#------------------------------------------------------------------------------
#$Date: 2024-12-06 19:31:16 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/92/7249296.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_7249296
loop_
_publ_author_name
'Wang, Shengyu'
'Macreadie, Lauren K.'
'Hanton, Lyall R.'
_publ_section_title
;
 Pillared lanthanide metal organic frameworks with sinusoidal channels
 formed from bent mixed-donor phenanthroline based ligands of different
 length
;
_journal_issue                   39
_journal_name_full               CrystEngComm
_journal_page_first              5541
_journal_page_last               5549
_journal_paper_doi               10.1039/D4CE00691G
_journal_volume                  26
_journal_year                    2024
_chemical_formula_sum            'C34 H19 N4 Nd O6'
_chemical_formula_weight         723.77
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-08-19 deposited with the CCDC.	2024-09-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.242(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.278(2)
_cell_length_b                   19.807(3)
_cell_length_c                   13.8628(13)
_cell_measurement_reflns_used    3619
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      71.1840
_cell_measurement_theta_min      3.0370
_cell_volume                     5567.9(11)
_computing_cell_refinement       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.1725
_diffrn_measured_fraction_theta_full 0.678
_diffrn_measured_fraction_theta_max 0.650
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0660
_diffrn_reflns_av_unetI/netI     0.1028
_diffrn_reflns_Laue_measured_fraction_full 0.678
_diffrn_reflns_Laue_measured_fraction_max 0.650
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12874
_diffrn_reflns_point_group_measured_fraction_full 0.678
_diffrn_reflns_point_group_measured_fraction_max 0.650
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.978
_diffrn_reflns_theta_min         3.119
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    7.355
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.89a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.863
_exptl_crystal_description       rhomb
_exptl_crystal_F_000             1436
_exptl_crystal_size_max          0.102
_exptl_crystal_size_mid          0.083
_exptl_crystal_size_min          0.075
_refine_diff_density_max         6.100
_refine_diff_density_min         -2.399
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         7098
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1738
_refine_ls_R_factor_gt           0.1502
_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)+(0.4000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4320
_refine_ls_wR_factor_ref         0.4566
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4824
_reflns_number_total             7098
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00691g2.cif
_cod_data_source_block           Nd-MOF2
_cod_depositor_comments
'Adding full bibliography for 7249294--7249298.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7249296
_shelx_shelxl_version_number     2018/3
_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.
;
_exptl_absorpt_special_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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
C1 C 0.1943(11) 0.4014(15) 0.5860(19) 0.085(9) Uani 1 1 d . . . . .
H1 H 0.154007 0.392500 0.618217 0.102 Uiso 1 1 calc R U . . .
C2 C 0.1756(15) 0.5118(14) 0.2363(14) 0.079(8) Uani 1 1 d . . . . .
H2 H 0.134836 0.510370 0.202317 0.095 Uiso 1 1 calc R U . . .
C3 C 0.2487(10) 0.3874(15) 0.6353(19) 0.078(8) Uani 1 1 d . . . . .
H3 H 0.246257 0.370377 0.699186 0.094 Uiso 1 1 calc R U . . .
C4 C 0.2493(9) 0.4446(13) 0.4568(18) 0.066(7) Uani 1 1 d . . . . .
C5 C 0.2427(7) 0.4771(12) 0.3668(15) 0.052(5) Uani 1 1 d . . . . .
C6 C 0.2407(14) 0.5361(15) 0.192(2) 0.088(9) Uani 1 1 d . . . . .
H6 H 0.237562 0.565089 0.137774 0.105 Uiso 1 1 calc R U . . .
C7 C 0.3098(13) 0.3983(16) 0.591(2) 0.088(9) Uani 1 1 d . . . . .
H7 H 0.350127 0.388949 0.623594 0.106 Uiso 1 1 calc R U . . .
C8 C 0.3082(11) 0.4231(14) 0.4996(18) 0.065(6) Uani 1 1 d . . . . .
C9 C 0.3006(9) 0.4961(15) 0.314(2) 0.077(8) Uani 1 1 d . . . . .
C10 C 0.2976(8) 0.5215(14) 0.2209(14) 0.066(7) Uani 1 1 d . . . . .
