#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:45:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179934 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/29/7022985.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_7022985
loop_
_publ_author_name
'Chen, Yanmei'
'Cao, Yanyuan'
'Chen, Wenqian'
'Gao, Qian'
'Li, Lei'
'Gao, Dandan'
'Liu, Wei'
'Li, Yahong'
'Li, Wu'
_publ_section_title
;
 Seven novel Sr(II)-Sm(III) and Sr(II)-Dy(III) coordination polymers:
 construction of five classes of structural topologies using different
 amounts of imidazole.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10011
_journal_page_last               10018
_journal_paper_doi               10.1039/c3dt50453k
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C35 H33 N5 O29 Sm2 Sr2, 2(H2 O)'
_chemical_formula_sum            'C35 H37 N5 O31 Sm2 Sr2'
_chemical_formula_weight         1499.66
_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                111.5400(13)
_cell_angle_beta                 101.4200(13)
_cell_angle_gamma                96.8600(14)
_cell_formula_units_Z            2
_cell_length_a                   11.0630(3)
_cell_length_b                   15.4190(4)
_cell_length_c                   15.5950(4)
_cell_measurement_reflns_used    2453
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.8
_cell_volume                     2370.96(11)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX-II (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0451
_diffrn_reflns_av_sigmaI/netI    0.0382
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            35772
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    4.785
_exptl_absorpt_correction_T_max  0.3808
_exptl_absorpt_correction_T_min  0.2636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.101
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.775
_refine_diff_density_min         -1.482
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         8338
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0324P)²+4.5492P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0731
_reflns_number_gt                7696
_reflns_number_total             8338
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50453k.cif
_cod_data_source_block           CCDC899486
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               7022985
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
Sm1 Sm 0.445458(17) 0.596121(13) 0.306969(13) 0.01392(6) Uani 1 1 d .
O1 O 0.2977(3) 0.6017(2) 0.16882(19) 0.0256(6) Uani 1 1 d .
C1 C 0.3588(4) 0.7692(3) 0.2344(3) 0.0202(8) Uani 1 1 d .
N1 N 0.4401(3) 0.7597(2) 0.3051(2) 0.0172(7) Uani 1 1 d .
Sm2 Sm 0.733994(17) 0.235577(13) 0.315323(14) 0.01580(7) Uani 1 1 d .
O2 O 0.1853(3) 0.6805(2) 0.1023(2) 0.0432(9) Uani 1 1 d .
C2 C 0.3512(4) 0.8575(3) 0.2330(3) 0.0273(10) Uani 1 1 d .
H2 H 0.2947 0.8626 0.1832 0.033 Uiso 1 1 calc R
N2 N 0.4679(3) 0.4708(2) 0.1533(2) 0.0191(7) Uani 1 1 d .
Sr3 Sr 0.00485(3) 0.70801(3) 0.00642(3) 0.02108(10) Uani 1 1 d .
O3 O 0.5815(3) 0.73226(19) 0.44638(19) 0.0224(6) Uani 1 1 d .
N3 N 0.2281(3) 0.8492(2) 0.5725(2) 0.0180(7) Uani 1 1 d .
C3 C 0.4289(4) 0.9379(3) 0.3067(3) 0.0297(10) Uani 1 1 d .
H3 H 0.4273 0.9978 0.3061 0.036 Uiso 1 1 calc R
Sr4 Sr 0.75299(4) 0.80348(3) 0.63217(3) 0.02354(10) Uani 1 1 d .
N4 N 0.8566(3) 0.4039(2) 0.3636(2) 0.0179(7) Uani 1 1 d .
O4 O 0.6416(3) 0.8882(2) 0.5343(2) 0.0298(7) Uani 1 1 d .
C4 C 0.5089(4) 0.9285(3) 0.3813(3) 0.0251(9) Uani 1 1 d .
H4 H 0.5607 0.9819 0.4323 0.030 Uiso 1 1 calc R
C5 C 0.5105(4) 0.8378(3) 0.3784(3) 0.0195(8) Uani 1 1 d .
O5 O 0.2893(3) 0.4453(2) 0.2368(2) 0.0258(6) Uani 1 1 d .
N5 N 0.5886(3) 0.1641(2) 0.1487(2) 0.0198(7) Uani 1 1 d .
O6 O 0.1932(3) 0.3068(2) 0.1158(2) 0.0291(7) Uani 1 1 d .
C6 C 0.2738(4) 0.6770(3) 0.1622(3) 0.0214(9) Uani 1 1 d .
O7 O 0.6168(3) 0.6396(2) 0.2400(2) 0.0269(7) Uani 1 1 d .
C7 C 0.5851(4) 0.8192(3) 0.4597(3) 0.0197(8) Uani 1 1 d .
C8 C 0.3844(4) 0.3879(3) 0.1103(3) 0.0220(9) Uani 1 1 d .
O8 O 0.7425(3) 0.6034(3) 0.1438(3) 0.0512(10) Uani 1 1 d .
O9 O 0.2782(2) 0.6672(2) 0.37496(19) 0.0231(6) Uani 1 1 d .
C9 C 0.3945(4) 0.3182(3) 0.0274(3) 0.0350(11) Uani 1 1 d .
H9 H 0.3345 0.2613 -0.0031 0.042 Uiso 1 1 calc R
O10 O 0.2881(3) 0.68208(19) 0.52405(19) 0.0237(6) Uani 1 1 d .
C10 C 0.4928(5) 0.3332(4) -0.0094(4) 0.0432(13) Uani 1 1 d .
H10 H 0.5009 0.2863 -0.0649 0.052 Uiso 1 1 calc R
O11 O 0.2221(3) 0.9267(2) 0.7519(2) 0.0288(7) Uani 1 1 d .
C11 C 0.5797(5) 0.4174(3) 0.0354(3) 0.0379(12) Uani 1 1 d .
H11 H 0.6480 0.4284 0.0115 0.045 Uiso 1 1 calc R
O12 O 0.1537(3) 1.0508(2) 0.7339(2) 0.0394(8) Uani 1 1 d .
C12 C 0.5640(4) 0.4859(3) 0.1169(3) 0.0237(9) Uani 1 1 d .
O13 O 0.5971(3) 0.5097(2) 0.3438(2) 0.0264(7) Uani 1 1 d .
C13 C 0.2804(4) 0.3792(3) 0.1581(3) 0.0209(9) Uani 1 1 d .
O14 O 0.6089(2) 0.3576(2) 0.3076(2) 0.0244(6) Uani 1 1 d .
C14 C 0.6494(4) 0.5838(3) 0.1707(3) 0.0268(10) Uani 1 1 d .
O15 O 1.1551(3) 0.3497(2) 0.4131(2) 0.0360(8) Uani 1 1 d .
C15 C 0.2286(4) 0.8048(3) 0.4810(3) 0.0199(8) Uani 1 1 d .
O16 O 0.9611(3) 0.2677(2) 0.3841(2) 0.0272(7) Uani 1 1 d .
C16 C 0.1930(4) 0.8421(3) 0.4139(3) 0.0295(10) Uani 1 1 d .
H16 H 0.1921 0.8091 0.3504 0.035 Uiso 1 1 calc R
O17 O 0.8264(3) 0.2427(2) 0.1865(2) 0.0303(7) Uani 1 1 d .
