#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:29:14 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179581 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/46/4504648.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_4504648
loop_
_publ_author_name
'Wu, Jing-Yun'
'Yeh, Tzu-Tang'
'Wen, Yuh-Sheng'
'Twu, Jen'
'Lu, Kuang-Lieh'
_publ_section_title
;
 Unusual Robust Luminescent Porous Frameworks Self-Assembled from
 Lanthanide Ions and 2,2‘-Bipyridine-4,4‘-dicarboxylate
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              467
_journal_paper_doi               10.1021/cg050393j
_journal_volume                  6
_journal_year                    2006
_chemical_formula_sum            'C36 H26 N6 O16 Sm2'
_chemical_formula_weight         1099.33
_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                95.16(3)
_cell_angle_beta                 103.38(3)
_cell_angle_gamma                100.60(3)
_cell_formula_units_Z            2
_cell_length_a                   11.368(2)
_cell_length_b                   12.223(2)
_cell_length_c                   14.362(3)
_cell_measurement_temperature    298(2)
_cell_volume                     1889.9(7)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf Nonius TurboCAD4'
_diffrn_measurement_method       'non-profiled omega/2theta 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  0.0192
_diffrn_reflns_av_sigmaI/netI    0.0412
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7008
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    3.161
_exptl_absorpt_correction_T_max  0.9994
_exptl_absorpt_correction_T_min  0.9113
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.27
_refine_diff_density_max         1.051
_refine_diff_density_min         -0.700
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       0.00082(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     638
_refine_ls_number_reflns         6642
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0268
_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)+(0.0380P)²+0.5200P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0673
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                5271
_reflns_number_total             6642
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg050393jsi20050808_100251.cif
_cod_data_source_block           compound_1_i5855
_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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1890.0(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4504648
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
