#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:18:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180033 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/27/7032725.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_7032725
loop_
_publ_author_name
'Fomina, Irina'
'Dobrokhotova, Zhanna'
'Ilyukhin, Andrey Borisovich'
'Zhilov, Valery'
'Bogomyakov, Artem Stepanovich'
'Antoshkov, Andrey'
'Zavorotnii, Yurii S.'
'Gerasimova, Vasilisa'
'Novotortsev, Vladimir M.'
'Eremenko, Igor Leonidovich'
_publ_section_title
;
 Heterodinuclear (Sm, Tb) lanthanide pivalates with heterocyclic N-donors:
 synthesis, structure, thermal behavior, magnetic and photoluminescence
 properties
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C4DT02590C
_journal_year                    2014
_chemical_formula_moiety         'C54 H70 N4 O12 Sm Tb'
_chemical_formula_sum            'C54 H70 N4 O12 Sm Tb'
_chemical_formula_weight         1276.41
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2014-01-21T00:34:30-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                113.092(2)
_cell_angle_beta                 99.678(3)
_cell_angle_gamma                96.877(3)
_cell_formula_units_Z            1
_cell_length_a                   10.288(2)
_cell_length_b                   11.9691(12)
_cell_length_c                   12.7440(13)
_cell_measurement_reflns_used    2430
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      43.89
_cell_measurement_theta_min      4.77
_cell_volume                     1392.8(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10023
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         26.258
_diffrn_reflns_theta_min         2.827
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.364
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.571
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_description       block
_exptl_crystal_F_000             645
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.028
_refine_diff_density_min         -1.522
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5390
_refine_ls_number_restraints     122
_refine_ls_restrained_S_all      1
_refine_ls_R_factor_all          0.08
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0500P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1129
_reflns_number_gt                4073
_reflns_number_total             5390
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4dt02590c2.cif
_cod_data_source_block           1
_cod_database_code               7032725
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm1 Sm 0.12024(3) 0.23329(3) 0.15568(3) 0.02803(13) Uani 0.5 d . .
Tb1 Tb 0.12024(3) 0.23329(3) 0.15568(3) 0.02803(13) Uani 0.5 d . .
O1 O 0.0949(6) 0.1061(5) -0.0350(4) 0.0528(14) Uani 1 d . .
O2 O -0.0164(5) -0.0657(5) -0.1841(5) 0.0514(14) Uani 1 d . .
O3 O 0.1045(5) 0.3796(5) 0.0704(4) 0.0468(13) Uani 1 d . .
O4 O 0.2988(5) 0.3945(5) 0.1798(5) 0.0484(14) Uani 1 d . .
O5 O 0.3071(5) 0.1391(5) 0.1949(4) 0.0419(12) Uani 1 d . .
O6 O 0.2459(5) 0.2675(5) 0.3470(4) 0.0458(13) Uani 1 d . .
N1 N 0.0464(5) 0.4184(5) 0.2986(5) 0.0354(14) Uani 1 d . .
N2 N -0.1342(5) 0.2284(5) 0.1183(5) 0.0312(13) Uani 1 d . .
C1 C 0.0683(7) 0.0339(7) -0.1409(6) 0.0355(17) Uani 1 d . .
C2 C 0.1356(8) 0.0726(7) -0.2225(6) 0.0441(19) Uani 1 d . .
C3 C 0.1292(12) -0.0413(9) -0.3362(8) 0.100(4) Uani 1 d . .
H3A H 0.0349 -0.0794 -0.3773 0.15 Uiso 1 calc . .
H3B H 0.1731 -0.1015 -0.3172 0.15 Uiso 1 calc . .
H3C H 0.1756 -0.0155 -0.3867 0.15 Uiso 1 calc . .
C4 C 0.2829(10) 0.1328(10) -0.1593(10) 0.087(3) Uani 1 d . .
H4A H 0.2871 0.2065 -0.0876 0.131 Uiso 1 calc . .
H4B H 0.3287 0.1571 -0.2109 0.131 Uiso 1 calc . .
H4C H 0.3271 0.0736 -0.139 0.131 Uiso 1 calc . .
C5 C 0.0638(12) 0.1654(11) -0.2490(10) 0.097(4) Uani 1 d . .