C17 C 0.1589(5) 0.9290(4) 0.4435(4) 0.0370(11) Uani 1 1 d .
H17 H 0.1367 0.9567 0.4004 0.044 Uiso 1 1 calc R
O18 O 0.8147(3) 0.2134(3) 0.0342(2) 0.0410(8) Uani 1 1 d .
C18 C 0.1578(4) 0.9749(3) 0.5378(4) 0.0332(11) Uani 1 1 d .
H18 H 0.1334 1.0332 0.5587 0.040 Uiso 1 1 calc R
O19 O 0.5194(3) 0.1628(2) 0.2994(2) 0.0271(7) Uani 1 1 d .
C19 C 0.1930(4) 0.9332(3) 0.6003(3) 0.0214(9) Uani 1 1 d .
O20 O 0.3187(3) 0.1031(2) 0.2182(2) 0.0365(8) Uani 1 1 d .
C20 C 0.2681(3) 0.7108(3) 0.4574(3) 0.0179(8) Uani 1 1 d .
O21 O 0.4287(3) 0.5573(2) 0.4486(2) 0.0268(7) Uani 1 1 d .
H21A H 0.3574 0.5691 0.4557 0.032 Uiso 1 1 d R
H21B H 0.4852 0.6038 0.4910 0.032 Uiso 1 1 d R
C21 C 0.1899(4) 0.9747(3) 0.7039(3) 0.0245(9) Uani 1 1 d .
C22 C 0.7972(4) 0.4713(3) 0.3540(3) 0.0198(8) Uani 1 1 d .
C23 C 0.8602(4) 0.5563(3) 0.3605(3) 0.0287(10) Uani 1 1 d .
H23 H 0.8168 0.6029 0.3552 0.034 Uiso 1 1 calc R
O23 O -0.0992(4) 0.7648(3) 0.1443(3) 0.0650(13) Uani 1 1 d .
H23A H -0.1752 0.7429 0.1406 0.078 Uiso 1 1 d R
H23B H -0.0842 0.8249 0.1751 0.078 Uiso 1 1 d R
C24 C 0.9899(4) 0.5714(3) 0.3750(4) 0.0392(12) Uani 1 1 d .
H24 H 1.0345 0.6277 0.3776 0.047 Uiso 1 1 calc R
O24 O 0.0333(3) 0.8915(2) 0.0610(3) 0.0486(9) Uani 1 1 d .
H24A H -0.0146 0.9313 0.0726 0.058 Uiso 1 1 d R
H24B H 0.0773 0.9099 0.0295 0.058 Uiso 1 1 d R
O25 O -0.1312(4) 0.5581(3) 0.0030(3) 0.0535(10) Uani 1 1 d .
H25A H -0.1741 0.5046 -0.0393 0.064 Uiso 1 1 d R
H25B H -0.1659 0.5736 0.0489 0.064 Uiso 1 1 d R
C25 C 1.0520(4) 0.5026(3) 0.3857(3) 0.0307(10) Uani 1 1 d .
H25 H 1.1391 0.5116 0.3958 0.037 Uiso 1 1 calc R
O26 O 0.6167(3) 0.6637(2) 0.6412(2) 0.0343(8) Uani 1 1 d .
H26A H 0.5591 0.6892 0.6630 0.041 Uiso 1 1 d R
H26B H 0.6521 0.6415 0.6798 0.041 Uiso 1 1 d R
C26 C 0.9824(3) 0.4200(3) 0.3812(3) 0.0203(8) Uani 1 1 d .
C27 C 0.6559(4) 0.4444(3) 0.3340(3) 0.0185(8) Uani 1 1 d .
O27 O 0.9105(3) 0.7992(3) 0.7922(3) 0.0484(9) Uani 1 1 d .
H27A H 0.9581 0.7591 0.7851 0.058 Uiso 1 1 d R
H27B H 0.8628 0.7887 0.8254 0.058 Uiso 1 1 d R
C28 C 1.0388(4) 0.3404(3) 0.3944(3) 0.0236(9) Uani 1 1 d .
O28 O 0.8975(3) 0.8284(3) 0.5309(3) 0.0415(8) Uani 1 1 d .
H28A H 0.9632 0.8058 0.5389 0.050 Uiso 1 1 d R
H28B H 0.8736 0.8125 0.4709 0.050 Uiso 1 1 d R
O29 O 0.8877(3) 0.9769(2) 0.7260(2) 0.0363(8) Uani 1 1 d .
H29A H 0.8795 1.0010 0.7825 0.044 Uiso 1 1 d R
H29B H 0.9621 0.9888 0.7205 0.044 Uiso 1 1 d R
C29 C 0.6305(4) 0.1630(3) 0.0737(3) 0.0219(9) Uani 1 1 d .
C30 C 0.5544(5) 0.1240(3) -0.0172(3) 0.0346(11) Uani 1 1 d .
H30 H 0.5864 0.1233 -0.0682 0.041 Uiso 1 1 calc R
O30 O 0.9032(3) 0.0351(2) 0.0961(2) 0.0407(8) Uani 1 1 d .
H30A H 0.9584 0.0840 0.1359 0.049 Uiso 1 1 d R
H30B H 0.8332 0.0452 0.1078 0.049 Uiso 1 1 d R
C31 C 0.4288(5) 0.0855(4) -0.0321(3) 0.0381(12) Uani 1 1 d .
H31 H 0.3754 0.0580 -0.0935 0.046 Uiso 1 1 calc R
O31 O 0.1812(4) 0.2062(3) 0.6597(3) 0.0709(13) Uani 1 1 d .
H31A H 0.2346 0.2569 0.6978 0.085 Uiso 1 1 d R
H31B H 0.1775 0.1677 0.6871 0.085 Uiso 1 1 d R
C32 C 0.3836(4) 0.0882(3) 0.0446(3) 0.0312(10) Uani 1 1 d .
H32 H 0.2987 0.0647 0.0363 0.037 Uiso 1 1 calc R
C33 C 0.4670(4) 0.1267(3) 0.1345(3) 0.0222(9) Uani 1 1 d .
C34 C 0.7687(4) 0.2104(3) 0.0997(3) 0.0252(9) Uani 1 1 d .
C35 C 0.4311(4) 0.1311(3) 0.2240(3) 0.0226(9) Uani 1 1 d .
O22 O 0.0167(8) 0.5627(5) -0.1377(4) 0.146(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'
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'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 '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
O13 Sm1 O3 84.84(9) . .
O13 Sm1 O5 87.27(10) . .
O3 Sm1 O5 150.76(9) . .
O13 Sm1 O1 140.81(10) . .
O3 Sm1 O1 126.91(9) . .
O5 Sm1 O1 74.21(9) . .
O13 Sm1 O7 76.86(10) . .
O3 Sm1 O7 78.98(9) . .
O5 Sm1 O7 126.31(9) . .
O1 Sm1 O7 86.67(10) . .
O13 Sm1 O9 137.25(10) . .
O3 Sm1 O9 81.71(9) . .
O5 Sm1 O9 85.22(9) . .
O1 Sm1 O9 76.27(9) . .
O7 Sm1 O9 138.52(9) . .
