#------------------------------------------------------------------------------
#$Date: 2020-10-06 09:10:49 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257243 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/71/7127174.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_7127174
loop_
_publ_author_name
'Prodius, Denis'
'Klocke, Matthew'
'Smetana, Volodymyr'
'Alammar, Tarek'
'Perez Garcia, Marilu'
'Windus, Theresa L.'
'Nlebedim, Ikenna C.'
'Mudring, Anja-Verena'
_publ_section_title
;
 Rationally designed rare earth separation by selective oxalate
 solubilization.
;
_journal_issue                   77
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              11386
_journal_page_last               11389
_journal_paper_doi               10.1039/d0cc02270e
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C28 H35 Lu N10 O18'
_chemical_formula_weight         974.63
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2019-02-19 deposited with the CCDC.	2020-08-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.6189(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0002(2)
_cell_length_b                   17.5085(3)
_cell_length_c                   18.0660(4)
_cell_measurement_reflns_used    61720
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      42.136
_cell_measurement_theta_min      2.073
_cell_volume                     3752.90(12)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            61720
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.250
_diffrn_reflns_theta_max         42.136
_diffrn_reflns_theta_min         2.073
_exptl_absorpt_coefficient_mu    2.721
_exptl_absorpt_correction_T_max  0.18
_exptl_absorpt_correction_T_min  0.11
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_description       'irregular fragment'
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.156
_refine_diff_density_min         -1.372
_refine_diff_density_rms         0.127
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.171(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.739
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         23248
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.739
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.1099
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.981
_reflns_number_gt                19155
_reflns_number_total             23248
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc02270e2.cif
_cod_data_source_block           1120
_cod_depositor_comments
'Adding full bibliography for 7127165--7127177.cif.'
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7127174
_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   0.773
_shelx_estimated_absorpt_t_max   0.773
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -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 0.3096(5) 0.6101(3) 0.8359(3) 0.0281(8) Uani 1 1 d . . . . .
C2 C 0.3157(6) 0.6348(3) 0.6115(4) 0.0204(9) Uani 1 1 d . . . . .
C3 C -0.0870(6) 0.6445(3) 0.7981(4) 0.0239(11) Uani 1 1 d . . . . .
C4 C -0.0468(6) 0.7257(4) 0.7848(4) 0.0249(11) Uani 1 1 d . . . . .
C5 C 0.2784(4) 0.5247(3) 0.8187(3) 0.0212(7) Uani 1 1 d . . . . .
C7 C 0.2748(5) 0.7192(3) 0.6236(4) 0.0205(9) Uani 1 1 d . . . . .
C10 C -0.1144(4) 0.5994(2) 0.5981(3) 0.0225(6) Uani 1 1 d . . . . .
C14 C -0.0654(4) 0.5172(3) 0.6082(3) 0.0230(8) Uani 1 1 d . . . . .
O1 O 0.0376(4) 0.7299(3) 0.7518(3) 0.0251(8) Uani 1 1 d . . . . .
O2 O -0.0285(4) 0.5913(2) 0.7748(3) 0.0270(9) Uani 1 1 d . . . . .
O3 O -0.1690(7) 0.6326(4) 0.8311(5) 0.0370(16) Uani 1 1 d . . . . .
O4 O -0.1030(5) 0.7810(3) 0.8052(3) 0.0306(9) Uani 1 1 d . . . . .
O5 O 0.2559(4) 0.5830(2) 0.6369(3) 0.0254(8) Uani 1 1 d . . . . .
O6 O 0.1850(4) 0.7225(3) 0.6524(3) 0.0243(8) Uani 1 1 d . . . . .
O7 O 0.4004(7) 0.6263(3) 0.5807(5) 0.0330(13) Uani 1 1 d . . . . .
O8 O 0.3272(6) 0.7717(3) 0.6032(4) 0.0420(14) Uani 1 1 d . . . . .
O9 O -0.2162(3) 0.6089(2) 0.5769(3) 0.0317(7) Uani 1 1 d . . . . .