Sm1 Sm 0.79266(2) 0.363765(18) 0.389389(15) 0.01863(8) Uani 1 1 d
Sm2 Sm 0.60402(2) 0.165178(17) 0.134099(15) 0.01518(8) Uani 1 1 d
O1 O 0.6522(3) 0.3753(3) 0.2411(2) 0.0275(8) Uani 1 1 d
O2 O 0.5964(3) 0.3528(3) 0.0825(2) 0.0293(8) Uani 1 1 d
O3 O 0.7052(3) 1.1605(2) 0.3057(2) 0.0239(7) Uani 1 1 d
O4 O 0.7550(4) 1.1910(3) 0.4640(2) 0.0363(9) Uani 1 1 d
O5 O 0.9032(3) 0.3593(3) 0.2701(2) 0.0378(9) Uani 1 1 d
O6 O 0.8094(3) 0.2449(3) 0.1333(2) 0.0262(8) Uani 1 1 d
O7 O 1.4332(3) 0.8619(3) 0.0311(2) 0.0259(7) Uani 1 1 d
O8 O 1.4833(3) 0.9944(3) 0.1579(2) 0.0267(8) Uani 1 1 d
O9 O 0.8551(3) 0.5575(3) 0.3980(3) 0.0346(9) Uani 1 1 d
O10 O 0.9914(3) 0.6247(3) 0.5390(2) 0.0287(8) Uani 1 1 d
O11 O 0.4084(3) 0.1943(3) 0.1421(3) 0.0318(8) Uani 1 1 d
O12 O 0.3917(4) 0.2144(5) 0.2929(3) 0.0716(16) Uani 1 1 d
O81 O 0.8238(4) 0.4288(4) 0.5624(3) 0.0392(10) Uani 1 1 d
O82 O 0.5899(4) 0.3569(5) 0.4133(3) 0.0501(12) Uani 1 1 d
O83 O 0.7085(3) 0.0096(3) 0.1057(3) 0.0259(8) Uani 1 1 d
O91 O 0.5337(8) 0.4208(5) 0.5755(5) 0.097(3) Uani 1 1 d
N1 N 0.6586(4) 0.7701(3) 0.1538(3) 0.0235(9) Uani 1 1 d
N2 N 0.6279(5) 0.7707(3) 0.3985(3) 0.0347(11) Uani 1 1 d
N11 N 1.1720(4) 0.4867(3) 0.0556(3) 0.0344(11) Uani 1 1 d
N12 N 1.2302(4) 0.6822(4) 0.2725(3) 0.0347(11) Uani 1 1 d
N21 N 1.0011(5) 0.9645(3) 0.3758(3) 0.0383(12) Uani 1 1 d
N31 N -0.0429(4) 0.0435(3) 0.1091(3) 0.0244(9) Uani 1 1 d
C1 C 0.6497(4) 0.7266(4) 0.2356(3) 0.0219(10) Uani 1 1 d
C2 C 0.6392(4) 0.6124(4) 0.2419(3) 0.0218(10) Uani 1 1 d
C3 C 0.6358(4) 0.5391(4) 0.1617(3) 0.0206(10) Uani 1 1 d
C4 C 0.6416(5) 0.5836(4) 0.0764(4) 0.0250(11) Uani 1 1 d
C5 C 0.6537(5) 0.6985(4) 0.0761(3) 0.0245(10) Uani 1 1 d
C6 C 0.6271(4) 0.4146(4) 0.1618(3) 0.0209(10) Uani 1 1 d
C7 C 0.6544(5) 0.8100(4) 0.3203(3) 0.0235(10) Uani 1 1 d
C8 C 0.6861(5) 0.9249(4) 0.3157(3) 0.0236(10) Uani 1 1 d
C9 C 0.6850(5) 1.0010(4) 0.3919(3) 0.0236(10) Uani 1 1 d
C10 C 0.6595(6) 0.9596(5) 0.4730(4) 0.0370(14) Uani 1 1 d
C11 C 0.6298(7) 0.8454(5) 0.4728(4) 0.0444(16) Uani 1 1 d
C12 C 0.7167(4) 1.1244(4) 0.3879(3) 0.0224(10) Uani 1 1 d
C13 C 1.1546(4) 0.5327(4) 0.1384(3) 0.0244(10) Uani 1 1 d
C14 C 1.0659(5) 0.4805(4) 0.1810(3) 0.0244(11) Uani 1 1 d
C15 C 0.9898(4) 0.3786(4) 0.1379(3) 0.0204(10) Uani 1 1 d
C16 C 1.0064(5) 0.3313(4) 0.0523(4) 0.0280(11) Uani 1 1 d
C17 C 1.0977(5) 0.3865(4) 0.0146(4) 0.0364(13) Uani 1 1 d
C18 C 0.8937(4) 0.3232(4) 0.1833(3) 0.0219(10) Uani 1 1 d
C19 C 1.2322(4) 0.6466(4) 0.1815(3) 0.0246(11) Uani 1 1 d
C20 C 1.2959(5) 0.7132(4) 0.1274(3) 0.0227(10) Uani 1 1 d
C21 C 1.3585(4) 0.8217(4) 0.1686(3) 0.0231(10) Uani 1 1 d
