#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:24:55 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180392 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/61/7206188.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_7206188
loop_
_publ_author_name
'Wang, Yu-Ling'
'Jiang, Yun-Liang'
'Liu, Qing-Yan'
'Tan, Yan-Xi'
'Wei, Jia-Jia'
'Zhang, Jian'
_publ_section_title
;
 A series of three-dimensional lanthanide(iii) coordination polymers of
 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear
 lanthanide units
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              4981
_journal_paper_doi               10.1039/c1ce05069a
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C42 H54 La2 N6 O24'
_chemical_formula_weight         1304.73
_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                101.901(5)
_cell_angle_beta                 108.730(5)
_cell_angle_gamma                99.044(4)
_cell_formula_units_Z            1
_cell_length_a                   10.534(4)
_cell_length_b                   11.300(4)
_cell_length_c                   12.661(5)
_cell_measurement_reflns_used    4198
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.90
_cell_measurement_theta_min      2.47
_cell_volume                     1355.4(9)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.859
_diffrn_measured_fraction_theta_max 0.859
_diffrn_measurement_device_type  'APEXII CCD'
_diffrn_measurement_method       ω
_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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8442
_diffrn_reflns_theta_full        29.08
_diffrn_reflns_theta_max         29.08
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    1.639
_exptl_absorpt_correction_T_max  0.711
_exptl_absorpt_correction_T_min  0.512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker 2008)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.598
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             654
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.234
_refine_diff_density_min         -0.939
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6249
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0634P)²+0.4903P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0988
_refine_ls_wR_factor_ref         0.1039
_reflns_number_gt                5540
_reflns_number_total             6249
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05069a.txt
_cod_data_source_block           {[La2(DHBDC)3(DMF)4](DMF)2}n
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7206188
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
La1 La 0.103198(19) 0.544399(17) 0.682324(17) 0.02578(8) Uani 1 1 d . . .
O1 O -0.0160(3) 0.3228(2) 0.5875(3) 0.0426(7) Uani 1 1 d . . .
O2 O -0.0813(3) 0.2688(2) 0.3950(3) 0.0454(7) Uani 1 1 d . . .
O3 O -0.0624(5) 0.0517(3) 0.2885(3) 0.0788(14) Uani 1 1 d . . .
H3 H -0.0739 0.1225 0.2934 0.118 Uiso 1 1 calc R . .
O4 O 0.1507(3) 0.4935(3) 0.5011(3) 0.0372(6) Uani 1 1 d . . .
O5 O 0.1330(3) 0.4313(3) 0.3203(3) 0.0478(8) Uani 1 1 d . . .
O6 O 0.3441(3) 0.3988(4) 0.2676(3) 0.0681(12) Uani 1 1 d . . .
H6A H 0.2619 0.3942 0.2552 0.102 Uiso 1 1 calc R . .
O7 O 0.1856(3) 0.7485(3) 0.8511(3) 0.0470(7) Uani 1 1 d . . .
O8 O 0.3445(3) 0.6941(3) 0.7865(3) 0.0508(8) Uani 1 1 d . . .
O9 O 0.2377(18) 0.9804(13) 0.9845(15) 0.164(7) Uani 0.50 1 d P . .
H9A H 0.1859 0.9133 0.9427 0.246 Uiso 0.50 1 calc PR . .
O9A O 0.6024(5) 0.8234(4) 0.8909(5) 0.0313(12) Uani 0.50 1 d P . .
H9A1 H 0.5431 0.7762 0.8311 0.047 Uiso 0.50 1 calc PR . .
O10 O 0.2808(4) 0.4222(4) 0.7448(4) 0.0681(11) Uani 1 1 d . . .
O11 O 0.0630(4) 0.4634(3) 0.8422(3) 0.0564(9) Uani 1 1 d . . .
O12 O 0.3784(10) 0.7637(10) 0.3574(8) 0.189(4) Uani 1 1 d . . .
C1 C -0.0319(5) 0.0299(4) 0.3937(4) 0.0448(10) Uani 1 1 d . . .
C2 C -0.0229(4) 0.1173(3) 0.4942(4) 0.0361(9) Uani 1 1 d . . .
C3 C 0.0085(5) 0.0853(4) 0.5972(4) 0.0463(11) Uani 1 1 d . . .
H3A H 0.0142 0.1435 0.6633 0.056 Uiso 1 1 calc R . .
C4 C -0.0414(4) 0.2463(3) 0.4929(4) 0.0365(9) Uani 1 1 d . . .
C5 C 0.4180(4) 0.4489(4) 0.3823(4) 0.0396(9) Uani 1 1 d . . .