O10 O -0.1265(4) 0.4620(2) 0.5836(3) 0.0326(8) Uani 1 1 d . . . . .
O11 O 0.0349(4) 0.5126(3) 0.6406(3) 0.0269(9) Uani 1 1 d . . . . .
O12 O -0.0399(4) 0.6519(2) 0.6145(3) 0.0262(8) Uani 1 1 d . . . . .
O13 O 0.3904(8) 0.6246(3) 0.8838(6) 0.076(3) Uani 1 1 d . . . . .
O14 O 0.2466(5) 0.6577(3) 0.7994(3) 0.0291(8) Uani 1 1 d . . . . .
O15 O 0.3370(4) 0.4733(2) 0.8517(3) 0.0321(7) Uani 1 1 d . . . . .
O16 O 0.1899(4) 0.5153(2) 0.7708(3) 0.0232(8) Uani 1 1 d . . . . .
Lu1 Lu 0.11072(3) 0.61975(2) 0.70449(2) 0.01738(3) Uani 1 1 d . . . . .
C6 C 0.3203(5) 0.3104(3) 0.6058(4) 0.0379(11) Uani 1 1 d . . . . .
H6A H 0.3520 0.2673 0.5873 0.046 Uiso 1 1 calc R U . . .
C11 C 0.2144(6) 0.3855(2) 0.6644(4) 0.0329(10) Uani 1 1 d . . . . .
H11A H 0.1610 0.4023 0.6930 0.039 Uiso 1 1 calc R U . . .
C13 C 0.2819(4) 0.4293(2) 0.6315(3) 0.0260(7) Uani 1 1 d . . . . .
H13A H 0.2837 0.4824 0.6330 0.031 Uiso 1 1 calc R U . . .
C28 C 0.1803(6) 0.2457(3) 0.6755(3) 0.0347(9) Uani 1 1 d . . . . .
H28A H 0.1908 0.2028 0.6441 0.042 Uiso 1 1 calc R U . . .
H28B H 0.1012 0.2558 0.6731 0.042 Uiso 1 1 calc R U . . .
H1 H 0.2124 0.2344 0.7262 0.042 Uiso 1 1 calc R U . . .
N9 N 0.2359(4) 0.3128(2) 0.6495(2) 0.0278(6) Uani 1 1 d . . . . .
N10 N 0.3474(9) 0.3849(3) 0.5955(6) 0.040(2) Uani 1 1 d . . . . .
H10A H 0.3981 0.4007 0.5702 0.049 Uiso 1 1 calc R U . . .
C8 C 0.5514(4) 0.4288(3) 0.7564(3) 0.0300(8) Uani 1 1 d . . . . .
H8A H 0.5023 0.4222 0.7911 0.036 Uiso 1 1 calc R U . . .
C18 C 0.5593(6) 0.5698(4) 0.7614(5) 0.0447(13) Uani 1 1 d . . . . .
H18A H 0.5949 0.6090 0.7361 0.067 Uiso 1 1 calc R U . . .
H18B H 0.4791 0.5770 0.7525 0.067 Uiso 1 1 calc R U . . .
H18C H 0.5857 0.5726 0.8142 0.067 Uiso 1 1 calc R U . . .
C23 C 0.6601(6) 0.4815(3) 0.6830(4) 0.0331(11) Uani 1 1 d . . . . .
H23A H 0.6980 0.5178 0.6586 0.040 Uiso 1 1 calc R U . . .
C26 C 0.5981(4) 0.3729(2) 0.7213(3) 0.0252(7) Uani 1 1 d . . . . .
H26A H 0.5860 0.3209 0.7271 0.030 Uiso 1 1 calc R U . . .
N7 N 0.5867(4) 0.4959(3) 0.7336(3) 0.0292(8) Uani 1 1 d . . . . .
N8 N 0.6666(5) 0.4043(3) 0.6757(3) 0.0375(9) Uani 1 1 d . . . . .
H8B H 0.7063 0.3800 0.6475 0.045 Uiso 1 1 calc R U . . .