H10 H 0.335687 0.527457 0.182077 0.079 Uiso 1 1 calc R U . . .
C11 C 0.3652(14) 0.4357(16) 0.450(2) 0.081(8) Uani 1 1 d . . . . .
C12 C 0.3619(10) 0.4715(13) 0.3568(16) 0.062(6) Uani 1 1 d . . . . .
C13 C 0.4652(12) 0.4474(14) 0.381(2) 0.079(8) Uani 1 1 d . . . . .
C14 C 0.5337(11) 0.4314(16) 0.362(2) 0.085(8) Uani 1 1 d . . . . .
C15 C 0.5747(9) 0.4143(16) 0.4387(16) 0.070(7) Uani 1 1 d . . . . .
H15 H 0.557928 0.410740 0.502318 0.084 Uiso 1 1 calc R U . . .
C16 C 0.5602(11) 0.4405(16) 0.274(2) 0.083(8) Uani 1 1 d . . . . .
H16 H 0.534077 0.458363 0.222637 0.100 Uiso 1 1 calc R U . . .
C17 C 0.6448(8) 0.4021(13) 0.4185(17) 0.069(7) Uani 1 1 d . . . . .
H17 H 0.673573 0.389991 0.469978 0.083 Uiso 1 1 calc R U . . .
C18 C 0.6228(13) 0.4245(18) 0.258(2) 0.091(9) Uani 1 1 d . . . . .
H18 H 0.636945 0.424448 0.192931 0.109 Uiso 1 1 calc R U . . .
C19 C 0.6695(11) 0.4078(13) 0.3269(17) 0.064(6) Uani 1 1 d . . . . .
C20 C 0.7357(11) 0.3970(14) 0.3012(18) 0.073(7) Uani 1 1 d . . . . .
C21 C 0.7899(10) 0.4132(16) 0.3640(19) 0.075(7) Uani 1 1 d . . . . .
H21 H 0.780134 0.434872 0.423462 0.090 Uiso 1 1 calc R U . . .
C22 C 0.7528(14) 0.3602(18) 0.215(2) 0.097(9) Uani 1 1 d . . . . .
H22 H 0.719151 0.347054 0.171156 0.116 Uiso 1 1 calc R U . . .
C23 C 0.8548(11) 0.3997(14) 0.3440(18) 0.071(7) Uani 1 1 d . . . . .
C24 C 0.8159(11) 0.344(2) 0.197(2) 0.115(14) Uani 1 1 d . . . . .
H24 H 0.825900 0.317256 0.142299 0.138 Uiso 1 1 calc R U . . .
C25 C 0.8671(11) 0.3674(15) 0.256(2) 0.083(8) Uani 1 1 d . . . . .
H25 H 0.911467 0.360941 0.236324 0.099 Uiso 1 1 calc R U . . .
C26 C 0.9065(10) 0.4204(13) 0.4055(16) 0.058(5) Uani 1 1 d . . . . .
C27 C 1.0001(7) 0.4147(15) 0.6534(17) 0.072(7) Uani 1 1 d . . . . .
C28 C 1.0205(11) 0.3586(12) 0.6985(14) 0.059(6) Uani 1 1 d . . . . .
C29 C 1.0121(11) 0.3472(16) 0.797(2) 0.087(9) Uani 1 1 d . . . . .
H29 H 0.992326 0.381340 0.835153 0.104 Uiso 1 1 calc R U . . .
C30 C 1.0481(12) 0.3067(13) 0.6430(15) 0.066(6) Uani 1 1 d . . . . .
H30 H 1.056303 0.313716 0.576314 0.079 Uiso 1 1 calc R U . . .
C31 C 1.0315(14) 0.2882(15) 0.8391(19) 0.087(9) Uani 1 1 d . . . . .
H31 H 1.025364 0.281261 0.906294 0.105 Uiso 1 1 calc R U . . .
C32 C 1.0636(9) 0.2437(12) 0.6861(14) 0.054(5) Uani 1 1 d . . . . .
H32 H 1.075222 0.206662 0.645969 0.065 Uiso 1 1 calc R U . . .