C22 C 1.3541(5) 0.8596(4) 0.2613(4) 0.0326(12) Uani 1 1 d
C23 C 1.2918(6) 0.7864(5) 0.3104(4) 0.0410(15) Uani 1 1 d
C24 C 1.4299(4) 0.8989(4) 0.1143(3) 0.0190(9) Uani 1 1 d
C25 C 0.9921(5) 0.9485(4) 0.4657(3) 0.0272(11) Uani 1 1 d
C26 C 0.9678(5) 0.8432(4) 0.4925(4) 0.0269(12) Uani 1 1 d
C27 C 0.9524(4) 0.7497(4) 0.4257(3) 0.0253(11) Uani 1 1 d
C28 C 0.9587(6) 0.7657(4) 0.3336(4) 0.0357(13) Uani 1 1 d
C29 C 0.9856(7) 0.8726(5) 0.3128(4) 0.0454(16) Uani 1 1 d
C30 C 0.9318(5) 0.6354(4) 0.4556(4) 0.0257(11) Uani 1 1 d
C31 C 0.0305(4) 0.0324(4) 0.0489(3) 0.0234(10) Uani 1 1 d
C32 C 0.1581(5) 0.0773(4) 0.0787(4) 0.0288(11) Uani 1 1 d
C33 C 0.2108(4) 0.1350(4) 0.1705(4) 0.0271(11) Uani 1 1 d
C34 C 0.1344(5) 0.1447(5) 0.2324(4) 0.0313(12) Uani 1 1 d
C35 C 0.0090(5) 0.0994(4) 0.1982(4) 0.0267(11) Uani 1 1 d
C36 C 0.3479(5) 0.1865(5) 0.2049(4) 0.0329(12) Uani 1 1 d
H2 H 0.633(4) 0.586(4) 0.299(3) 0.007(10) Uiso 1 1 d
H4 H 0.645(5) 0.544(5) 0.024(4) 0.035(15) Uiso 1 1 d
H5 H 0.654(4) 0.736(4) 0.018(3) 0.020(12) Uiso 1 1 d
H8 H 0.702(4) 0.951(4) 0.259(4) 0.023(13) Uiso 1 1 d
H10 H 0.660(5) 1.005(5) 0.520(4) 0.042(18) Uiso 1 1 d
H11 H 0.611(7) 0.816(6) 0.522(5) 0.07(2) Uiso 1 1 d
H14 H 1.062(4) 0.516(4) 0.235(4) 0.021(13) Uiso 1 1 d
H16 H 0.956(5) 0.270(4) 0.019(4) 0.026(14) Uiso 1 1 d
H17 H 1.114(5) 0.365(4) -0.044(4) 0.026(13) Uiso 1 1 d
H20 H 1.302(5) 0.692(4) 0.071(4) 0.030(15) Uiso 1 1 d
H22 H 1.398(5) 0.934(5) 0.291(4) 0.043(16) Uiso 1 1 d
H23 H 1.286(6) 0.815(5) 0.378(5) 0.056(19) Uiso 1 1 d
H26 H 0.977(5) 0.842(4) 0.541(4) 0.018(16) Uiso 1 1 d
H28 H 0.949(5) 0.708(5) 0.289(4) 0.035(15) Uiso 1 1 d
H29 H 0.985(5) 0.882(4) 0.255(4) 0.029(15) Uiso 1 1 d
H32 H 0.202(5) 0.070(4) 0.037(4) 0.026(14) Uiso 1 1 d
H34 H 0.162(5) 0.179(5) 0.297(4) 0.035(15) Uiso 1 1 d
H35 H -0.048(5) 0.106(4) 0.240(4) 0.027(14) Uiso 1 1 d
H81A H 0.865(5) 0.488(4) 0.579(3) 0.012(13) Uiso 1 1 d
H81B H 0.799(7) 0.408(7) 0.602(6) 0.07(3) Uiso 1 1 d
H82A H 0.536(9) 0.321(8) 0.385(7) 0.10(4) Uiso 1 1 d
H83A H 0.785(5) 0.015(4) 0.100(3) 0.008(11) Uiso 1 1 d
H83B H 0.675(7) -0.053(6) 0.102(6) 0.08(3) Uiso 1 1 d
H91A H 0.505(9) 0.376(8) 0.597(7) 0.10(4) Uiso 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'
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
O9 Sm1 O5 83.46(14) . .
O9 Sm1 O1 85.20(12) . .
O5 Sm1 O1 73.53(13) . .
O9 Sm1 O82 98.66(17) . .
O5 Sm1 O82 143.21(14) . .
O1 Sm1 O82 70.10(14) . .
O9 Sm1 O10 83.28(12) . 2_766
O5 Sm1 O10 69.18(12) . 2_766
O1 Sm1 O10 141.93(12) . 2_766
O82 Sm1 O10 147.60(14) . 2_766
O9 Sm1 O81 77.65(14) . .