O13 Sm1 O21 67.04(10) . .
O3 Sm1 O21 74.82(9) . .
O5 Sm1 O21 76.17(10) . .
O1 Sm1 O21 136.61(10) . .
O7 Sm1 O21 136.68(10) . .
O9 Sm1 O21 70.29(9) . .
O13 Sm1 N1 138.56(10) . .
O3 Sm1 N1 63.79(9) . .
O5 Sm1 N1 133.17(10) . .
O1 Sm1 N1 63.18(9) . .
O7 Sm1 N1 71.33(10) . .
O9 Sm1 N1 67.22(10) . .
O21 Sm1 N1 123.44(10) . .
O13 Sm1 N2 70.22(10) . .
O3 Sm1 N2 137.67(10) . .
O5 Sm1 N2 63.68(10) . .
O1 Sm1 N2 70.61(10) . .
O7 Sm1 N2 62.67(10) . .
O9 Sm1 N2 139.29(10) . .
O21 Sm1 N2 121.53(10) . .
N1 Sm1 N2 115.03(10) . .
C6 O1 Sm1 124.6(2) . .
N1 C1 C2 121.8(4) . .
N1 C1 C6 114.0(3) . .
C2 C1 C6 124.1(4) . .
C5 N1 C1 119.0(3) . .
C5 N1 Sm1 120.3(2) . .
C1 N1 Sm1 120.5(3) . .
O19 Sm2 O10 78.54(9) . 2_666
O19 Sm2 O16 151.37(10) . .
O10 Sm2 O16 88.22(10) 2_666 .
O19 Sm2 O17 127.07(10) . .
O10 Sm2 O17 147.81(10) 2_666 .
O16 Sm2 O17 75.74(10) . .
O19 Sm2 O11 88.65(10) . 2_666
O10 Sm2 O11 126.23(9) 2_666 2_666
O16 Sm2 O11 78.82(10) . 2_666
O17 Sm2 O11 78.35(10) . 2_666
O19 Sm2 O14 75.12(9) . .
O10 Sm2 O14 73.73(9) 2_666 .
O16 Sm2 O14 125.48(9) . .
O17 Sm2 O14 92.93(10) . .
O11 Sm2 O14 151.69(10) 2_666 .
O19 Sm2 N5 63.82(10) . .
O10 Sm2 N5 135.79(10) 2_666 .
O16 Sm2 N5 135.69(10) . .
O17 Sm2 N5 63.28(10) . .
O11 Sm2 N5 77.20(10) 2_666 .
O14 Sm2 N5 74.85(10) . .
O19 Sm2 N4 135.99(10) . .
O10 Sm2 N4 77.45(10) 2_666 .
O16 Sm2 N4 62.98(9) . .
O17 Sm2 N4 70.41(10) . .
O11 Sm2 N4 135.10(10) 2_666 .
O14 Sm2 N4 62.99(9) . .
N5 Sm2 N4 113.91(10) . .
O19 Sm2 N3 79.10(10) . 2_666
O10 Sm2 N3 63.29(10) 2_666 2_666
O16 Sm2 N3 72.27(10) . 2_666
O17 Sm2 N3 133.44(10) . 2_666
O11 Sm2 N3 63.03(10) 2_666 2_666
O14 Sm2 N3 133.27(10) . 2_666
N5 Sm2 N3 125.68(10) . 2_666
N4 Sm2 N3 120.32(10) . 2_666
C6 O2 Sr3 170.6(3) . .
C3 C2 C1 118.9(4) . .
C3 C2 H2 120.6 . .
C1 C2 H2 120.6 . .
C8 N2 C12 119.7(3) . .
C8 N2 Sm1 119.4(3) . .
C12 N2 Sm1 120.9(3) . .
O2 Sr3 O18 78.38(12) . 2_665
O2 Sr3 O6 166.04(11) . 2_565
O18 Sr3 O6 106.37(10) 2_665 2_565
O2 Sr3 O23 93.47(14) . .
O18 Sr3 O23 132.90(12) 2_665 .
O6 Sr3 O23 92.55(13) 2_565 .
O2 Sr3 O22 88.9(2) . .
O18 Sr3 O22 82.2(2) 2_665 .
O6 Sr3 O22 78.9(2) 2_565 .
O23 Sr3 O22 144.5(2) . .
O2 Sr3 O25 89.11(12) . .
O18 Sr3 O25 151.03(12) 2_665 .
O6 Sr3 O25 80.59(11) 2_565 .
O23 Sr3 O25 73.25(12) . .
O22 Sr3 O25 71.4(2) . .
O2 Sr3 O24 106.66(12) . .
O18 Sr3 O24 64.83(11) 2_665 .
O6 Sr3 O24 87.11(11) 2_565 .
O23 Sr3 O24 73.80(12) . .
O22 Sr3 O24 138.9(2) . .
O25 Sr3 O24 144.13(12) . .
C7 O3 Sm1 124.5(2) . .
C7 O3 Sr4 86.4(2) . .
Sm1 O3 Sr4 148.84(11) . .
C15 N3 C19 118.8(3) . .
C15 N3 Sm2 119.8(2) . 2_666
C19 N3 Sm2 120.9(3) . 2_666
C4 C3 C2 119.4(4) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
O26 Sr4 O28 137.33(11) . .
O26 Sr4 O4 116.71(10) . .
O28 Sr4 O4 73.93(10) . .
O26 Sr4 O20 81.57(10) . 2_666
O28 Sr4 O20 140.93(11) . 2_666
O4 Sr4 O20 92.99(10) . 2_666
O26 Sr4 O15 66.64(10) . 2_766
O28 Sr4 O15 76.84(11) . 2_766
O4 Sr4 O15 133.56(10) . 2_766
O20 Sr4 O15 131.37(11) 2_666 2_766
O26 Sr4 O29 146.24(10) . .
O28 Sr4 O29 73.72(11) . .
O4 Sr4 O29 79.84(9) . .
O20 Sr4 O29 67.72(10) 2_666 .
O15 Sr4 O29 124.72(10) 2_766 .
O26 Sr4 O27 82.02(10) . .
O28 Sr4 O27 105.46(11) . .
O4 Sr4 O27 153.82(10) . .
O20 Sr4 O27 70.77(11) 2_666 .
O15 Sr4 O27 69.22(11) 2_766 .
O29 Sr4 O27 75.06(10) . .
O26 Sr4 O3 81.43(9) . .
O28 Sr4 O3 78.02(10) . .
O4 Sr4 O3 47.86(8) . .
O20 Sr4 O3 120.20(9) 2_666 .
O15 Sr4 O3 91.32(9) 2_766 .
O29 Sr4 O3 125.70(9) . .
O27 Sr4 O3 158.32(10) . .
O26 Sr4 C7 100.58(10) . .
O28 Sr4 C7 73.59(10) . .
O4 Sr4 C7 23.34(10) . .
O20 Sr4 C7 108.13(10) 2_666 .
O15 Sr4 C7 113.02(11) 2_766 .
O29 Sr4 C7 102.00(10) . .
O27 Sr4 C7 177.06(10) . .
O3 Sr4 C7 24.56(9) . .