H5A H -0.0304 0.1258 -0.2896 0.146 Uiso 1 calc . .
H5B H 0.108 0.1937 -0.2991 0.146 Uiso 1 calc . .
H5C H 0.0674 0.2365 -0.1754 0.146 Uiso 1 calc . .
C6 C 0.2248(7) 0.4361(6) 0.1215(5) 0.0400(18) Uani 1 d . .
C7 C 0.2764(7) 0.5542(7) 0.1109(7) 0.053(2) Uani 1 d . .
C8A C 0.175(2) 0.638(2) 0.131(2) 0.089(9) Uani 0.5 d A 1
H8AA H 0.0884 0.5931 0.0747 0.133 Uiso 0.5 calc A 1
H8AB H 0.2076 0.7121 0.1205 0.133 Uiso 0.5 calc A 1
H8AC H 0.1623 0.6623 0.2111 0.133 Uiso 0.5 calc A 1
C9A C 0.298(3) 0.518(3) -0.0131(17) 0.127(13) Uani 0.5 d A 1
H9AA H 0.213 0.4718 -0.0707 0.191 Uiso 0.5 calc A 1
H9AB H 0.3657 0.4661 -0.0253 0.191 Uiso 0.5 calc A 1
H9AC H 0.3294 0.5932 -0.0229 0.191 Uiso 0.5 calc A 1
C10A C 0.409(2) 0.628(2) 0.202(2) 0.087(10) Uani 0.5 d A 1
H10A H 0.394 0.6511 0.2815 0.131 Uiso 0.5 calc A 1
H10B H 0.4401 0.7033 0.1927 0.131 Uiso 0.5 calc A 1
H10C H 0.4775 0.5768 0.1913 0.131 Uiso 0.5 calc A 1
C8B C 0.4283(14) 0.592(2) 0.153(2) 0.065(7) Uani 0.5 d A 2
H8BA H 0.4694 0.5461 0.0889 0.098 Uiso 0.5 calc A 2
H8BB H 0.4577 0.5728 0.2198 0.098 Uiso 0.5 calc A 2
H8BC H 0.4562 0.6811 0.1761 0.098 Uiso 0.5 calc A 2
C9B C 0.230(2) 0.530(2) -0.0174(14) 0.072(7) Uani 0.5 d A 2
H9BA H 0.1375 0.4811 -0.0489 0.108 Uiso 0.5 calc A 2
H9BB H 0.2896 0.4847 -0.0625 0.108 Uiso 0.5 calc A 2
H9BC H 0.232 0.6096 -0.0234 0.108 Uiso 0.5 calc A 2
C10B C 0.207(3) 0.655(2) 0.184(2) 0.092(10) Uani 0.5 d A 2
H10D H 0.1105 0.6338 0.1464 0.138 Uiso 0.5 calc A 2
H10E H 0.247 0.7352 0.1882 0.138 Uiso 0.5 calc A 2
H10F H 0.2187 0.6584 0.2632 0.138 Uiso 0.5 calc A 2
C11 C 0.3131(5) 0.1871(6) 0.3042(6) 0.0391(18) Uani 1 d . .
C12 C 0.4024(8) 0.1462(8) 0.3848(7) 0.057(2) Uani 1 d . .