C9 C 0.4903(6) 0.7585(4) 0.5133(4) 0.0305(12) Uani 1 1 d . . . . .
H9A H 0.4440 0.7291 0.5390 0.037 Uiso 1 1 calc R U . . .
C17 C 0.6032(7) 0.9347(4) 0.4577(4) 0.0456(14) Uani 1 1 d . . . . .
H17A H 0.6588 0.9353 0.4247 0.068 Uiso 1 1 calc R U . . .
H17B H 0.5376 0.9622 0.4352 0.068 Uiso 1 1 calc R U . . .
H17C H 0.6335 0.9584 0.5043 0.068 Uiso 1 1 calc R U . . .
C19 C 0.4969(5) 0.8316(4) 0.5147(3) 0.0394(12) Uani 1 1 d . . . . .
H19A H 0.4558 0.8637 0.5415 0.047 Uiso 1 1 calc R U . . .
C20 C 0.6139(5) 0.7917(4) 0.4412(3) 0.0345(10) Uani 1 1 d . . . . .
H20A H 0.6671 0.7907 0.4087 0.041 Uiso 1 1 calc R U . . .
N5 N 0.5717(4) 0.8547(3) 0.4716(2) 0.0324(8) Uani 1 1 d . . . . .
N6 N 0.5626(6) 0.7306(4) 0.4679(3) 0.0440(12) Uani 1 1 d . . . . .
H6B H 0.5735 0.6834 0.4582 0.053 Uiso 1 1 calc R U . . .
C12 C 0.6203(4) 0.1745(3) 0.4614(3) 0.0295(8) Uani 1 1 d . . . . .
H12A H 0.5788 0.1394 0.4846 0.035 Uiso 1 1 calc R U . . .
C15 C 0.6874(5) 0.2837(3) 0.4253(3) 0.0314(9) Uani 1 1 d . . . . .
H15A H 0.7006 0.3355 0.4195 0.038 Uiso 1 1 calc R U . . .
C21 C 0.6988(5) 0.1582(3) 0.4170(3) 0.0323(9) Uani 1 1 d . . . . .
H21A H 0.7214 0.1098 0.4040 0.039 Uiso 1 1 calc R U . . .
C24 C 0.5398(5) 0.2957(3) 0.5083(3) 0.0322(9) Uani 1 1 d . . . . .
H24A H 0.4950 0.2607 0.5323 0.048 Uiso 1 1 calc R U . . .
H24B H 0.5849 0.3262 0.5456 0.048 Uiso 1 1 calc R U . . .
H24C H 0.4913 0.3282 0.4751 0.048 Uiso 1 1 calc R U . . .
N3 N 0.6139(3) 0.2525(2) 0.4655(2) 0.0258(6) Uani 1 1 d . . . . .
N4 N 0.7381(6) 0.2257(4) 0.3951(4) 0.0318(11) Uani 1 1 d . . . . .
H4A H 0.7883 0.2307 0.3661 0.038 Uiso 1 1 calc R U . . .
C16 C 0.9603(10) 0.6304(6) 0.2559(5) 0.060(2) Uani 1 1 d . . . . .
H16A H 0.9743 0.5809 0.2364 0.089 Uiso 1 1 calc R U . . .
H16B H 0.9207 0.6614 0.2167 0.089 Uiso 1 1 calc R U . . .
H16C H 1.0308 0.6542 0.2752 0.089 Uiso 1 1 calc R U . . .
C22 C 0.8581(5) 0.5525(3) 0.3403(4) 0.0374(11) Uani 1 1 d . . . . .
H22A H 0.8729 0.5049 0.3212 0.045 Uiso 1 1 calc R U . . .
C25 C 0.8014(5) 0.5651(4) 0.3949(3) 0.0360(10) Uani 1 1 d . . . . .
H25A H 0.7675 0.5275 0.4203 0.043 Uiso 1 1 calc R U . . .
C27 C 0.8535(6) 0.6755(3) 0.3583(4) 0.0421(12) Uani 1 1 d . . . . .