O26 Sr4 C35 66.64(10) . 2_666
O28 Sr4 C35 154.75(10) . 2_666
O4 Sr4 C35 88.03(10) . 2_666
O20 Sr4 C35 20.16(10) 2_666 2_666
O15 Sr4 C35 127.99(10) 2_766 2_666
O29 Sr4 C35 85.99(10) . 2_666
O27 Sr4 C35 82.96(11) . 2_666
O3 Sr4 C35 103.07(9) . 2_666
C7 Sr4 C35 96.77(11) . 2_666
O26 Sr4 H26A 17.1 . .
O28 Sr4 H26A 151.2 . .
O4 Sr4 H26A 106.4 . .
O20 Sr4 H26A 67.5 2_666 .
O15 Sr4 H26A 83.7 2_766 .
O29 Sr4 H26A 135.1 . .
O27 Sr4 H26A 86.7 . .
O3 Sr4 H26A 81.5 . .
C7 Sr4 H26A 95.4 . .
C35 Sr4 H26A 50.7 2_666 .
C22 N4 C26 119.1(3) . .
C22 N4 Sm2 120.6(2) . .
C26 N4 Sm2 119.1(2) . .
C7 O4 Sr4 100.7(2) . .
C3 C4 C5 118.5(4) . .
C3 C4 H4 120.8 . .
C5 C4 H4 120.8 . .
N1 C5 C4 122.3(4) . .
N1 C5 C7 114.4(3) . .
C4 C5 C7 123.2(4) . .
C13 O5 Sm1 124.7(2) . .
C29 N5 C33 118.9(4) . .
C29 N5 Sm2 121.2(3) . .
C33 N5 Sm2 119.9(3) . .
C13 O6 Sr3 125.2(2) . 2_565
O2 C6 O1 124.9(4) . .
O2 C6 C1 118.2(4) . .
O1 C6 C1 116.8(3) . .
C14 O7 Sm1 125.7(3) . .
O4 C7 O3 124.8(4) . .
O4 C7 C5 118.4(3) . .
O3 C7 C5 116.8(3) . .
O4 C7 Sr4 56.0(2) . .
O3 C7 Sr4 69.0(2) . .
C5 C7 Sr4 173.8(3) . .
N2 C8 C9 120.9(4) . .
N2 C8 C13 114.8(3) . .
C9 C8 C13 124.3(4) . .
C20 O9 Sm1 134.9(2) . .
C10 C9 C8 119.5(4) . .
C10 C9 H9 120.2 . .
C8 C9 H9 120.2 . .
C20 O10 Sm2 125.9(2) . 2_666
C9 C10 C11 119.7(4) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C21 O11 Sm2 124.8(3) . 2_666
C10 C11 C12 118.6(4) . .
C10 C11 H11 120.7 . .
C12 C11 H11 120.7 . .
N2 C12 C11 121.6(4) . .
N2 C12 C14 114.4(3) . .
C11 C12 C14 124.0(4) . .
C27 O13 Sm1 159.7(3) . .
O6 C13 O5 125.8(4) . .
O6 C13 C8 117.3(4) . .
O5 C13 C8 116.9(3) . .
C27 O14 Sm2 124.2(2) . .
O8 C14 O7 125.2(4) . .
O8 C14 C12 119.1(4) . .
O7 C14 C12 115.7(3) . .
C28 O15 Sr4 118.2(3) . 2_766
N3 C15 C16 122.5(4) . .
N3 C15 C20 114.4(3) . .
C16 C15 C20 123.1(4) . .
C28 O16 Sm2 124.8(3) . .
C17 C16 C15 118.3(4) . .
C17 C16 H16 120.9 . .
C15 C16 H16 120.9 . .
C34 O17 Sm2 125.5(3) . .
C16 C17 C18 119.4(4) . .
C16 C17 H17 120.3 . .
C18 C17 H17 120.3 . .
C34 O18 Sr3 145.2(3) . 2_665
C19 C18 C17 119.1(4) . .
C19 C18 H18 120.4 . .
C17 C18 H18 120.4 . .
C35 O19 Sm2 125.2(2) . .
N3 C19 C18 121.9(4) . .
N3 C19 C21 114.4(3) . .
C18 C19 C21 123.7(4) . .
C35 O20 Sr4 114.0(3) . 2_666
O9 C20 O10 125.2(4) . .
O9 C20 C15 118.6(3) . .
O10 C20 C15 116.2(3) . .
Sm1 O21 H21A 102.3 . .
Sm1 O21 H21B 97.8 . .
H21A O21 H21B 107.7 . .
O12 C21 O11 125.7(4) . .
O12 C21 C19 118.0(4) . .
O11 C21 C19 116.3(3) . .
N4 C22 C23 122.3(4) . .
N4 C22 C27 114.0(3) . .
C23 C22 C27 123.7(4) . .
C22 C23 C24 118.6(4) . .
C22 C23 H23 120.7 . .
C24 C23 H23 120.7 . .
Sr3 O23 H23A 124.1 . .
Sr3 O23 H23B 114.9 . .
H23A O23 H23B 107.7 . .
C25 C24 C23 119.5(4) . .
C25 C24 H24 120.2 . .
C23 C24 H24 120.2 . .
Sr3 O24 H24A 135.5 . .
Sr3 O24 H24B 109.4 . .
H24A O24 H24B 103.4 . .
Sr3 O25 H25A 136.8 . .
Sr3 O25 H25B 109.8 . .
H25A O25 H25B 107.7 . .
C24 C25 C26 118.5(4) . .
C24 C25 H25 120.8 . .
C26 C25 H25 120.8 . .
Sr4 O26 H26A 101.6 . .
Sr4 O26 H26B 115.6 . .
H26A O26 H26B 107.7 . .
N4 C26 C25 121.9(4) . .
N4 C26 C28 114.1(3) . .
C25 C26 C28 123.9(4) . .
O13 C27 O14 126.4(4) . .
O13 C27 C22 117.1(3) . .
O14 C27 C22 116.5(3) . .
Sr4 O27 H27A 119.4 . .
Sr4 O27 H27B 106.2 . .
H27A O27 H27B 107.7 . .
O15 C28 O16 125.2(4) . .
O15 C28 C26 118.8(4) . .
O16 C28 C26 115.9(3) . .
Sr4 O28 H28A 112.5 . .
Sr4 O28 H28B 124.3 . .
H28A O28 H28B 104.5 . .
Sr4 O29 H29A 111.4 . .
Sr4 O29 H29B 118.7 . .
H29A O29 H29B 115.4 . .
N5 C29 C30 122.4(4) . .
N5 C29 C34 113.8(4) . .
C30 C29 C34 123.8(4) . .
C29 C30 C31 118.8(4) . .
C29 C30 H30 120.6 . .
C31 C30 H30 120.6 . .
H30A O30 H30B 105.8 . .
C32 C31 C30 119.5(4) . .
C32 C31 H31 120.3 . .
C30 C31 H31 120.3 . .
H31A O31 H31B 108.3 . .
C31 C32 C33 118.5(4) . .
C31 C32 H32 120.7 . .
C33 C32 H32 120.7 . .
N5 C33 C32 121.8(4) . .
N5 C33 C35 114.1(3) . .
C32 C33 C35 124.1(4) . .