C13A C 0.339(2) 0.150(2) 0.4854(17) 0.062(6) Uani 0.5 d B 1
H13A H 0.2616 0.0801 0.4559 0.093 Uiso 0.5 calc B 1
H13B H 0.3086 0.228 0.5188 0.093 Uiso 0.5 calc B 1
H13C H 0.4055 0.1428 0.5462 0.093 Uiso 0.5 calc B 1
C14A C 0.397(3) 0.0050(15) 0.313(2) 0.100(9) Uani 0.5 d B 1
H14A H 0.3039 -0.0375 0.2717 0.15 Uiso 0.5 calc B 1
H14B H 0.4325 -0.031 0.3657 0.15 Uiso 0.5 calc B 1
H14C H 0.4523 -0.0048 0.255 0.15 Uiso 0.5 calc B 1
C15A C 0.5415(17) 0.225(3) 0.434(3) 0.105(10) Uani 0.5 d B 1
H15A H 0.6033 0.1808 0.3901 0.158 Uiso 0.5 calc B 1
H15B H 0.5709 0.2414 0.5167 0.158 Uiso 0.5 calc B 1
H15C H 0.5413 0.3033 0.4267 0.158 Uiso 0.5 calc B 1
C13B C 0.489(2) 0.060(2) 0.3217(18) 0.091(8) Uani 0.5 d B 2
H13D H 0.4313 -0.0194 0.2657 0.137 Uiso 0.5 calc B 2
H13E H 0.5542 0.0474 0.3791 0.137 Uiso 0.5 calc B 2
H13F H 0.5368 0.098 0.2795 0.137 Uiso 0.5 calc B 2
C14B C 0.5112(19) 0.2704(19) 0.4717(19) 0.084(8) Uani 0.5 d B 2
H14D H 0.4653 0.3402 0.4981 0.126 Uiso 0.5 calc B 2
H14E H 0.5775 0.2875 0.4302 0.126 Uiso 0.5 calc B 2
H14F H 0.557 0.2593 0.5398 0.126 Uiso 0.5 calc B 2
C15B C 0.319(3) 0.100(3) 0.451(3) 0.117(14) Uani 0.5 d B 2
H15D H 0.2524 0.0255 0.3954 0.175 Uiso 0.5 calc B 2
H15E H 0.2729 0.1644 0.493 0.175 Uiso 0.5 calc B 2
H15F H 0.3776 0.0796 0.5069 0.175 Uiso 0.5 calc B 2
C16 C -0.2202(7) 0.1337(7) 0.0297(6) 0.0383(17) Uani 1 d . .
H16A H -0.1857 0.0724 -0.0257 0.046 Uiso 1 calc . .
C17 C -0.3587(7) 0.1212(8) 0.0150(7) 0.047(2) Uani 1 d . .
H17A H -0.4173 0.0529 -0.0502 0.056 Uiso 1 calc . .
C18 C -0.4104(8) 0.2066(8) 0.0940(8) 0.052(2) Uani 1 d . .
H18A H -0.5049 0.1969 0.0869 0.062 Uiso 1 calc . .
C19 C -0.3213(7) 0.3094(8) 0.1865(7) 0.0422(19) Uani 1 d . .
C20 C -0.3642(8) 0.4106(9) 0.2695(8) 0.059(2) Uani 1 d . .
H20A H -0.4578 0.4065 0.2656 0.071 Uiso 1 calc . .
C21 C -0.2763(9) 0.5107(8) 0.3522(8) 0.058(2) Uani 1 d . .
H21A H -0.3086 0.577 0.404 0.069 Uiso 1 calc . .
C22 C -0.1337(8) 0.5190(7) 0.3637(7) 0.0431(19) Uani 1 d . .
C23 C -0.0369(9) 0.6201(8) 0.4486(7) 0.056(2) Uani 1 d . .
H23A H -0.0646 0.69 0.5003 0.067 Uiso 1 calc . .
C24 C 0.0959(9) 0.6196(8) 0.4581(7) 0.055(2) Uani 1 d . .
H24A H 0.1621 0.6887 0.5149 0.066 Uiso 1 calc . .
C25 C 0.1328(7) 0.5143(7) 0.3818(6) 0.0439(19) Uani 1 d . .
H25A H 0.2259 0.5122 0.3908 0.053 Uiso 1 calc . .
C26 C -0.0865(7) 0.4193(7) 0.2868(6) 0.0348(17) Uani 1 d . .
C27 C -0.1816(7) 0.3151(7) 0.1950(6) 0.0340(17) Uani 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 0 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 '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
O1 Sm1 O2 89.15(19) . 2
O1 Sm1 O4 100.51(19) . .
O2 Sm1 O4 156.53(18) 2 .
O1 Sm1 O3 79.91(18) . .
O2 Sm1 O3 149.27(18) 2 .
O4 Sm1 O3 54.17(16) . .
O1 Sm1 O6 139.87(19) . .
O2 Sm1 O6 77.05(18) 2 .
O4 Sm1 O6 81.91(18) . .
O3 Sm1 O6 128.46(17) . .
O1 Sm1 O5 86.35(18) . .
O2 Sm1 O5 77.42(17) 2 .
O4 Sm1 O5 81.86(16) . .
O3 Sm1 O5 129.69(17) . .
O6 Sm1 O5 54.07(16) . .