O5 Sm1 O81 140.79(14) . .
O1 Sm1 O81 137.29(14) . .
O82 Sm1 O81 74.22(16) . .
O10 Sm1 O81 74.67(14) 2_766 .
O9 Sm1 O4 152.30(12) . 1_545
O5 Sm1 O4 116.42(13) . 1_545
O1 Sm1 O4 117.81(12) . 1_545
O82 Sm1 O4 77.19(17) . 1_545
O10 Sm1 O4 86.21(13) 2_766 1_545
O81 Sm1 O4 74.86(14) . 1_545
O9 Sm1 O3 156.15(11) . 1_545
O5 Sm1 O3 79.76(12) . 1_545
O1 Sm1 O3 73.88(11) . 1_545
O82 Sm1 O3 85.09(15) . 1_545
O10 Sm1 O3 106.12(11) 2_766 1_545
O81 Sm1 O3 125.70(13) . 1_545
O4 Sm1 O3 51.53(10) 1_545 1_545
O9 Sm1 C12 177.46(12) . 1_545
O5 Sm1 C12 98.55(13) . 1_545
O1 Sm1 C12 96.84(13) . 1_545
O82 Sm1 C12 80.68(16) . 1_545
O10 Sm1 C12 95.96(13) 2_766 1_545
O81 Sm1 C12 99.81(14) . 1_545
O4 Sm1 C12 25.17(11) 1_545 1_545
O3 Sm1 C12 26.37(11) 1_545 1_545
O9 Sm1 Sm2 121.63(9) . .
O5 Sm1 Sm2 64.90(8) . .
O1 Sm1 Sm2 40.60(8) . .
O82 Sm1 Sm2 83.63(11) . .
O10 Sm1 Sm2 122.97(9) 2_766 .
O81 Sm1 Sm2 153.01(11) . .
O4 Sm1 Sm2 85.47(8) 1_545 .
O3 Sm1 Sm2 35.01(7) 1_545 .
C12 Sm1 Sm2 60.80(9) 1_545 .
O7 Sm2 O11 97.33(13) 2_765 .
O7 Sm2 O6 85.51(12) 2_765 .
O11 Sm2 O6 147.74(12) . .
O7 Sm2 O8 99.94(12) 2_765 1_445
O11 Sm2 O8 71.07(12) . 1_445
O6 Sm2 O8 140.31(12) . 1_445
O7 Sm2 O83 77.65(12) 2_765 .
O11 Sm2 O83 139.91(13) . .
O6 Sm2 O83 72.18(12) . .
O8 Sm2 O83 70.77(12) 1_445 .
O7 Sm2 O3 159.34(12) 2_765 1_545
O11 Sm2 O3 102.27(12) . 1_545
O6 Sm2 O3 81.42(12) . 1_545
O8 Sm2 O3 80.55(11) 1_445 1_545
O83 Sm2 O3 83.13(12) . 1_545
O7 Sm2 O2 74.12(11) 2_765 .
O11 Sm2 O2 75.17(13) . .
O6 Sm2 O2 74.78(12) . .
O8 Sm2 O2 144.67(12) 1_445 .
O83 Sm2 O2 137.70(12) . .
O3 Sm2 O2 117.16(11) 1_545 .
O7 Sm2 O1 122.95(11) 2_765 .
O11 Sm2 O1 75.82(12) . .
O6 Sm2 O1 75.80(11) . .
O8 Sm2 O1 128.34(11) 1_445 .
O83 Sm2 O1 140.12(11) . .
O3 Sm2 O1 69.02(10) 1_545 .
O2 Sm2 O1 49.11(10) . .
O7 Sm2 Sm1 147.53(8) 2_765 .
O11 Sm2 Sm1 95.66(9) . .
O6 Sm2 Sm1 68.11(9) . .
O8 Sm2 Sm1 112.41(8) 1_445 .
O83 Sm2 Sm1 109.83(9) . .