O18 C34 O17 125.9(4) . .
O18 C34 C29 117.8(4) . .
O17 C34 C29 116.3(3) . .
O20 C35 O19 125.1(4) . .
O20 C35 C33 118.4(4) . .
O19 C35 C33 116.5(3) . .
O20 C35 Sr4 45.9(2) . 2_666
O19 C35 Sr4 85.2(2) . 2_666
C33 C35 Sr4 148.8(3) . 2_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O13 2.373(3) .
Sm1 O3 2.449(3) .
Sm1 O5 2.453(3) .
Sm1 O1 2.469(3) .
Sm1 O7 2.475(3) .
Sm1 O9 2.481(3) .
Sm1 O21 2.525(3) .
Sm1 N1 2.541(3) .
Sm1 N2 2.547(3) .
O1 C6 1.256(5) .
C1 N1 1.343(5) .
C1 C2 1.381(6) .
C1 C6 1.504(6) .
N1 C5 1.332(5) .
Sm2 O19 2.425(3) .
Sm2 O10 2.435(3) 2_666
Sm2 O16 2.441(3) .
Sm2 O17 2.457(3) .
Sm2 O11 2.482(3) 2_666
Sm2 O14 2.488(3) .
Sm2 N5 2.524(3) .
Sm2 N4 2.542(3) .
Sm2 N3 2.543(3) 2_666
O2 C6 1.234(5) .
O2 Sr3 2.426(3) .
C2 C3 1.380(6) .
C2 H2 0.9300 .
N2 C8 1.334(5) .
N2 C12 1.336(5) .
Sr3 O18 2.519(3) 2_665
Sr3 O6 2.529(3) 2_565
Sr3 O23 2.560(4) .
Sr3 O22 2.565(5) .
Sr3 O25 2.581(3) .
Sr3 O24 2.597(3) .
O3 C7 1.274(5) .
O3 Sr4 2.862(3) .
N3 C15 1.338(5) .
N3 C19 1.338(5) .
N3 Sm2 2.543(3) 2_666
C3 C4 1.379(6) .
C3 H3 0.9300 .
Sr4 O26 2.544(3) .
Sr4 O28 2.549(3) .
Sr4 O4 2.580(3) .
Sr4 O20 2.586(3) 2_666
Sr4 O15 2.597(3) 2_766
Sr4 O29 2.613(3) .
Sr4 O27 2.774(3) .
Sr4 C7 3.059(4) .
Sr4 C35 3.292(4) 2_666
Sr4 H26A 2.8392 .
N4 C22 1.331(5) .
N4 C26 1.339(5) .
O4 C7 1.233(5) .
C4 C5 1.386(6) .
C4 H4 0.9300 .
C5 C7 1.510(6) .
O5 C13 1.251(5) .
N5 C29 1.336(5) .
N5 C33 1.340(5) .
O6 C13 1.250(5) .
O6 Sr3 2.529(3) 2_565
O7 C14 1.259(5) .
C8 C9 1.380(6) .
C8 C13 1.509(6) .
O8 C14 1.233(5) .
O9 C20 1.248(5) .
C9 C10 1.361(7) .
C9 H9 0.9300 .
O10 C20 1.264(5) .
O10 Sm2 2.435(3) 2_666
C10 C11 1.367(7) .
C10 H10 0.9300 .
O11 C21 1.265(5) .
O11 Sm2 2.482(3) 2_666
C11 C12 1.381(6) .
C11 H11 0.9300 .
O12 C21 1.240(5) .
C12 C14 1.513(6) .
O13 C27 1.242(5) .
O14 C27 1.256(5) .
O15 C28 1.240(5) .
O15 Sr4 2.597(3) 2_766
C15 C16 1.383(6) .
C15 C20 1.500(6) .
O16 C28 1.268(5) .
C16 C17 1.374(7) .
C16 H16 0.9300 .
O17 C34 1.255(5) .
C17 C18 1.382(7) .
C17 H17 0.9300 .
O18 C34 1.240(5) .
O18 Sr3 2.519(3) 2_665
C18 C19 1.373(6) .
C18 H18 0.9300 .
O19 C35 1.258(5) .
C19 C21 1.513(6) .
O20 C35 1.242(5) .
O20 Sr4 2.586(3) 2_666
O21 H21A 0.8499 .
O21 H21B 0.8500 .
C22 C23 1.368(6) .
C22 C27 1.507(5) .
C23 C24 1.384(6) .
C23 H23 0.9300 .
O23 H23A 0.8501 .
O23 H23B 0.8500 .
C24 C25 1.373(7) .
C24 H24 0.9300 .
O24 H24A 0.8501 .
O24 H24B 0.8500 .
O25 H25A 0.8500 .
O25 H25B 0.8500 .
C25 C26 1.378(6) .
C25 H25 0.9300 .
O26 H26A 0.8501 .
O26 H26B 0.8500 .
C26 C28 1.500(6) .
O27 H27A 0.8500 .
O27 H27B 0.8500 .
O28 H28A 0.8500 .
O28 H28B 0.8499 .
O29 H29A 0.8500 .
O29 H29B 0.8501 .
C29 C30 1.363(6) .
C29 C34 1.518(6) .
C30 C31 1.382(7) .
C30 H30 0.9300 .
O30 H30A 0.8501 .
O30 H30B 0.8499 .
C31 C32 1.374(7) .
C31 H31 0.9300 .
O31 H31A 0.8500 .
O31 H31B 0.8500 .
C32 C33 1.383(6) .
C32 H32 0.9300 .
C33 C35 1.505(6) .
C35 Sr4 3.292(4) 2_666
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
O21 H21A O10 0.85 2.01 2.698(4) 137.6 .
O21 H21A O9 0.85 2.43 2.883(4) 113.7 .
O21 H21B O26 0.85 2.28 3.021(5) 145.9 .
O21 H21B O3 0.85 2.52 3.022(4) 118.9 .
O23 H23A O8 0.85 2.25 2.862(5) 128.4 1_455
O25 H25B O8 0.85 1.91 2.754(5) 175.0 1_455
O23 H23B O12 0.85 2.25 2.993(5) 145.8 2_576
O24 H24A O30 0.85 1.89 2.730(5) 169.3 1_465
O25 H25A O1 0.85 2.14 2.959(5) 161.9 2_565
O26 H26A O19 0.85 2.45 3.159(4) 141.4 2_666
O26 H26B O5 0.85 2.25 3.083(4) 167.4 2_666
O27 H27B O6 0.85 2.09 2.822(4) 143.3 2_666
O27 H27A O17 0.85 2.34 3.037(5) 139.2 2_766
O28 H28A O16 0.85 2.06 2.751(4) 137.9 2_766
O28 H28B O31 0.85 1.91 2.753(5) 172.5 2_666
O29 H29A O24 0.85 2.31 3.064(5) 147.6 2_676
O29 H29B O12 0.85 2.16 2.988(5) 166.4 1_655
O30 H30A O27 0.85 1.96 2.805(5) 169.8 2_766
O31 H31A O7 0.85 1.95 2.777(5) 164.5 2_666
O31 H31A O8 0.85 2.55 3.240(5) 138.5 2_666
O31 H31B O12 0.85 2.19 3.028(5) 170.6 1_545
C17 H17 O29 0.93 2.52 3.437(6) 169.3 2_676
C18 H18 O31 0.93 2.47 3.318(6) 150.8 1_565
C32 H32 O30 0.93 2.58 3.352(6) 141.1 2_655
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_4
O13 Sm1 O1 C6 -143.3(3) . .