C6 C 0.3567(4) 0.4856(4) 0.4629(3) 0.0330(8) Uani 1 1 d . . .
C7 C 0.4407(4) 0.5368(4) 0.5789(4) 0.0419(10) Uani 1 1 d . . .
H7 H 0.4003 0.5623 0.6323 0.050 Uiso 1 1 calc R . .
C8 C 0.2062(4) 0.4689(4) 0.4270(4) 0.0343(8) Uani 1 1 d . . .
C9 C 0.3625(4) 0.9820(4) 0.9875(4) 0.0393(9) Uani 1 1 d . . .
C10 C 0.4070(4) 0.8894(4) 0.9268(3) 0.0356(8) Uani 1 1 d . . .
C11 C 0.5459(4) 0.9078(4) 0.9407(4) 0.0396(9) Uani 1 1 d . . .
C12 C 0.3045(4) 0.7711(4) 0.8503(3) 0.0368(9) Uani 1 1 d . . .
C13 C 0.3898(9) 0.4233(10) 0.7955(8) 0.110(3) Uani 1 1 d . . .
H13 H 0.4534 0.4981 0.8121 0.132 Uiso 1 1 calc R . .
C14 C 0.5944(11) 0.3690(12) 0.9082(11) 0.151(4) Uani 1 1 d . . .
H14A H 0.6320 0.4561 0.9210 0.226 Uiso 1 1 calc R . .
H14B H 0.6411 0.3207 0.8687 0.226 Uiso 1 1 calc R . .
H14C H 0.6067 0.3515 0.9814 0.226 Uiso 1 1 calc R . .
C15 C 0.3714(14) 0.2161(12) 0.8136(12) 0.200(8) Uani 1 1 d . . .
H15A H 0.2768 0.2067 0.7663 0.300 Uiso 1 1 calc R . .
H15B H 0.3760 0.1981 0.8854 0.300 Uiso 1 1 calc R . .
H15C H 0.4108 0.1596 0.7736 0.300 Uiso 1 1 calc R . .
C16 C -0.0251(6) 0.3691(6) 0.8290(5) 0.0636(14) Uani 1 1 d . . .
H16A H -0.1059 0.3473 0.7639 0.076 Uiso 1 1 calc R . .
C17 C -0.1219(10) 0.1887(8) 0.8760(9) 0.116(3) Uani 1 1 d . . .
H17A H -0.2010 0.1872 0.8110 0.174 Uiso 1 1 calc R . .
H17B H -0.1470 0.1919 0.9428 0.174 Uiso 1 1 calc R . .
H17C H -0.0896 0.1149 0.8585 0.174 Uiso 1 1 calc R . .
C18 C 0.1050(11) 0.3244(12) 1.0010(9) 0.154(5) Uani 1 1 d . . .
H18A H 0.1687 0.3983 1.0065 0.231 Uiso 1 1 calc R . .
H18B H 0.1483 0.2557 0.9981 0.231 Uiso 1 1 calc R . .
H18C H 0.0785 0.3374 1.0675 0.231 Uiso 1 1 calc R . .
C19 C 0.438(3) 0.8009(17) 0.4435(16) 0.37(2) Uani 1 1 d . . .
H19 H 0.4896 0.7390 0.4343 0.449 Uiso 1 1 d R . .
C20 C 0.457(3) 0.8829(17) 0.615(2) 0.309(17) Uani 1 1 d . . .
H20A H 0.3582 0.8599 0.5753 0.464 Uiso 1 1 calc R . .
H20B H 0.4869 0.9717 0.6474 0.464 Uiso 1 1 calc R . .
H20C H 0.4806 0.8432 0.6766 0.464 Uiso 1 1 calc R . .
C21 C 0.660(2) 0.8685(15) 0.587(3) 0.354(19) Uani 1 1 d . . .
H21A H 0.6958 0.8472 0.5264 0.531 Uiso 1 1 calc R . .
H21B H 0.6854 0.8191 0.6399 0.531 Uiso 1 1 calc R . .
H21C H 0.6980 0.9552 0.6275 0.531 Uiso 1 1 calc R . .
N1 N 0.4439(7) 0.3360(7) 0.8359(6) 0.092(2) Uani 1 1 d . . .
N2 N -0.0132(6) 0.2977(5) 0.8996(4) 0.0711(14) Uani 1 1 d . . .
N3 N 0.5192(11) 0.8458(8) 0.5392(9) 0.123(3) 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'
La La -0.2871 2.4523 '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'
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 La1 O4 74.92(10) . . ?
O1 La1 O11 75.81(11) . . ?
O4 La1 O11 145.52(11) . . ?
O1 La1 O2 129.67(10) . 2_566 ?
