#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/18/7031861.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_7031861
loop_
_publ_author_name
'Liao, Wei-Ming'
'Shi, Hua-Tian'
'Shi, Xu-Hua'
'Yin, Ye-Gao'
_publ_section_title
;
 Pyrolytic cavitation, selective adsorption and molecular recognition of a
 porous Eu(iii) MOF.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15305
_journal_page_last               15307
_journal_paper_doi               10.1039/c4dt01434k
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C25 H13 Sm2 O14, C2 H8 N'
_chemical_formula_sum            'C27 H21 N O14 Sm2'
_chemical_formula_weight         884.17
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_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                98.993(3)
_cell_angle_beta                 97.112(2)
_cell_angle_gamma                100.424(3)
_cell_formula_units_Z            2
_cell_length_a                   8.3911(2)
_cell_length_b                   10.5518(3)
_cell_length_c                   17.4632(5)
_cell_measurement_reflns_used    8909
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3370
_cell_measurement_theta_min      2.9430
_cell_volume                     1483.48(7)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'XP, Ver. 6.10, Bruker AXS Inc., 2000.'
_computing_publication_material  'SHELXTL-Bruker AXS Inc., 1998.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       '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  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0331
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13786
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.82
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.990
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63995
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.437
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         5219
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0206
_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)+(0.0160P)²+0.3593P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0428
_refine_ls_wR_factor_ref         0.0448
_reflns_number_gt                4598
_reflns_number_total             5226
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01434k2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7031860--7031861.cif.
;
_cod_original_formula_sum        'C27 H21 Sm2 N O14'
_cod_database_code               7031861
#BEGIN Tags that were not found in dictionaries:
_exptl_crystal_f_000'            851.78
#END Tags that were not found in dictionaries
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 0.521363(19) 0.137859(16) 0.296433(9) 0.01731(6) Uani 1 1 d .
Sm2 Sm 1.034631(18) 0.190852(15) 0.237465(8) 0.01522(5) Uani 1 1 d .
C1 C 1.0259(4) 0.4417(3) 0.19563(19) 0.0227(7) Uani 1 1 d .
C2 C 1.0276(4) 0.5714(3) 0.1714(2) 0.0257(8) Uani 1 1 d .
C3 C 1.1226(4) 0.6848(3) 0.21756(19) 0.0235(7) Uani 1 1 d .
H13 H 1.1840 0.6803 0.2648 0.028 Uiso 1 1 calc R
C4 C 1.1277(4) 0.8055(3) 0.19442(18) 0.0208(7) Uani 1 1 d .
C5 C 1.0347(4) 0.8113(3) 0.1243(2) 0.0316(9) Uani 1 1 d .
H11 H 1.0354 0.8918 0.1088 0.038 Uiso 1 1 calc R
C6 C 0.9403(5) 0.6978(4) 0.0769(2) 0.0403(10) Uani 1 1 d .
H10 H 0.8798 0.7021 0.0294 0.048 Uiso 1 1 calc R
C7 C 0.9366(4) 0.5786(4) 0.1008(2) 0.0347(9) Uani 1 1 d .
H12 H 0.8728 0.5027 0.0693 0.042 Uiso 1 1 calc R
C8 C 1.2413(4) 0.9227(3) 0.24236(19) 0.0220(7) Uani 1 1 d .
C9 C 0.8391(4) 0.0017(3) 0.35876(18) 0.0218(7) Uani 1 1 d .
C10 C 0.8725(4) -0.0939(3) 0.41111(17) 0.0204(7) Uani 1 1 d .
C11 C 0.9980(4) -0.1622(4) 0.4022(2) 0.0333(9) Uani 1 1 d .
H21 H 1.0618 -0.1498 0.3630 0.040 Uiso 1 1 calc R
C12 C 1.0278(5) -0.2482(4) 0.4512(2) 0.0453(11) Uani 1 1 d .
H18 H 1.1101 -0.2953 0.4440 0.054 Uiso 1 1 calc R
C13 C 0.9373(5) -0.2656(4) 0.5110(2) 0.0337(9) Uani 1 1 d .
H19 H 0.9595 -0.3231 0.5443 0.040 Uiso 1 1 calc R
C14 C 0.8128(4) -0.1967(3) 0.52119(18) 0.0225(7) Uani 1 1 d .
C15 C 0.7802(4) -0.1129(3) 0.47042(17) 0.0207(7) Uani 1 1 d .
H20 H 0.6949 -0.0686 0.4762 0.025 Uiso 1 1 calc R
C16 C 0.7187(5) -0.2090(3) 0.58747(19) 0.0280(8) Uani 1 1 d .
C17 C 0.6883(4) -0.0001(3) 0.13666(18) 0.0228(7) Uani 1 1 d .