O3 Sm1 O1 C6 -5.3(3) . .
O5 Sm1 O1 C6 151.8(3) . .
O7 Sm1 O1 C6 -78.9(3) . .
O9 Sm1 O1 C6 63.0(3) . .
O21 Sm1 O1 C6 103.2(3) . .
N1 Sm1 O1 C6 -8.2(3) . .
N2 Sm1 O1 C6 -141.1(3) . .
C2 C1 N1 C5 3.6(6) . .
C6 C1 N1 C5 -172.9(3) . .
C2 C1 N1 Sm1 178.1(3) . .
C6 C1 N1 Sm1 1.5(4) . .
O13 Sm1 N1 C5 -45.3(3) . .
O3 Sm1 N1 C5 -0.4(3) . .
O5 Sm1 N1 C5 150.2(3) . .
O1 Sm1 N1 C5 177.0(3) . .
O7 Sm1 N1 C5 -87.1(3) . .
O9 Sm1 N1 C5 91.4(3) . .
O21 Sm1 N1 C5 47.1(3) . .
N2 Sm1 N1 C5 -133.3(3) . .
O13 Sm1 N1 C1 140.3(3) . .
O3 Sm1 N1 C1 -174.8(3) . .
O5 Sm1 N1 C1 -24.2(3) . .
O1 Sm1 N1 C1 2.7(3) . .
O7 Sm1 N1 C1 98.5(3) . .
O9 Sm1 N1 C1 -83.0(3) . .
O21 Sm1 N1 C1 -127.3(3) . .
N2 Sm1 N1 C1 52.4(3) . .
N1 C1 C2 C3 -0.4(6) . .
C6 C1 C2 C3 175.8(4) . .
O13 Sm1 N2 C8 98.4(3) . .
O3 Sm1 N2 C8 156.0(3) . .
O5 Sm1 N2 C8 1.5(3) . .
O1 Sm1 N2 C8 -80.0(3) . .
O7 Sm1 N2 C8 -176.5(3) . .
O9 Sm1 N2 C8 -42.7(3) . .
O21 Sm1 N2 C8 53.4(3) . .
N1 Sm1 N2 C8 -126.2(3) . .
O13 Sm1 N2 C12 -79.7(3) . .
O3 Sm1 N2 C12 -22.1(4) . .
O5 Sm1 N2 C12 -176.6(3) . .
O1 Sm1 N2 C12 101.9(3) . .
O7 Sm1 N2 C12 5.4(3) . .
O9 Sm1 N2 C12 139.2(3) . .
O21 Sm1 N2 C12 -124.7(3) . .
N1 Sm1 N2 C12 55.7(3) . .
C6 O2 Sr3 O18 105(2) . 2_665
C6 O2 Sr3 O6 -143.9(18) . 2_565
C6 O2 Sr3 O23 -28(2) . .
C6 O2 Sr3 O22 -173(2) . .
C6 O2 Sr3 O25 -102(2) . .
C6 O2 Sr3 O24 46(2) . .
O13 Sm1 O3 C7 156.2(3) . .
O5 Sm1 O3 C7 -128.8(3) . .
O1 Sm1 O3 C7 1.4(3) . .
O7 Sm1 O3 C7 78.7(3) . .
O9 Sm1 O3 C7 -64.4(3) . .
O21 Sm1 O3 C7 -136.2(3) . .
N1 Sm1 O3 C7 4.2(3) . .
N2 Sm1 O3 C7 103.4(3) . .
O13 Sm1 O3 Sr4 -32.6(2) . .
O5 Sm1 O3 Sr4 42.4(3) . .
O1 Sm1 O3 Sr4 172.56(19) . .
O7 Sm1 O3 Sr4 -110.2(2) . .
O9 Sm1 O3 Sr4 106.7(2) . .
O21 Sm1 O3 Sr4 35.0(2) . .
N1 Sm1 O3 Sr4 175.4(3) . .
N2 Sm1 O3 Sr4 -85.4(3) . .
C1 C2 C3 C4 -2.1(6) . .
C7 O3 Sr4 O26 140.9(2) . .
Sm1 O3 Sr4 O26 -31.8(2) . .
C7 O3 Sr4 O28 -76.7(2) . .
Sm1 O3 Sr4 O28 110.6(2) . .
C7 O3 Sr4 O4 2.4(2) . .
Sm1 O3 Sr4 O4 -170.3(3) . .
C7 O3 Sr4 O20 66.0(2) . 2_666
Sm1 O3 Sr4 O20 -106.8(2) . 2_666
C7 O3 Sr4 O15 -152.9(2) . 2_766
Sm1 O3 Sr4 O15 34.3(2) . 2_766
C7 O3 Sr4 O29 -17.0(3) . .
Sm1 O3 Sr4 O29 170.2(2) . .
C7 O3 Sr4 O27 -178.4(3) . .
Sm1 O3 Sr4 O27 8.8(4) . .
Sm1 O3 Sr4 C7 -172.7(4) . .
C7 O3 Sr4 C35 77.5(2) . 2_666
Sm1 O3 Sr4 C35 -95.3(2) . 2_666
O19 Sm2 N4 C22 -25.0(4) . .
O10 Sm2 N4 C22 -83.4(3) 2_666 .
O16 Sm2 N4 C22 -177.9(3) . .
O17 Sm2 N4 C22 98.5(3) . .
O11 Sm2 N4 C22 147.2(3) 2_666 .
O14 Sm2 N4 C22 -5.5(3) . .
N5 Sm2 N4 C22 51.4(3) . .
N3 Sm2 N4 C22 -131.9(3) 2_666 .
O19 Sm2 N4 C26 167.7(2) . .
O10 Sm2 N4 C26 109.3(3) 2_666 .
O16 Sm2 N4 C26 14.8(3) . .
O17 Sm2 N4 C26 -68.7(3) . .
O11 Sm2 N4 C26 -20.1(3) 2_666 .
O14 Sm2 N4 C26 -172.8(3) . .
N5 Sm2 N4 C26 -115.9(3) . .
N3 Sm2 N4 C26 60.9(3) 2_666 .
O26 Sr4 O4 C7 -49.6(3) . .
O28 Sr4 O4 C7 85.7(3) . .
O20 Sr4 O4 C7 -131.7(3) 2_666 .
O15 Sr4 O4 C7 32.6(3) 2_766 .
O29 Sr4 O4 C7 161.6(3) . .
O27 Sr4 O4 C7 178.2(3) . .
O3 Sr4 O4 C7 -2.5(2) . .
C35 Sr4 O4 C7 -112.2(3) 2_666 .
C2 C3 C4 C5 1.5(6) . .
C1 N1 C5 C4 -4.3(6) . .
Sm1 N1 C5 C4 -178.8(3) . .
C1 N1 C5 C7 172.0(3) . .
Sm1 N1 C5 C7 -2.4(4) . .
C3 C4 C5 N1 1.8(6) . .