H27A H 0.8623 0.7280 0.3539 0.051 Uiso 1 1 calc R U . . .
N1 N 0.8926(10) 0.6223(4) 0.3157(5) 0.0379(17) Uani 1 1 d . . . . .
N2 N 0.7987(7) 0.6396(5) 0.4095(4) 0.0537(15) Uani 1 1 d . . . . .
H2A H 0.7682 0.6610 0.4443 0.064 Uiso 1 1 calc R U . . .
O1W O 0.6956(3) 0.4643(2) 0.4718(2) 0.0327(7) Uani 1 1 d . . . . .
O2W O 0.4834(5) 0.5129(4) 0.4900(4) 0.066(2) 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 0.0033 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'
Lu Lu -0.4720 5.8584 '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
O13 C1 O14 126.0(5) . . ?
O13 C1 C5 118.6(5) . . ?
O14 C1 C5 115.3(5) . . ?
O7 C2 O5 128.0(6) . . ?
O7 C2 C7 117.9(6) . . ?
O5 C2 C7 114.1(5) . . ?
O3 C3 O2 123.4(6) . . ?
O3 C3 C4 121.5(6) . . ?
O2 C3 C4 115.1(5) . . ?
O1 C4 O4 126.7(6) . . ?
O1 C4 C3 115.2(6) . . ?
O4 C4 C3 118.0(6) . . ?
O15 C5 O16 126.0(5) . . ?
O15 C5 C1 119.9(5) . . ?
O16 C5 C1 114.1(4) . . ?
O8 C7 O6 127.3(6) . . ?
O8 C7 C2 119.0(6) . . ?
O6 C7 C2 113.6(5) . . ?
O9 C10 O12 126.7(4) . . ?
O9 C10 C14 119.9(4) . . ?
O12 C10 C14 113.4(4) . . ?
O10 C14 O11 125.7(5) . . ?
O10 C14 C10 118.8(5) . . ?
O11 C14 C10 115.5(4) . . ?
C4 O1 Lu1 120.1(4) . . ?
C3 O2 Lu1 120.4(4) . . ?
C2 O5 Lu1 119.2(4) . . ?
C7 O6 Lu1 123.0(4) . . ?
C14 O11 Lu1 117.2(3) . . ?
C10 O12 Lu1 115.6(3) . . ?
C1 O14 Lu1 120.8(4) . . ?
C5 O16 Lu1 119.1(3) . . ?
O6 Lu1 O12 80.21(18) . . ?
O6 Lu1 O2 139.67(15) . . ?
O12 Lu1 O2 83.38(19) . . ?
O6 Lu1 O14 78.48(19) . . ?
O12 Lu1 O14 148.57(11) . . ?
O2 Lu1 O14 98.3(2) . . ?
O6 Lu1 O11 125.71(19) . . ?
O12 Lu1 O11 68.87(16) . . ?
O2 Lu1 O11 80.57(18) . . ?
O14 Lu1 O11 142.53(17) . . ?
O6 Lu1 O16 133.18(18) . . ?
O12 Lu1 O16 140.77(16) . . ?
O2 Lu1 O16 79.58(17) . . ?
O14 Lu1 O16 69.42(16) . . ?
O11 Lu1 O16 73.61(10) . . ?
O6 Lu1 O1 71.96(11) . . ?
O12 Lu1 O1 76.07(18) . . ?
O2 Lu1 O1 68.41(15) . . ?
O14 Lu1 O1 75.50(19) . . ?
O11 Lu1 O1 135.29(18) . . ?
O16 Lu1 O1 127.73(17) . . ?
O6 Lu1 O5 68.65(15) . . ?
O12 Lu1 O5 105.22(18) . . ?
O2 Lu1 O5 151.65(11) . . ?
O14 Lu1 O5 88.16(19) . . ?
O11 Lu1 O5 77.72(17) . . ?
O16 Lu1 O5 76.96(16) . . ?
O1 Lu1 O5 139.60(15) . . ?
N10 C6 N9 105.1(5) . . ?
C13 C11 N9 108.3(5) . . ?