O1 Sm1 N1 144.86(19) . .
O2 Sm1 N1 103.37(19) 2 .
O4 Sm1 N1 80.93(18) . .
O3 Sm1 N1 72.63(18) . .
O6 Sm1 N1 75.26(17) . .
O5 Sm1 N1 128.16(17) . .
O1 Sm1 N2 89.8(2) . .
O2 Sm1 N2 72.48(18) 2 .
O4 Sm1 N2 128.31(17) . .
O3 Sm1 N2 78.81(17) . .
O6 Sm1 N2 120.25(17) . .
O5 Sm1 N2 149.71(17) . .
N1 Sm1 N2 63.97(17) . .
O1 Sm1 C6 91.58(17) . .
O2 Sm1 C6 175.84(19) 2 .
O4 Sm1 C6 26.97(18) . .
O3 Sm1 C6 27.27(18) . .
O6 Sm1 C6 104.85(19) . .
O5 Sm1 C6 106.70(19) . .
N1 Sm1 C6 73.80(16) . .
N2 Sm1 C6 103.43(19) . .
O1 Sm1 C11 113.0(2) . .
O2 Sm1 C11 73.22(16) 2 .
O4 Sm1 C11 83.30(15) . .
O3 Sm1 C11 137.45(15) . .
O6 Sm1 C11 26.97(18) . .
O5 Sm1 C11 27.29(18) . .
N1 Sm1 C11 102.1(2) . .
N2 Sm1 C11 138.11(17) . .
C6 Sm1 C11 110.18(18) . .
C1 O1 Sm1 174.1(5) . .
C1 O2 Tb1 147.0(5) . 2
C1 O2 Sm1 147.0(5) . 2
Tb1 O2 Sm1 0.000(15) 2 2
C6 O3 Sm1 92.2(4) . .
C6 O4 Sm1 93.3(4) . .
C11 O5 Sm1 91.7(4) . .
C11 O6 Sm1 92.4(4) . .
C25 N1 C26 118.5(6) . .
C25 N1 Sm1 122.4(5) . .
C26 N1 Sm1 119.1(4) . .
C27 N2 C16 119.2(6) . .
C27 N2 Sm1 119.6(4) . .
C16 N2 Sm1 120.9(5) . .
O1 C1 O2 122.8(7) . .
O1 C1 C2 118.5(7) . .
O2 C1 C2 118.6(7) . .
C5 C2 C1 108.3(7) . .
C5 C2 C4 110.1(8) . .
C1 C2 C4 108.1(7) . .
C5 C2 C3 110.6(8) . .
C1 C2 C3 110.3(7) . .
C4 C2 C3 109.4(8) . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C5 H5A 109.5 . .
C2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O4 C6 O3 120.1(6) . .
O4 C6 C7 121.3(7) . .
O3 C6 C7 118.7(6) . .
O4 C6 Sm1 59.7(4) . .
O3 C6 Sm1 60.6(4) . .
C7 C6 Sm1 175.0(3) . .
C8B C7 C6 111.0(11) . .
C6 C7 C8A 110.4(13) . .
C8B C7 C9B 111.6(13) . .
C6 C7 C9B 107.4(10) . .
C6 C7 C9A 107.9(14) . .
C8A C7 C9A 109.5(16) . .
C6 C7 C10A 111.6(12) . .
C8A C7 C10A 107.3(15) . .
C9A C7 C10A 110.1(15) . .
C8B C7 C10B 111.7(15) . .
C6 C7 C10B 107.1(12) . .
C9B C7 C10B 107.9(14) . .
C7 C8A H8AA 109.5 . .
C7 C8A H8AB 109.5 . .
H8AA C8A H8AB 109.5 . .
C7 C8A H8AC 109.5 . .
H8AA C8A H8AC 109.5 . .
H8AB C8A H8AC 109.5 . .
C7 C9A H9AA 109.5 . .
C7 C9A H9AB 109.5 . .
H9AA C9A H9AB 109.5 . .
C7 C9A H9AC 109.5 . .
H9AA C9A H9AC 109.5 . .
H9AB C9A H9AC 109.5 . .
C7 C10A H10A 109.5 . .
C7 C10A H10B 109.5 . .
H10A C10A H10B 109.5 . .
C7 C10A H10C 109.5 . .