C3 C4 C5 C7 -174.3(4) . .
O13 Sm1 O5 C13 -75.0(3) . .
O3 Sm1 O5 C13 -149.4(3) . .
O1 Sm1 O5 C13 70.1(3) . .
O7 Sm1 O5 C13 -3.5(3) . .
O9 Sm1 O5 C13 147.1(3) . .
O21 Sm1 O5 C13 -142.0(3) . .
N1 Sm1 O5 C13 94.8(3) . .
N2 Sm1 O5 C13 -5.8(3) . .
O19 Sm2 N5 C29 -176.9(3) . .
O10 Sm2 N5 C29 148.5(3) 2_666 .
O16 Sm2 N5 C29 -23.2(3) . .
O17 Sm2 N5 C29 1.2(3) . .
O11 Sm2 N5 C29 -82.0(3) 2_666 .
O14 Sm2 N5 C29 102.5(3) . .
N4 Sm2 N5 C29 51.9(3) . .
N3 Sm2 N5 C29 -124.7(3) 2_666 .
O19 Sm2 N5 C33 3.3(3) . .
O10 Sm2 N5 C33 -31.3(3) 2_666 .
O16 Sm2 N5 C33 157.0(3) . .
O17 Sm2 N5 C33 -178.6(3) . .
O11 Sm2 N5 C33 98.1(3) 2_666 .
O14 Sm2 N5 C33 -77.3(3) . .
N4 Sm2 N5 C33 -127.9(3) . .
N3 Sm2 N5 C33 55.5(3) 2_666 .
Sr3 O2 C6 O1 132.8(18) . .
Sr3 O2 C6 C1 -46(2) . .
Sm1 O1 C6 O2 -166.7(3) . .
Sm1 O1 C6 C1 12.1(5) . .
N1 C1 C6 O2 170.5(4) . .
C2 C1 C6 O2 -6.0(6) . .
N1 C1 C6 O1 -8.4(5) . .
C2 C1 C6 O1 175.1(4) . .
O13 Sm1 O7 C14 66.7(3) . .
O3 Sm1 O7 C14 153.9(4) . .
O5 Sm1 O7 C14 -9.8(4) . .
O1 Sm1 O7 C14 -77.4(3) . .
O9 Sm1 O7 C14 -142.3(3) . .
O21 Sm1 O7 C14 100.5(3) . .
N1 Sm1 O7 C14 -140.2(4) . .
N2 Sm1 O7 C14 -7.6(3) . .
Sr4 O4 C7 O3 5.1(4) . .
Sr4 O4 C7 C5 -177.0(3) . .
Sm1 O3 C7 O4 170.9(3) . .
Sr4 O3 C7 O4 -4.5(4) . .
Sm1 O3 C7 C5 -7.0(5) . .
Sr4 O3 C7 C5 177.6(3) . .
Sm1 O3 C7 Sr4 175.4(2) . .
N1 C5 C7 O4 -172.1(4) . .
C4 C5 C7 O4 4.2(6) . .
N1 C5 C7 O3 5.9(5) . .
C4 C5 C7 O3 -177.7(4) . .
N1 C5 C7 Sr4 164(2) . .
C4 C5 C7 Sr4 -19(3) . .
O26 Sr4 C7 O4 136.2(2) . .
O28 Sr4 C7 O4 -87.4(3) . .
O20 Sr4 C7 O4 51.7(3) 2_666 .
O15 Sr4 C7 O4 -154.9(2) 2_766 .
O29 Sr4 C7 O4 -18.6(3) . .
O27 Sr4 C7 O4 -16(2) . .
O3 Sr4 C7 O4 175.5(4) . .
C35 Sr4 C7 O4 68.8(3) 2_666 .
O26 Sr4 C7 O3 -39.3(2) . .
O28 Sr4 C7 O3 97.1(2) . .
O4 Sr4 C7 O3 -175.5(4) . .
O20 Sr4 C7 O3 -123.8(2) 2_666 .
O15 Sr4 C7 O3 29.6(2) 2_766 .
O29 Sr4 C7 O3 165.9(2) . .
O27 Sr4 C7 O3 169(2) . .
C35 Sr4 C7 O3 -106.8(2) 2_666 .
O26 Sr4 C7 C5 161(2) . .
O28 Sr4 C7 C5 -62(2) . .
O4 Sr4 C7 C5 25(2) . .
O20 Sr4 C7 C5 77(2) 2_666 .
O15 Sr4 C7 C5 -130(2) 2_766 .
O29 Sr4 C7 C5 7(2) . .
O27 Sr4 C7 C5 9(4) . .
O3 Sr4 C7 C5 -159(3) . .
C35 Sr4 C7 C5 94(2) 2_666 .
C12 N2 C8 C9 -1.3(6) . .
Sm1 N2 C8 C9 -179.4(3) . .
C12 N2 C8 C13 179.9(3) . .
Sm1 N2 C8 C13 1.7(4) . .
O13 Sm1 O9 C20 38.8(4) . .
O3 Sm1 O9 C20 -34.2(3) . .
O5 Sm1 O9 C20 119.6(4) . .
O1 Sm1 O9 C20 -165.6(4) . .
O7 Sm1 O9 C20 -97.1(4) . .
O21 Sm1 O9 C20 42.5(3) . .
N1 Sm1 O9 C20 -99.2(4) . .
N2 Sm1 O9 C20 158.3(3) . .
N2 C8 C9 C10 1.8(7) . .
C13 C8 C9 C10 -179.5(4) . .
C8 C9 C10 C11 -0.7(8) . .
C9 C10 C11 C12 -0.8(8) . .
C8 N2 C12 C11 -0.2(6) . .
Sm1 N2 C12 C11 177.9(4) . .
C8 N2 C12 C14 178.1(4) . .
Sm1 N2 C12 C14 -3.8(5) . .
C10 C11 C12 N2 1.3(7) . .
C10 C11 C12 C14 -176.9(5) . .
O3 Sm1 O13 C27 -165.4(8) . .
O5 Sm1 O13 C27 42.8(8) . .
O1 Sm1 O13 C27 -17.9(8) . .
O7 Sm1 O13 C27 -85.5(8) . .
O9 Sm1 O13 C27 122.7(7) . .
O21 Sm1 O13 C27 118.9(8) . .
N1 Sm1 O13 C27 -126.0(7) . .
N2 Sm1 O13 C27 -20.2(8) . .
Sr3 O6 C13 O5 91.8(4) 2_565 .
Sr3 O6 C13 C8 -88.2(4) 2_565 .
Sm1 O5 C13 O6 -171.2(3) . .
Sm1 O5 C13 C8 8.8(5) . .
N2 C8 C13 O6 173.4(3) . .
C9 C8 C13 O6 -5.4(6) . .
N2 C8 C13 O5 -6.6(5) . .
C9 C8 C13 O5 174.6(4) . .
O19 Sm2 O14 C27 162.1(3) . .
O10 Sm2 O14 C27 80.0(3) 2_666 .
O16 Sm2 O14 C27 4.3(3) . .
O17 Sm2 O14 C27 -70.2(3) . .
O11 Sm2 O14 C27 -140.9(3) 2_666 .
N5 Sm2 O14 C27 -131.5(3) . .