C11 C13 N10 108.9(5) . . ?
C11 N9 C6 109.1(5) . . ?
C11 N9 C28 126.2(5) . . ?
C6 N9 C28 124.7(4) . . ?
C13 N10 C6 108.6(8) . . ?
N7 C8 C26 108.9(5) . . ?
N8 C23 N7 107.3(5) . . ?
C8 C26 N8 108.9(4) . . ?
C8 N7 C23 107.8(5) . . ?
C8 N7 C18 125.6(6) . . ?
C23 N7 C18 126.5(5) . . ?
C26 N8 C23 107.0(5) . . ?
C19 C9 N6 108.8(6) . . ?
C9 C19 N5 109.6(6) . . ?
N6 C20 N5 106.2(5) . . ?
C19 N5 C20 108.2(5) . . ?
C19 N5 C17 126.5(6) . . ?
C20 N5 C17 125.3(5) . . ?
C20 N6 C9 107.2(6) . . ?
C21 C12 N3 107.0(4) . . ?
N4 C15 N3 106.8(5) . . ?
C12 C21 N4 107.0(5) . . ?
C15 N3 C12 109.1(4) . . ?
C15 N3 C24 125.1(4) . . ?
C12 N3 C24 125.7(4) . . ?
C15 N4 C21 110.0(5) . . ?
C25 C22 N1 108.0(6) . . ?
C22 C25 N2 110.4(5) . . ?
N1 C27 N2 108.4(6) . . ?
C27 N1 C22 106.4(8) . . ?
C27 N1 C16 130.0(7) . . ?
C22 N1 C16 123.6(7) . . ?
C25 N2 C27 106.8(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
C1 O13 1.226(8) . ?
C1 O14 1.245(7) . ?
C1 C5 1.562(7) . ?
C2 O7 1.239(10) . ?
C2 O5 1.283(8) . ?
C2 C7 1.582(8) . ?
C3 O3 1.243(9) . ?
C3 O2 1.275(7) . ?
C3 C4 1.531(8) . ?
C4 O1 1.251(8) . ?
C4 O4 1.266(8) . ?
C5 O15 1.239(6) . ?
C5 O16 1.276(7) . ?
C7 O8 1.202(7) . ?
C7 O6 1.266(7) . ?
C10 O9 1.236(6) . ?
C10 O12 1.285(6) . ?
C10 C14 1.555(6) . ?
C14 O10 1.253(6) . ?
C14 O11 1.259(7) . ?
O1 Lu1 2.334(4) . ?
O2 Lu1 2.300(4) . ?
O5 Lu1 2.361(4) . ?
O6 Lu1 2.274(4) . ?
O11 Lu1 2.316(5) . ?
O12 Lu1 2.312(5) . ?
O14 Lu1 2.281(5) . ?
O16 Lu1 2.310(4) . ?
C6 N10 1.363(9) . ?
C6 N9 1.375(7) . ?
C11 C13 1.320(8) . ?
C11 N9 1.333(5) . ?
C13 N10 1.341(9) . ?
C28 N9 1.463(7) . ?
C8 N7 1.334(7) . ?
C8 C26 1.336(7) . ?
C18 N7 1.444(8) . ?
C23 N8 1.361(8) . ?
C23 N7 1.384(7) . ?
C26 N8 1.365(7) . ?
C9 C19 1.283(11) . ?
C9 N6 1.370(9) . ?
C17 N5 1.482(8) . ?
C19 N5 1.336(8) . ?
C20 N6 1.357(9) . ?
C20 N5 1.363(8) . ?
C12 C21 1.355(8) . ?
C12 N3 1.371(7) . ?
C15 N4 1.341(9) . ?
C15 N3 1.340(6) . ?
C21 N4 1.353(9) . ?
C24 N3 1.471(6) . ?
C16 N1 1.453(14) . ?
C22 C25 1.298(9) . ?
C22 N1 1.385(10) . ?
C25 N2 1.332(10) . ?
C27 N1 1.338(10) . ?
C27 N2 1.365(10) . ?