H10A C10A H10C 109.5 . .
H10B C10A H10C 109.5 . .
C7 C8B H8BA 109.5 . .
C7 C8B H8BB 109.5 . .
H8BA C8B H8BB 109.5 . .
C7 C8B H8BC 109.5 . .
H8BA C8B H8BC 109.5 . .
H8BB C8B H8BC 109.5 . .
C7 C9B H9BA 109.5 . .
C7 C9B H9BB 109.5 . .
H9BA C9B H9BB 109.5 . .
C7 C9B H9BC 109.5 . .
H9BA C9B H9BC 109.5 . .
H9BB C9B H9BC 109.5 . .
C7 C10B H10D 109.5 . .
C7 C10B H10E 109.5 . .
H10D C10B H10E 109.5 . .
C7 C10B H10F 109.5 . .
H10D C10B H10F 109.5 . .
H10E C10B H10F 109.5 . .
O6 C11 O5 120.9(6) . .
O6 C11 C12 119.4(6) . .
O5 C11 C12 119.7(7) . .
O6 C11 Sm1 60.6(3) . .
O5 C11 Sm1 61.0(3) . .
C12 C11 Sm1 171.3(3) . .
C15B C12 C13B 116.0(16) . .
C15A C12 C13A 109.3(15) . .
C15A C12 C11 112.6(13) . .
C15B C12 C11 109.4(14) . .
C13B C12 C11 112.5(10) . .
C13A C12 C11 110.1(10) . .
C15A C12 C14A 114.3(15) . .
C13A C12 C14A 103.9(14) . .
C11 C12 C14A 106.3(10) . .
C15B C12 C14B 111.3(15) . .
C13B C12 C14B 102.8(13) . .
C11 C12 C14B 103.9(11) . .
C12 C13A H13A 109.5 . .
C12 C13A H13B 109.5 . .
H13A C13A H13B 109.5 . .
C12 C13A H13C 109.5 . .
H13A C13A H13C 109.5 . .
H13B C13A H13C 109.5 . .
C12 C14A H14A 109.5 . .
C12 C14A H14B 109.5 . .
H14A C14A H14B 109.5 . .
C12 C14A H14C 109.5 . .
H14A C14A H14C 109.5 . .
H14B C14A H14C 109.5 . .
C12 C15A H15A 109.5 . .
C12 C15A H15B 109.5 . .
H15A C15A H15B 109.5 . .
C12 C15A H15C 109.5 . .
H15A C15A H15C 109.5 . .
H15B C15A H15C 109.5 . .
C12 C13B H13D 109.5 . .
C12 C13B H13E 109.5 . .
H13D C13B H13E 109.5 . .
C12 C13B H13F 109.5 . .
H13D C13B H13F 109.5 . .
H13E C13B H13F 109.5 . .
C12 C14B H14D 109.5 . .
C12 C14B H14E 109.5 . .
H14D C14B H14E 109.5 . .
C12 C14B H14F 109.5 . .
H14D C14B H14F 109.5 . .
H14E C14B H14F 109.5 . .
C12 C15B H15D 109.5 . .
C12 C15B H15E 109.5 . .
H15D C15B H15E 109.5 . .
C12 C15B H15F 109.5 . .
H15D C15B H15F 109.5 . .
H15E C15B H15F 109.5 . .
N2 C16 C17 122.3(7) . .
N2 C16 H16A 118.9 . .
C17 C16 H16A 118.9 . .
C18 C17 C16 119.9(7) . .
C18 C17 H17A 120 . .
C16 C17 H17A 120 . .
C17 C18 C19 118.6(7) . .
C17 C18 H18A 120.7 . .
C19 C18 H18A 120.7 . .
C18 C19 C27 117.8(7) . .
C18 C19 C20 123.7(7) . .
C27 C19 C20 118.5(7) . .
C21 C20 C19 122.0(7) . .
C21 C20 H20A 119 . .
C19 C20 H20A 119 . .
C20 C21 C22 120.9(8) . .
C20 C21 H21A 119.6 . .
C22 C21 H21A 119.6 . .
C23 C22 C26 117.2(7) . .
C23 C22 C21 123.7(7) . .
C26 C22 C21 119.1(7) . .
C24 C23 C22 120.7(8) . .