O4 La1 O2 75.14(10) . 2_566 ?
O11 La1 O2 138.85(11) . 2_566 ?
O1 La1 O10 73.84(13) . . ?
O4 La1 O10 81.82(12) . . ?
O11 La1 O10 72.84(13) . . ?
O2 La1 O10 138.81(12) 2_566 . ?
O1 La1 O5 84.24(11) . 2_566 ?
O4 La1 O5 121.46(9) . 2_566 ?
O11 La1 O5 72.77(12) . 2_566 ?
O2 La1 O5 78.16(11) 2_566 2_566 ?
O10 La1 O5 142.74(13) . 2_566 ?
O1 La1 O8 142.79(11) . . ?
O4 La1 O8 90.12(10) . . ?
O11 La1 O8 102.54(12) . . ?
O2 La1 O8 75.95(11) 2_566 . ?
O10 La1 O8 70.36(13) . . ?
O5 La1 O8 131.54(11) 2_566 . ?
O1 La1 O7 153.68(11) . . ?
O4 La1 O7 131.30(10) . . ?
O11 La1 O7 78.62(11) . . ?
O2 La1 O7 69.07(11) 2_566 . ?
O10 La1 O7 104.41(13) . . ?
O5 La1 O7 82.35(10) 2_566 . ?
O8 La1 O7 50.27(10) . . ?
O1 La1 O4 66.24(9) . 2_566 ?
O4 La1 O4 73.79(9) . 2_566 ?
O11 La1 O4 110.02(11) . 2_566 ?
O2 La1 O4 67.04(9) 2_566 2_566 ?
O10 La1 O4 137.24(12) . 2_566 ?
O5 La1 O4 47.84(9) 2_566 2_566 ?
O8 La1 O4 142.23(10) . 2_566 ?
O7 La1 O4 118.13(9) . 2_566 ?
O1 La1 C12 160.67(11) . . ?
O4 La1 C12 110.95(11) . . ?
O11 La1 C12 91.70(12) . . ?
O2 La1 C12 69.19(11) 2_566 . ?
O10 La1 C12 88.52(14) . . ?
O5 La1 C12 106.39(12) 2_566 . ?
O8 La1 C12 25.53(11) . . ?
O7 La1 C12 24.82(11) . . ?
O4 La1 C12 132.78(10) 2_566 . ?
O1 La1 C8 72.72(11) . 2_566 ?
O4 La1 C8 98.07(10) . 2_566 ?
O11 La1 C8 90.24(12) . 2_566 ?
O2 La1 C8 72.57(11) 2_566 2_566 ?
O10 La1 C8 145.32(12) . 2_566 ?
O5 La1 C8 23.65(10) 2_566 2_566 ?
O8 La1 C8 144.08(11) . 2_566 ?
O7 La1 C8 101.43(10) . 2_566 ?
O4 La1 C8 24.29(10) 2_566 2_566 ?
C12 La1 C8 122.80(11) . 2_566 ?
C4 O1 La1 136.9(3) . . ?
C4 O2 La1 137.8(3) . 2_566 ?
C1 O3 H3 109.5 . . ?
C8 O4 La1 164.9(3) . . ?
C8 O4 La1 88.8(2) . 2_566 ?
La1 O4 La1 106.21(9) . 2_566 ?
C8 O5 La1 102.6(2) . 2_566 ?
C5 O6 H6A 109.5 . . ?
C12 O7 La1 93.5(2) . . ?
C12 O8 La1 94.0(2) . . ?
C9 O9 H9A 109.5 . . ?
C11 O9A H9A1 109.5 . . ?
C13 O10 La1 148.0(6) . . ?
C16 O11 La1 125.7(4) . . ?
O3 C1 C3 118.0(4) . 2_556 ?
O3 C1 C2 123.8(4) . . ?
C3 C1 C2 118.2(4) 2_556 . ?
C3 C2 C1 119.1(4) . . ?
C3 C2 C4 119.2(4) . . ?
C1 C2 C4 121.6(4) . . ?
C2 C3 C1 122.7(4) . 2_556 ?
C2 C3 H3A 118.7 . . ?
C1 C3 H3A 118.7 2_556 . ?
O1 C4 O2 125.1(4) . . ?
O1 C4 C2 117.8(4) . . ?
O2 C4 C2 117.1(4) . . ?
O6 C5 C7 118.4(4) . 2_666 ?
O6 C5 C6 122.7(4) . . ?
C7 C5 C6 118.9(4) 2_666 . ?
C7 C6 C5 118.7(4) . . ?
C7 C6 C8 120.0(4) . . ?
C5 C6 C8 121.3(4) . . ?