C33 C 1.0624(9) 0.2353(11) 0.7790(15) 0.054(5) Uani 1 1 d . . . . .
C34 C 1.0816(8) 0.1691(15) 0.8292(16) 0.065(7) Uani 1 1 d . . . . .
N1 N 0.1892(10) 0.4252(13) 0.5012(15) 0.076(6) Uani 1 1 d . . . . .
N2 N 0.1828(9) 0.4932(11) 0.3259(14) 0.066(5) Uani 1 1 d . . . . .
N3 N 0.4306(8) 0.4288(12) 0.4591(14) 0.072(6) Uani 1 1 d . . . . .
H3A H 0.449289 0.413441 0.512129 0.086 Uiso 1 1 calc R U . . .
N4 N 0.4245(8) 0.4722(12) 0.3167(15) 0.074(6) Uani 1 1 d . . . . .
O1 O 0.8889(7) 0.4471(7) 0.4902(10) 0.053(4) Uani 1 1 d . . . . .
O2 O 0.9651(6) 0.4152(8) 0.3794(11) 0.060(4) Uani 1 1 d . . . . .
O3 O 0.9573(7) 0.4571(7) 0.6948(10) 0.058(4) Uani 1 1 d . . . . .
O4 O 1.0242(7) 0.4414(8) 0.5745(9) 0.059(4) Uani 1 1 d . . . . .
O5 O 1.0892(6) 0.1197(8) 0.7779(10) 0.054(4) Uani 1 1 d . . . . .
O6 O 1.0816(6) 0.1699(8) 0.9233(9) 0.056(4) Uani 1 1 d . . . . .
Nd1 Nd 1.07392(4) 0.45684(6) 0.42009(7) 0.0438(5) Uani 1 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -3.1807 10.9079 '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 C1 C3 128(3) . . ?
N2 C2 C6 112(2) . . ?
C1 C3 C7 119(3) . . ?
C8 C4 C5 126.3(19) . . ?
C8 C4 N1 118(2) . . ?
C5 C4 N1 115.4(17) . . ?
N2 C5 C4 123.4(17) . . ?
N2 C5 C9 117(2) . . ?
C4 C5 C9 120.0(17) . . ?
C10 C6 C2 126(2) . . ?
C8 C7 C3 116(2) . . ?
C7 C8 C11 121(2) . . ?
C7 C8 C4 121(2) . . ?
C11 C8 C4 117(2) . . ?
C10 C9 C5 122.7(18) . . ?
C10 C9 C12 122.5(19) . . ?
C5 C9 C12 113(2) . . ?
C6 C10 C9 114.6(19) . . ?
N3 C11 C8 140(2) . . ?
N3 C11 C12 100(2) . . ?
C8 C11 C12 120(2) . . ?
N4 C12 C9 128(2) . . ?
N4 C12 C11 108(2) . . ?
C9 C12 C11 124(2) . . ?
N4 C13 N3 109(2) . . ?
N4 C13 C14 124(3) . . ?
N3 C13 C14 127(2) . . ?
C16 C14 C15 119(2) . . ?
C16 C14 C13 122(3) . . ?
C15 C14 C13 119(3) . . ?
C14 C15 C17 118(2) . . ?
C18 C16 C14 120(3) . . ?
C19 C17 C15 121(2) . . ?
C16 C18 C19 127(3) . . ?
C17 C19 C18 114(2) . . ?
C17 C19 C20 125(2) . . ?
C18 C19 C20 121(2) . . ?
C19 C20 C21 123(2) . . ?
C19 C20 C22 121(2) . . ?
C21 C20 C22 115(2) . . ?
C23 C21 C20 124(3) . . ?
C24 C22 C20 121(3) . . ?
C21 C23 C25 116(2) . . ?
C21 C23 C26 122(2) . . ?
C25 C23 C26 122(2) . . ?
C22 C24 C25 121(3) . . ?
C23 C25 C24 122(2) . . ?
O2 C26 O1 123.0(18) . . ?
O2 C26 C23 120(2) . . ?
O1 C26 C23 116.5(19) . . ?
O4 C27 C28 128(2) . . ?
O4 C27 O3 110(2) . . ?