C24 C23 H23A 119.7 . .
C22 C23 H23A 119.7 . .
C23 C24 C25 118.0(8) . .
C23 C24 H24A 121 . .
C25 C24 H24A 121 . .
N1 C25 C24 123.8(7) . .
N1 C25 H25A 118.1 . .
C24 C25 H25A 118.1 . .
N1 C26 C22 121.7(7) . .
N1 C26 C27 118.8(6) . .
C22 C26 C27 119.5(6) . .
N2 C27 C19 122.1(6) . .
N2 C27 C26 118.0(6) . .
C19 C27 C26 119.9(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O1 2.254(5) .
Sm1 O2 2.342(5) 2
Sm1 O4 2.385(5) .
Sm1 O3 2.403(5) .
Sm1 O6 2.411(5) .
Sm1 O5 2.420(5) .
Sm1 N1 2.550(6) .
Sm1 N2 2.570(5) .
Sm1 C6 2.757(7) .
Sm1 C11 2.765(7) .
O1 C1 1.245(8) .
O2 C1 1.248(8) .
O2 Tb1 2.342(5) 2
O2 Sm1 2.342(5) 2
O3 C6 1.264(8) .
O4 C6 1.252(8) .
O5 C11 1.268(8) .
O6 C11 1.255(8) .
N1 C25 1.310(9) .
N1 C26 1.352(8) .
N2 C27 1.325(8) .
N2 C16 1.328(8) .
C1 C2 1.523(10) .
C2 C5 1.517(12) .
C2 C4 1.528(12) .
C2 C3 1.536(11) .
C3 H3A 0.98 .
C3 H3B 0.98 .
C3 H3C 0.98 .
C4 H4A 0.98 .
C4 H4B 0.98 .
C4 H4C 0.98 .
C5 H5A 0.98 .
C5 H5B 0.98 .
C5 H5C 0.98 .
C6 C7 1.514(9) .
C7 C8B 1.514(14) .
C7 C8A 1.518(16) .
C7 C9B 1.524(15) .
C7 C9A 1.530(16) .
C7 C10A 1.540(16) .
C7 C10B 1.541(16) .
C8A H8AA 0.98 .
C8A H8AB 0.98 .
C8A H8AC 0.98 .
C9A H9AA 0.98 .
C9A H9AB 0.98 .
C9A H9AC 0.98 .
C10A H10A 0.98 .
C10A H10B 0.98 .
C10A H10C 0.98 .
C8B H8BA 0.98 .
C8B H8BB 0.98 .
C8B H8BC 0.98 .
C9B H9BA 0.98 .
C9B H9BB 0.98 .
C9B H9BC 0.98 .
C10B H10D 0.98 .
C10B H10E 0.98 .
C10B H10F 0.98 .
C11 C12 1.525(9) .
C12 C15A 1.496(15) .
C12 C15B 1.496(16) .
C12 C13B 1.517(14) .
C12 C13A 1.523(15) .
C12 C14A 1.564(15) .
C12 C14B 1.607(16) .
C13A H13A 0.98 .
C13A H13B 0.98 .
C13A H13C 0.98 .
C14A H14A 0.98 .
C14A H14B 0.98 .
C14A H14C 0.98 .
C15A H15A 0.98 .
C15A H15B 0.98 .
C15A H15C 0.98 .
C13B H13D 0.98 .
C13B H13E 0.98 .
C13B H13F 0.98 .
C14B H14D 0.98 .
C14B H14E 0.98 .
C14B H14F 0.98 .
C15B H15D 0.98 .
C15B H15E 0.98 .
C15B H15F 0.98 .
C16 C17 1.388(10) .
C16 H16A 0.95 .
C17 C18 1.358(11) .
C17 H17A 0.95 .
C18 C19 1.404(11) .
C18 H18A 0.95 .
C19 C27 1.414(9) .
C19 C20 1.436(11) .
C20 C21 1.339(11) .
C20 H20A 0.95 .
C21 C22 1.437(11) .
C21 H21A 0.95 .
C22 C23 1.396(11) .
C22 C26 1.415(10) .
C23 C24 1.352(11) .
C23 H23A 0.95 .
C24 C25 1.399(10) .
C24 H24A 0.95 .
C25 H25A 0.95 .
C26 C27 1.435(9) .
