(4) Uani 1 2 d S T P . .
O1 O 0.68262(10) 0.48264(11) 0.07777(5) 0.0188(2) Uani 1 1 d . . . . .
O2 O 0.79177(10) 0.33326(12) 0.12103(5) 0.0243(3) Uani 1 1 d . . . . .
O3 O 0.07287(9) 0.17147(11) 0.49502(5) 0.0163(2) Uani 1 1 d . . . . .
O4 O -0.05604(10) 0.30801(12) 0.45611(5) 0.0249(3) Uani 1 1 d . . . . .
O1W O 0.87966(10) 0.40533(12) 0.03555(5) 0.0198(3) Uani 1 1 d . . . . .
H1WA H 0.936(2) 0.384(2) 0.0256(9) 0.030 Uiso 1 1 d . U . . .
H1WB H 0.8617(19) 0.375(2) 0.0633(10) 0.030 Uiso 1 1 d . U . . .
N1 N 0.21301(11) 0.22993(13) 0.42460(6) 0.0169(3) Uani 1 1 d . . . . .
C1 C 0.70659(13) 0.40209(16) 0.11538(7) 0.0175(3) Uani 1 1 d . . . . .
C2 C 0.62659(13) 0.39256(17) 0.15736(7) 0.0177(3) Uani 1 1 d . . . . .
C3 C 0.64656(14) 0.30612(19) 0.19961(7) 0.0253(4) Uani 1 1 d . . . . .
H3 H 0.710151 0.252347 0.201688 0.030 Uiso 1 1 calc R U . . .
C4 C 0.57463(15) 0.2975(2) 0.23877(8) 0.0279(4) Uani 1 1 d . . . . .
H4 H 0.589907 0.239137 0.267890 0.033 Uiso 1 1 calc R U . . .
C5 C 0.47981(14) 0.37451(18) 0.23549(7) 0.0210(4) Uani 1 1 d . . . . .
C6 C 0.45911(15) 0.46043(17) 0.19279(7) 0.0216(4) Uani 1 1 d . . . . .
H6 H 0.394639 0.513025 0.190097 0.026 Uiso 1 1 calc R U . . .
C7 C 0.53239(14) 0.46931(17) 0.15422(7) 0.0210(4) Uani 1 1 d . . . . .
H7 H 0.518006 0.528490 0.125370 0.025 Uiso 1 1 calc R U . . .
C8 C 0.03487(13) 0.25253(15) 0.45919(7) 0.0161(3) Uani 1 1 d . . . . .
C9 C 0.11012(13) 0.28276(15) 0.41641(7) 0.0160(3) Uani 1 1 d . . . . .
C10 C 0.07516(14) 0.36060(17) 0.37238(7) 0.0212(4) Uani 1 1 d . . . . .
H10 H 0.001961 0.396755 0.367907 0.025 Uiso 1 1 calc R U . . .
C11 C 0.14807(15) 0.38494(18) 0.33509(7) 0.0246(4) Uani 1 1 d . . . . .
H11 H 0.125294 0.437025 0.304315 0.029 Uiso 1 1 calc R U . . .
C12 C 0.25584(14) 0.33193(17) 0.34322(7) 0.0218(4) Uani 1 1 d . . . . .
C13 C 0.28411(14) 0.25477(17) 0.38882(7) 0.0202(3) Uani 1 1 d . . . . .
H13 H 0.357176 0.218297 0.394679 0.024 Uiso 1 1 calc R U . . .
C14 C 0.33553(15) 0.35155(18) 0.30605(7) 0.0243(4) Uani 1 1 d . . . . .
C15 C 0.40216(15) 0.36325(18) 0.27460(7) 0.0241(4) Uani 1 1 d . . . . .
N2 N -0.250000 0.3431(2) 0.500000 0.0240(5) Uani 1 2 d S T P . .
H2N H -0.1965(18) 0.294(2) 0.4871(9) 0.036 Uiso 1 1 d . U . . .
C16 C -0.30236(18) 0.41947(19) 0.45349(10) 0.0352(5) Uani 1 1 d . . . . .
H16A H -0.335835 0.364554 0.423750 0.053 Uiso 1 1 calc R U . . .