C28 C27 O3 121(2) . . ?
C27 C28 C29 123(2) . . ?
C27 C28 C30 118(2) . . ?
C29 C28 C30 118(2) . . ?
C31 C29 C28 122(2) . . ?
C28 C30 C32 120(2) . . ?
C29 C31 C33 119(2) . . ?
C33 C32 C30 122(2) . . ?
C32 C33 C31 119(2) . . ?
C32 C33 C34 124(2) . . ?
C31 C33 C34 117.2(19) . . ?
O5 C34 O6 126(2) . . ?
O5 C34 C33 117.0(19) . . ?
O6 C34 C33 116(2) . . ?
O5 C34 Nd1 63.5(13) . 4_566 ?
O6 C34 Nd1 63.9(12) . 4_566 ?
C33 C34 Nd1 162.0(11) . 4_566 ?
C1 N1 C4 116(2) . . ?
C1 N1 Nd1 123.1(17) . 1_455 ?
C4 N1 Nd1 120.4(15) . 1_455 ?
C2 N2 C5 124(2) . . ?
C2 N2 Nd1 116.9(17) . 1_455 ?
C5 N2 Nd1 117.8(15) . 1_455 ?
C11 N3 C13 114(2) . . ?
C13 N4 C12 107(2) . . ?
C26 O1 Nd1 133.4(13) . 3_766 ?
C26 O2 Nd1 140.6(14) . . ?
C27 O3 Nd1 109.2(14) . 3_766 ?
C27 O4 Nd1 163.5(17) . . ?
C27 O4 Nd1 90.1(13) . 3_766 ?
Nd1 O4 Nd1 103.4(5) . 3_766 ?
C34 O5 Nd1 90.6(12) . 4_566 ?
C34 O6 Nd1 88.3(15) . 4_566 ?
O4 Nd1 O1 76.6(5) . 3_766 ?
O4 Nd1 O3 124.8(5) . 3_766 ?
O1 Nd1 O3 82.1(5) 3_766 3_766 ?
O4 Nd1 O2 77.1(5) . . ?
O1 Nd1 O2 132.6(5) 3_766 . ?
O3 Nd1 O2 81.4(5) 3_766 . ?
O4 Nd1 O5 132.9(5) . 4_565 ?
O1 Nd1 O5 148.2(5) 3_766 4_565 ?
O3 Nd1 O5 86.6(5) 3_766 4_565 ?
O2 Nd1 O5 74.1(5) . 4_565 ?
O4 Nd1 O6 83.3(5) . 4_565 ?
O1 Nd1 O6 139.9(4) 3_766 4_565 ?
O3 Nd1 O6 137.0(5) 3_766 4_565 ?
O2 Nd1 O6 73.8(5) . 4_565 ?
O5 Nd1 O6 53.3(4) 4_565 4_565 ?
O4 Nd1 N1 88.0(6) . 1_655 ?
O1 Nd1 N1 72.2(6) 3_766 1_655 ?
O3 Nd1 N1 132.2(6) 3_766 1_655 ?
O2 Nd1 N1 144.7(7) . 1_655 ?
O5 Nd1 N1 94.5(6) 4_565 1_655 ?
O6 Nd1 N1 72.8(6) 4_565 1_655 ?
O4 Nd1 N2 145.7(5) . 1_655 ?
O1 Nd1 N2 77.3(5) 3_766 1_655 ?
O3 Nd1 N2 72.7(6) 3_766 1_655 ?
O2 Nd1 N2 137.2(5) . 1_655 ?
O5 Nd1 N2 70.9(5) 4_565 1_655 ?
O6 Nd1 N2 103.1(5) 4_565 1_655 ?
N1 Nd1 N2 62.9(6) 1_655 1_655 ?
O4 Nd1 C34 108.3(7) . 4_565 ?
O1 Nd1 C34 157.6(5) 3_766 4_565 ?
O3 Nd1 C34 110.3(7) 3_766 4_565 ?
O2 Nd1 C34 69.1(5) . 4_565 ?
O5 Nd1 C34 25.8(6) 4_565 4_565 ?
O6 Nd1 C34 27.7(6) 4_565 4_565 ?