O3 Sm2 Sm1 36.51(7) 1_545 .
O2 Sm2 Sm1 80.70(8) . .
O1 Sm2 Sm1 34.10(7) . .
C6 O1 Sm1 151.1(3) . .
C6 O1 Sm2 87.7(3) . .
Sm1 O1 Sm2 105.29(12) . .
C6 O2 Sm2 101.6(3) . .
C12 O3 Sm2 155.5(3) . 1_565
C12 O3 Sm1 90.9(3) . 1_565
Sm2 O3 Sm1 108.47(12) 1_565 1_565
C12 O4 Sm1 97.0(3) . 1_565
C18 O5 Sm1 143.3(3) . .
C18 O6 Sm2 136.0(3) . .
C24 O7 Sm2 160.7(3) . 2_765
C24 O8 Sm2 140.8(3) . 1_665
C30 O9 Sm1 136.7(3) . .
C30 O10 Sm1 133.0(3) . 2_766
C36 O11 Sm2 134.5(3) . .
C5 N1 C1 117.5(4) . .
C11 N2 C7 117.7(4) . .
C13 N11 C17 116.7(4) . .
C23 N12 C19 117.1(4) . .
C29 N21 C25 116.8(4) . .
C35 N31 C31 118.3(4) . .
N1 C1 C2 122.5(4) . .
N1 C1 C7 115.5(4) . .
C2 C1 C7 122.0(4) . .
C3 C2 C1 119.7(4) . .
C2 C3 C4 117.8(4) . .
C2 C3 C6 123.6(4) . .
C4 C3 C6 118.6(4) . .
C5 C4 C3 119.2(4) . .
N1 C5 C4 123.3(4) . .
O2 C6 O1 121.6(4) . .
O2 C6 C3 118.2(4) . .
O1 C6 C3 120.1(4) . .
N2 C7 C8 122.1(4) . .
N2 C7 C1 118.1(4) . .
C8 C7 C1 119.8(4) . .
C9 C8 C7 119.5(4) . .
C8 C9 C10 117.8(4) . .
C8 C9 C12 120.4(4) . .
C10 C9 C12 121.7(4) . .
C11 C10 C9 119.5(5) . .
N2 C11 C10 123.2(5) . .
O4 C12 O3 120.5(4) . .
O4 C12 C9 119.7(4) . .
O3 C12 C9 119.8(4) . .
O4 C12 Sm1 57.8(2) . 1_565
O3 C12 Sm1 62.7(2) . 1_565
C9 C12 Sm1 176.4(3) . 1_565
N11 C13 C14 122.3(4) . .
N11 C13 C19 116.9(4) . .
C14 C13 C19 120.7(4) . .
C15 C14 C13 120.4(5) . .
C16 C15 C14 117.6(4) . .
C16 C15 C18 122.1(4) . .
C14 C15 C18 120.3(4) . .
C17 C16 C15 119.2(4) . .
N11 C17 C16 123.8(5) . .
O6 C18 O5 124.6(4) . .
O6 C18 C15 118.5(4) . .
O5 C18 C15 116.9(4) . .
N12 C19 C20 122.9(4) . .
N12 C19 C13 115.8(4) . .
C20 C19 C13 121.2(4) . .
C21 C20 C19 118.7(4) . .
C22 C21 C20 118.6(4) . .
C22 C21 C24 119.7(4) . .
C20 C21 C24 121.7(4) . .
C23 C22 C21 118.6(5) . .
N12 C23 C22 124.0(5) . .
O8 C24 O7 125.1(4) . .
O8 C24 C21 116.6(4) . .
O7 C24 C21 118.2(4) . .
N21 C25 C26 122.3(5) . .
N21 C25 C25 116.1(5) . 2_776
C26 C25 C25 121.6(6) . 2_776
C25 C26 C27 119.4(5) . .
C28 C27 C26 118.3(5) . .
C28 C27 C30 122.0(4) . .
C26 C27 C30 119.6(5) . .