C5 C7 C6 122.4(4) 2_666 . ?
C5 C7 H7 118.8 2_666 . ?
C6 C7 H7 118.8 . . ?
O5 C8 O4 120.3(3) . . ?
O5 C8 C6 118.8(4) . . ?
O4 C8 C6 120.9(4) . . ?
O5 C8 La1 53.76(19) . 2_566 ?
O4 C8 La1 66.9(2) . 2_566 ?
C6 C8 La1 169.6(3) . 2_566 ?
O9 C9 C11 111.5(7) . 2_677 ?
O9 C9 C10 127.7(7) . . ?
C11 C9 C10 120.8(4) 2_677 . ?
C11 C10 C9 119.6(4) . . ?
C11 C10 C12 121.2(4) . . ?
C9 C10 C12 119.1(4) . . ?
O9A C11 C9 115.3(4) . 2_677 ?
O9A C11 C10 125.2(4) . . ?
C9 C11 C10 119.6(4) 2_677 . ?
O7 C12 O8 121.8(4) . . ?
O7 C12 C10 120.5(4) . . ?
O8 C12 C10 117.7(4) . . ?
O7 C12 La1 61.7(2) . . ?
O8 C12 La1 60.4(2) . . ?
C10 C12 La1 175.3(3) . . ?
O10 C13 N1 130.9(10) . . ?
O10 C13 H13 114.6 . . ?
N1 C13 H13 114.6 . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 H15A 109.5 . . ?
N1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O11 C16 N2 125.2(6) . . ?
O11 C16 H16A 117.4 . . ?
N2 C16 H16A 117.4 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O12 C19 N3 173(4) . . ?
N3 C19 H19 88.7 . . ?
N3 C20 H20A 109.5 . . ?
N3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 H21A 109.5 . . ?
N3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C13 N1 C15 124.3(9) . . ?
C13 N1 C14 118.2(9) . . ?
C15 N1 C14 117.5(8) . . ?
C16 N2 C18 121.3(6) . . ?
C16 N2 C17 121.0(6) . . ?
C18 N2 C17 117.7(7) . . ?
C19 N3 C20 112(2) . . ?
C19 N3 C21 133(2) . . ?
C20 N3 C21 115.2(17) . . ?
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
La1 O1 2.468(3) . ?
La1 O4 2.475(3) . ?
La1 O11 2.512(3) . ?
La1 O2 2.515(3) 2_566 ?
La1 O10 2.519(3) . ?
La1 O5 2.537(3) 2_566 ?
La1 O8 2.576(3) . ?
La1 O7 2.605(3) . ?
La1 O4 2.824(3) 2_566 ?
O1 C4 1.244(5) . ?
O2 C4 1.268(5) . ?
O2 La1 2.515(3) 2_566 ?
O3 C1 1.350(6) . ?
O3 H3 0.8200 . ?
O4 C8 1.263(5) . ?
O4 La1 2.824(3) 2_566 ?
O5 C8 1.262(5) . ?
O5 La1 2.537(3) 2_566 ?
O6 C5 1.354(5) . ?
O6 H6A 0.8200 . ?
O7 C12 1.242(5) . ?
O8 C12 1.276(5) . ?
O9 C9 1.300(17) . ?
O9 H9A 0.8200 . ?
O9A C11 1.354(6) . ?
O9A H9A1 0.8200 . ?
O10 C13 1.118(8) . ?
O11 C16 1.241(7) . ?
O12 C19 1.025(16) . ?
C1 C3 1.384(6) 2_556 ?
C1 C2 1.407(6) . ?
C2 C3 1.376(6) . ?
C2 C4 1.504(5) . ?
C3 C1 1.384(6) 2_556 ?
C3 H3A 0.9300 . ?
C5 C7 1.380(6) 2_666 ?
C5 C6 1.401(6) . ?
C6 C7 1.389(6) . ?
C6 C8 1.471(5) . ?
C7 C5 1.380(6) 2_666 ?
C7 H7 0.9300 . ?
C8 La1 3.070(4) 2_566 ?
C9 C11 1.379(6) 2_677 ?
C9 C10 1.399(6) . ?
C10 C11 1.393(6) . ?
C10 C12 1.494(5) . ?
C11 C9 1.379(6) 2_677 ?
C13 N1 1.325(8) . ?
C13 H13 0.9300 . ?
C14 N1 1.494(11) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 N1 1.370(12) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 N2 1.312(7) . ?
C16 H16A 0.9300 . ?
C17 N2 1.450(9) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 N2 1.409(10) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 N3 1.183(17) . ?
C19 H19 0.9601 . ?
C20 N3 1.368(18) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 N3 1.37(2) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