N1 Nd1 C34 86.0(7) 1_655 4_565 ?
N2 Nd1 C34 88.4(6) 1_655 4_565 ?
O4 Nd1 O4 76.6(5) . 3_766 ?
O1 Nd1 O4 68.9(5) 3_766 3_766 ?
O3 Nd1 O4 48.2(4) 3_766 3_766 ?
O2 Nd1 O4 67.0(5) . 3_766 ?
O5 Nd1 O4 122.7(4) 4_565 3_766 ?
O6 Nd1 O4 138.9(4) 4_565 3_766 ?
N1 Nd1 O4 140.4(6) 1_655 3_766 ?
N2 Nd1 O4 113.8(6) 1_655 3_766 ?
C34 Nd1 O4 133.4(5) 4_565 3_766 ?
O4 Nd1 Nd1 42.1(4) . 3_766 ?
O1 Nd1 Nd1 67.5(3) 3_766 3_766 ?
O3 Nd1 Nd1 82.7(3) 3_766 3_766 ?
O2 Nd1 Nd1 66.5(4) . 3_766 ?
O5 Nd1 Nd1 140.2(3) 4_565 3_766 ?
O6 Nd1 Nd1 116.8(3) 4_565 3_766 ?
N1 Nd1 Nd1 120.7(5) 1_655 3_766 ?
N2 Nd1 Nd1 139.3(4) 1_655 3_766 ?
C34 Nd1 Nd1 131.0(4) 4_565 3_766 ?
O4 Nd1 Nd1 34.5(3) 3_766 3_766 ?
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
C1 N1 1.27(3) . ?
C1 C3 1.32(3) . ?
C2 N2 1.30(3) . ?
C2 C6 1.54(4) . ?
C3 C7 1.40(3) . ?
C4 C8 1.40(3) . ?
C4 C5 1.41(3) . ?
C4 N1 1.42(3) . ?
C5 N2 1.38(2) . ?
C5 C9 1.44(3) . ?
C6 C10 1.25(3) . ?
C7 C8 1.36(3) . ?
C8 C11 1.37(3) . ?
C9 C10 1.38(3) . ?
C9 C12 1.46(3) . ?
C11 N3 1.34(3) . ?
C11 C12 1.47(3) . ?
C12 N4 1.39(3) . ?
C13 N4 1.31(3) . ?
C13 N3 1.34(3) . ?
C13 C14 1.45(3) . ?
C14 C16 1.35(4) . ?
C14 C15 1.39(4) . ?
C15 C17 1.47(2) . ?
C16 C18 1.33(4) . ?
C17 C19 1.37(3) . ?
C18 C19 1.38(3) . ?
C19 C20 1.41(3) . ?
C20 C21 1.44(3) . ?
C20 C22 1.44(4) . ?
C21 C23 1.37(3) . ?
C22 C24 1.34(4) . ?
C23 C25 1.40(4) . ?
C23 C26 1.41(3) . ?
C24 C25 1.40(4) . ?
C26 O2 1.25(3) . ?
C26 O1 1.34(3) . ?
C27 O4 1.31(3) . ?
C27 C28 1.34(3) . ?
C27 O3 1.34(3) . ?
C28 C29 1.39(3) . ?
C28 C30 1.40(3) . ?
C29 C31 1.37(4) . ?
C30 C32 1.42(3) . ?
C31 C33 1.48(3) . ?
C32 C33 1.30(3) . ?
C33 C34 1.53(3) . ?
C34 O5 1.22(3) . ?
C34 O6 1.30(2) . ?
C34 Nd1 2.80(2) 4_566 ?
N1 Nd1 2.664(19) 1_455 ?
N2 Nd1 2.669(19) 1_455 ?
O1 Nd1 2.393(13) 3_766 ?
O2 Nd1 2.420(13) . ?
O3 Nd1 2.416(13) 3_766 ?
O4 Nd1 2.389(14) . ?
O4 Nd1 2.832(16) 3_766 ?
O5 Nd1 2.506(15) 4_566 ?
O6 Nd1 2.516(17) 4_566 ?
Nd1 Nd1 4.1080(19) 3_766 ?