H16B H -0.361275 0.472309 0.465260 0.053 Uiso 1 1 calc R U . . .
H16C H -0.244785 0.472313 0.440528 0.053 Uiso 1 1 calc R U . . .
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'
Gd Gd -0.1653 3.9035 '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
O1 Gd1 O1 137.50(6) . 2_655 ?
O1 Gd1 O1W 76.26(4) . 2_655 ?
O1 Gd1 O1W 73.98(4) 2_655 2_655 ?
O1 Gd1 O1W 73.98(4) . . ?
O1 Gd1 O1W 76.25(4) 2_655 . ?
O1W Gd1 O1W 89.77(6) 2_655 . ?
O1 Gd1 O3 122.51(4) . 4 ?
O1 Gd1 O3 79.32(4) 2_655 4 ?
O1W Gd1 O3 152.73(4) 2_655 4 ?
O1W Gd1 O3 78.44(4) . 4 ?
O1 Gd1 O3 79.32(4) . 3_554 ?
O1 Gd1 O3 122.51(4) 2_655 3_554 ?
O1W Gd1 O3 78.44(4) 2_655 3_554 ?
O1W Gd1 O3 152.73(4) . 3_554 ?
O3 Gd1 O3 121.86(5) 4 3_554 ?
O1 Gd1 N1 72.89(4) . 4 ?
O1 Gd1 N1 143.06(4) 2_655 4 ?
O1W Gd1 N1 142.84(4) 2_655 4 ?
O1W Gd1 N1 100.98(4) . 4 ?
O3 Gd1 N1 64.25(4) 4 4 ?
O3 Gd1 N1 75.96(4) 3_554 4 ?
O1 Gd1 N1 143.06(4) . 3_554 ?
O1 Gd1 N1 72.89(4) 2_655 3_554 ?
O1W Gd1 N1 100.98(4) 2_655 3_554 ?
O1W Gd1 N1 142.84(4) . 3_554 ?
O3 Gd1 N1 75.96(4) 4 3_554 ?
O3 Gd1 N1 64.25(4) 3_554 3_554 ?
N1 Gd1 N1 91.66(6) 4 3_554 ?
C1 O1 Gd1 140.92(10) . . ?
C8 O3 Gd1 126.16(9) . 3_445 ?
Gd1 O1W H1WA 129.5(17) . . ?
Gd1 O1W H1WB 110.9(16) . . ?
H1WA O1W H1WB 119(2) . . ?
C13 N1 C9 118.24(14) . . ?
C13 N1 Gd1 123.69(11) . 3_445 ?
C9 N1 Gd1 117.44(10) . 3_445 ?
O2 C1 O1 125.29(15) . . ?
O2 C1 C2 118.08(15) . . ?
O1 C1 C2 116.60(14) . . ?
C7 C2 C3 119.17(15) . . ?
C7 C2 C1 120.74(15) . . ?
C3 C2 C1 120.09(15) . . ?
C4 C3 C2 120.67(17) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 120.10(17) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 119.26(15) . . ?
C6 C5 C15 120.03(16) . . ?
C4 C5 C15 120.69(16) . . ?
C7 C6 C5 120.16(16) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C6 C7 C2 120.64(16) . . ?
C6 C7 H7 119.7 . . ?
C2 C7 H7 119.7 . . ?
O4 C8 O3 126.51(14) . . ?
O4 C8 C9 117.46(15) . . ?
O3 C8 C9 116.03(13) . . ?
N1 C9 C10 122.59(14) . . ?
N1 C9 C8 115.35(14) . . ?
C10 C9 C8 122.06(14) . . ?
C11 C10 C9 119.15(15) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C10 C11 C12 119.10(16) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C11 C12 C13 117.90(15) . . ?
C11 C12 C14 122.35(16) . . ?
C13 C12 C14 119.73(16) . . ?
N1 C13 C12 123.02(15) . . ?
N1 C13 H13 118.5 . . ?
C12 C13 H13 118.5 . . ?
C15 C14 C12 177.6(2) . . ?
C14 C15 C5 178.0(2) . . ?
C16 N2 C16 112.6(2) . 2_456 ?
C16 N2 H2N 106.6(14) . . ?
C16 N2 H2N 110.1(14) 2_456 . ?