C29 C28 C27 118.9(5) . .
N21 C29 C28 124.1(6) . .
O9 C30 O10 124.5(4) . .
O9 C30 C27 118.3(4) . .
O10 C30 C27 117.2(4) . .
N31 C31 C32 121.0(4) . .
N31 C31 C31 116.6(5) . 2
C32 C31 C31 122.4(5) . 2
C33 C32 C31 120.3(5) . .
C32 C33 C34 118.1(5) . .
C32 C33 C36 122.0(5) . .
C34 C33 C36 119.9(4) . .
C35 C34 C33 118.6(5) . .
N31 C35 C34 123.6(5) . .
O12 C36 O11 125.3(5) . .
O12 C36 C33 117.3(5) . .
O11 C36 C33 117.3(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O9 2.327(3) .
Sm1 O5 2.350(4) .
Sm1 O1 2.381(3) .
Sm1 O82 2.395(5) .
Sm1 O10 2.405(3) 2_766
Sm1 O81 2.462(4) .
Sm1 O4 2.465(3) 1_545
Sm1 O3 2.570(3) 1_545
Sm1 C12 2.891(5) 1_545
Sm1 Sm2 4.0962(18) .
Sm2 O7 2.294(3) 2_765
Sm2 O11 2.343(3) .
Sm2 O6 2.361(3) .
Sm2 O8 2.377(3) 1_445
Sm2 O83 2.471(4) .
Sm2 O3 2.478(3) 1_545
Sm2 O2 2.483(3) .
Sm2 O1 2.764(3) .
O1 C6 1.268(6) .
O2 C6 1.247(6) .
O3 C12 1.284(5) .
O3 Sm2 2.478(3) 1_565
O3 Sm1 2.570(3) 1_565
O4 C12 1.239(5) .
O4 Sm1 2.465(3) 1_565
O5 C18 1.257(6) .
O6 C18 1.253(5) .
O7 C24 1.251(5) .
O7 Sm2 2.294(3) 2_765
O8 C24 1.247(5) .
O8 Sm2 2.377(3) 1_665
O9 C30 1.253(6) .
O10 C30 1.264(6) .
O10 Sm1 2.405(3) 2_766
O11 C36 1.254(6) .
O12 C36 1.238(7) .
N1 C5 1.339(6) .
N1 C1 1.350(6) .
N2 C11 1.335(7) .
N2 C7 1.335(6) .
N11 C13 1.341(6) .
N11 C17 1.348(6) .
N12 C23 1.334(7) .
N12 C19 1.346(6) .
N21 C29 1.335(7) .
N21 C25 1.347(7) .
N31 C35 1.341(6) .
N31 C31 1.348(6) .
C1 C2 1.392(6) .
C1 C7 1.498(6) .
C2 C3 1.383(6) .
C3 C4 1.394(7) .
C3 C6 1.506(6) .
C4 C5 1.387(7) .
C7 C8 1.396(6) .
C8 C9 1.375(7) .
C9 C10 1.380(7) .
C9 C12 1.494(6) .
C10 C11 1.374(8) .
C12 Sm1 2.891(5) 1_565
C13 C14 1.384(7) .
C13 C19 1.496(6) .
C14 C15 1.379(6) .
C15 C16 1.378(7) .
C15 C18 1.489(6) .
C16 C17 1.376(7) .
C19 C20 1.396(6) .
C20 C21 1.389(6) .
C21 C22 1.385(7) .
C21 C24 1.517(6) .
C22 C23 1.383(7) .
C25 C26 1.375(7) .
C25 C25 1.482(9) 2_776
C26 C27 1.381(7) .
C27 C28 1.370(7) .
C27 C30 1.492(6) .
C28 C29 1.361(8) .
C31 C32 1.402(7) .
C31 C31 1.492(9) 2
C32 C33 1.381(7) .
C33 C34 1.391(7) .
C33 C36 1.515(7) .
C34 C35 1.384(7) .