N4 Sm2 O14 C27 -4.0(3) . .
N3 Sm2 O14 C27 103.4(3) 2_666 .
Sm1 O7 C14 O8 -172.4(4) . .
Sm1 O7 C14 C12 8.6(5) . .
N2 C12 C14 O8 178.1(4) . .
C11 C12 C14 O8 -3.5(7) . .
N2 C12 C14 O7 -2.7(6) . .
C11 C12 C14 O7 175.6(4) . .
C19 N3 C15 C16 -0.7(6) . .
Sm2 N3 C15 C16 171.6(3) 2_666 .
C19 N3 C15 C20 -179.4(3) . .
Sm2 N3 C15 C20 -7.1(4) 2_666 .
O19 Sm2 O16 C28 -153.2(3) . .
O10 Sm2 O16 C28 -91.4(3) 2_666 .
O17 Sm2 O16 C28 60.4(3) . .
O11 Sm2 O16 C28 141.1(3) 2_666 .
O14 Sm2 O16 C28 -22.9(4) . .
N5 Sm2 O16 C28 82.8(3) . .
N4 Sm2 O16 C28 -14.6(3) . .
N3 Sm2 O16 C28 -153.9(3) 2_666 .
N3 C15 C16 C17 1.6(6) . .
C20 C15 C16 C17 -179.8(4) . .
O19 Sm2 O17 C34 1.7(4) . .
O10 Sm2 O17 C34 -135.4(3) 2_666 .
O16 Sm2 O17 C34 162.2(3) . .
O11 Sm2 O17 C34 81.0(3) 2_666 .
O14 Sm2 O17 C34 -71.8(3) . .
N5 Sm2 O17 C34 -0.4(3) . .
N4 Sm2 O17 C34 -131.8(3) . .
N3 Sm2 O17 C34 114.6(3) 2_666 .
C15 C16 C17 C18 -1.8(7) . .
C16 C17 C18 C19 1.2(7) . .
O10 Sm2 O19 C35 149.7(3) 2_666 .
O16 Sm2 O19 C35 -146.2(3) . .
O17 Sm2 O19 C35 -8.6(4) . .
O11 Sm2 O19 C35 -82.9(3) 2_666 .
O14 Sm2 O19 C35 73.7(3) . .
N5 Sm2 O19 C35 -6.5(3) . .
N4 Sm2 O19 C35 91.6(3) . .
N3 Sm2 O19 C35 -145.6(3) 2_666 .
C15 N3 C19 C18 0.0(6) . .
Sm2 N3 C19 C18 -172.2(3) 2_666 .
C15 N3 C19 C21 177.2(3) . .
Sm2 N3 C19 C21 5.0(4) 2_666 .
C17 C18 C19 N3 -0.2(7) . .
C17 C18 C19 C21 -177.2(4) . .
Sm1 O9 C20 O10 -52.3(5) . .
Sm1 O9 C20 C15 127.9(3) . .
Sm2 O10 C20 O9 -179.0(3) 2_666 .
Sm2 O10 C20 C15 0.8(5) 2_666 .
N3 C15 C20 O9 -175.9(3) . .
C16 C15 C20 O9 5.4(6) . .
N3 C15 C20 O10 4.3(5) . .
C16 C15 C20 O10 -174.4(4) . .
Sm2 O11 C21 O12 171.2(3) 2_666 .
Sm2 O11 C21 C19 -7.0(5) 2_666 .
N3 C19 C21 O12 -177.4(4) . .
C18 C19 C21 O12 -0.2(6) . .
N3 C19 C21 O11 1.0(5) . .
C18 C19 C21 O11 178.2(4) . .
C26 N4 C22 C23 0.8(6) . .
Sm2 N4 C22 C23 -166.5(3) . .
C26 N4 C22 C27 179.8(3) . .
Sm2 N4 C22 C27 12.5(4) . .
N4 C22 C23 C24 1.7(7) . .
C27 C22 C23 C24 -177.2(4) . .
C22 C23 C24 C25 -2.1(7) . .
C23 C24 C25 C26 0.2(7) . .
C22 N4 C26 C25 -2.9(6) . .
Sm2 N4 C26 C25 164.6(3) . .
C22 N4 C26 C28 177.7(4) . .
Sm2 N4 C26 C28 -14.9(4) . .
C24 C25 C26 N4 2.3(7) . .
C24 C25 C26 C28 -178.3(4) . .
Sm1 O13 C27 O14 -51.5(10) . .
Sm1 O13 C27 C22 127.4(7) . .
Sm2 O14 C27 O13 -169.5(3) . .
Sm2 O14 C27 C22 11.6(5) . .
N4 C22 C27 O13 165.5(3) . .
C23 C22 C27 O13 -15.5(6) . .
N4 C22 C27 O14 -15.5(5) . .
C23 C22 C27 O14 163.5(4) . .
Sr4 O15 C28 O16 24.0(6) 2_766 .
Sr4 O15 C28 C26 -155.1(3) 2_766 .
Sm2 O16 C28 O15 -166.4(3) . .
Sm2 O16 C28 C26 12.7(5) . .
N4 C26 C28 O15 -178.5(4) . .
C25 C26 C28 O15 2.0(6) . .
N4 C26 C28 O16 2.3(5) . .
C25 C26 C28 O16 -177.2(4) . .
C33 N5 C29 C30 -0.9(6) . .
Sm2 N5 C29 C30 179.3(3) . .
C33 N5 C29 C34 178.0(3) . .
Sm2 N5 C29 C34 -1.8(4) . .
N5 C29 C30 C31 1.0(7) . .
C34 C29 C30 C31 -177.8(4) . .
C29 C30 C31 C32 0.6(7) . .
C30 C31 C32 C33 -2.2(7) . .
C29 N5 C33 C32 -0.9(6) . .
Sm2 N5 C33 C32 179.0(3) . .
C29 N5 C33 C35 179.3(3) . .
Sm2 N5 C33 C35 -0.8(4) . .
C31 C32 C33 N5 2.4(7) . .
C31 C32 C33 C35 -177.8(4) . .
Sr3 O18 C34 O17 -18.1(8) 2_665 .
Sr3 O18 C34 C29 162.5(3) 2_665 .
Sm2 O17 C34 O18 -179.7(3) . .
Sm2 O17 C34 C29 -0.3(5) . .
N5 C29 C34 O18 -179.2(4) . .
C30 C29 C34 O18 -0.3(6) . .
N5 C29 C34 O17 1.4(5) . .
C30 C29 C34 O17 -179.8(4) . .
Sr4 O20 C35 O19 34.4(5) 2_666 .
Sr4 O20 C35 C33 -146.1(3) 2_666 .
Sm2 O19 C35 O20 -172.0(3) . .
Sm2 O19 C35 C33 8.5(5) . .
Sm2 O19 C35 Sr4 -148.0(2) . 2_666
N5 C33 C35 O20 175.9(4) . .
C32 C33 C35 O20 -3.9(6) . .
N5 C33 C35 O19 -4.6(5) . .
C32 C33 C35 O19 175.6(4) . .
N5 C33 C35 Sr4 125.4(4) . 2_666
C32 C33 C35 Sr4 -54.4(7) . 2_666