C16 N2 H2N 110.1(14) . 2_456 ?
C16 N2 H2N 106.6(14) 2_456 2_456 ?
H2N N2 H2N 111(3) . 2_456 ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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
Gd1 O1 2.3448(11) . ?
Gd1 O1 2.3448(11) 2_655 ?
Gd1 O1W 2.3672(12) 2_655 ?
Gd1 O1W 2.3672(12) . ?
Gd1 O3 2.4105(11) 4 ?
Gd1 O3 2.4105(11) 3_554 ?
Gd1 N1 2.5790(14) 4 ?
Gd1 N1 2.5790(14) 3_554 ?
O1 C1 1.269(2) . ?
O2 C1 1.250(2) . ?
O3 C8 1.275(2) . ?
O4 C8 1.233(2) . ?
O1W H1WA 0.78(2) . ?
O1W H1WB 0.81(2) . ?
N1 C13 1.338(2) . ?
N1 C9 1.344(2) . ?
C1 C2 1.511(2) . ?
C2 C7 1.388(2) . ?
C2 C3 1.389(2) . ?
C3 C4 1.386(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.396(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(2) . ?
C5 C15 1.438(2) . ?
C6 C7 1.387(2) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.517(2) . ?
C9 C10 1.385(2) . ?
C10 C11 1.381(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.398(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.398(2) . ?
C12 C14 1.430(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.197(2) . ?
N2 C16 1.474(2) . ?
N2 C16 1.474(2) 2_456 ?
N2 H2N 0.92(2) . ?
N2 H2N 0.92(2) 2_456 ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O1W H1WA O3 0.78(2) 1.99(2) 2.7727(16) 176(2) 8_654 yes
O1W H1WB O2 0.81(2) 1.81(2) 2.6050(17) 166(2) . yes
N2 H2N O4 0.92(2) 1.95(2) 2.7251(11) 141(2) . 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
_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 O1 C1 O2 1.7(3) . . . . ?
Gd1 O1 C1 C2 179.75(11) . . . . ?
O2 C1 C2 C7 177.99(16) . . . . ?
O1 C1 C2 C7 -0.2(2) . . . . ?
O2 C1 C2 C3 -2.2(3) . . . . ?
O1 C1 C2 C3 179.59(16) . . . . ?
C7 C2 C3 C4 -1.0(3) . . . . ?
C1 C2 C3 C4 179.17(17) . . . . ?
C2 C3 C4 C5 1.2(3) . . . . ?
C3 C4 C5 C6 -0.5(3) . . . . ?
C3 C4 C5 C15 177.58(19) . . . . ?
C4 C5 C6 C7 -0.3(3) . . . . ?
C15 C5 C6 C7 -178.39(17) . . . . ?
C5 C6 C7 C2 0.4(3) . . . . ?
C3 C2 C7 C6 0.2(3) . . . . ?
C1 C2 C7 C6 -179.99(16) . . . . ?
Gd1 O3 C8 O4 179.30(13) 3_445 . . . ?
Gd1 O3 C8 C9 -0.8(2) 3_445 . . . ?
C13 N1 C9 C10 0.5(3) . . . . ?
Gd1 N1 C9 C10 -170.70(13) 3_445 . . . ?
C13 N1 C9 C8 -178.82(15) . . . . ?
Gd1 N1 C9 C8 9.99(18) 3_445 . . . ?
O4 C8 C9 N1 173.44(15) . . . . ?
O3 C8 C9 N1 -6.5(2) . . . . ?
O4 C8 C9 C10 -5.9(2) . . . . ?
O3 C8 C9 C10 174.18(16) . . . . ?
N1 C9 C10 C11 0.3(3) . . . . ?
C8 C9 C10 C11 179.58(16) . . . . ?
C9 C10 C11 C12 -1.0(3) . . . . ?
C10 C11 C12 C13 0.8(3) . . . . ?
C10 C11 C12 C14 179.21(18) . . . . ?
C9 N1 C13 C12 -0.6(3) . . . . ?
Gd1 N1 C13 C12 169.96(13) 3_445 . . . ?
C11 C12 C13 N1 0.0(3) . . . . ?
C14 C12 C13 N1 -178.45(17) . . . . ?