C18 C 0.5984(4) -0.0941(3) 0.06496(18) 0.0214(7) Uani 1 1 d .
C19 C 0.4344(4) -0.1515(4) 0.0626(2) 0.0360(9) Uani 1 1 d .
H15 H 0.3837 -0.1341 0.1064 0.043 Uiso 1 1 calc R
C20 C 0.3469(4) -0.2336(4) -0.0039(2) 0.0425(10) Uani 1 1 d .
H14 H 0.2378 -0.2724 -0.0048 0.051 Uiso 1 1 calc R
C21 C 0.4204(4) -0.2588(4) -0.0697(2) 0.0319(9) Uani 1 1 d .
H16 H 0.3598 -0.3126 -0.1151 0.038 Uiso 1 1 calc R
C22 C 0.5836(4) -0.2045(3) -0.06822(17) 0.0199(7) Uani 1 1 d .
C23 C 0.6726(4) -0.1210(3) -0.00053(17) 0.0196(7) Uani 1 1 d .
H17 H 0.7822 -0.0832 0.0005 0.023 Uiso 1 1 calc R
C24 C 0.6606(4) -0.2295(3) -0.14022(18) 0.0202(7) Uani 1 1 d .
C25 C 0.7858(4) 0.3723(4) 0.3378(2) 0.0316(9) Uani 1 1 d .
H9 H 0.8669 0.4482 0.3512 0.038 Uiso 1 1 calc R
C26 C 1.5384(8) 0.6154(7) 0.2625(6) 0.158(4) Uani 1 1 d .
H3 H 1.5134 0.5684 0.2093 0.236 Uiso 1 1 calc R
H2 H 1.6536 0.6266 0.2809 0.236 Uiso 1 1 calc R
H7 H 1.5097 0.6998 0.2646 0.236 Uiso 1 1 calc R
C27 C 1.4395(9) 0.6129(7) 0.3928(5) 0.155(4) Uani 1 1 d .
H6 H 1.3878 0.6861 0.3889 0.232 Uiso 1 1 calc R
H5 H 1.5490 0.6435 0.4209 0.232 Uiso 1 1 calc R
H4 H 1.3777 0.5541 0.4203 0.232 Uiso 1 1 calc R
N15 N 1.4456(5) 0.5421(4) 0.3119(3) 0.0892(17) Uani 1 1 d .
H8 H 1.4881 0.4708 0.3168 0.107 Uiso 1 1 calc R
H1 H 1.3419 0.5137 0.2867 0.107 Uiso 1 1 calc R
O1 O 1.1248(3) 0.4349(2) 0.25617(13) 0.0282(5) Uani 1 1 d .
O2 O 0.9286(3) 0.3426(2) 0.15765(13) 0.0288(6) Uani 1 1 d .
O3 O 1.3586(3) 0.9101(2) 0.29022(14) 0.0338(6) Uani 1 1 d .
O4 O 1.2254(3) 1.0374(2) 0.23106(13) 0.0253(5) Uani 1 1 d .
O5 O 0.8376(3) 0.0455(2) 0.14082(13) 0.0273(5) Uani 1 1 d .
O6 O 0.6047(3) 0.0289(3) 0.18983(13) 0.0346(6) Uani 1 1 d .
O7 O 0.8135(3) -0.2125(2) -0.13194(13) 0.0301(6) Uani 1 1 d .
O8 O 0.5674(3) -0.2675(2) -0.20657(12) 0.0249(5) Uani 1 1 d .
O9 O 0.7100(3) 0.0457(2) 0.36471(13) 0.0314(6) Uani 1 1 d .
O10 O 0.9389(3) 0.0311(2) 0.31374(13) 0.0276(5) Uani 1 1 d .
O11 O 0.5898(3) -0.1650(3) 0.58519(14) 0.0408(7) Uani 1 1 d .
O12 O 0.7721(3) -0.2606(3) 0.64359(13) 0.0396(7) Uani 1 1 d .
O13 O 0.8169(3) 0.2739(2) 0.29827(14) 0.0316(6) Uani 1 1 d .
O14 O 0.6514(3) 0.3740(2) 0.36017(14) 0.0355(6) 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'
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'
N N 0.0061 0.0033 '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
O6 Sm1 O9 82.92(8) . .
O6 Sm1 O11 157.43(9) . 2_656
O9 Sm1 O11 85.19(9) . 2_656
O6 Sm1 O8 83.86(8) . 2_655
O9 Sm1 O8 155.32(8) . 2_655
O11 Sm1 O8 113.58(8) 2_656 2_655
O6 Sm1 O3 79.95(9) . 1_445
O9 Sm1 O3 78.61(8) . 1_445
O11 Sm1 O3 78.94(9) 2_656 1_445
O8 Sm1 O3 119.30(8) 2_655 1_445
O6 Sm1 O14 123.15(9) . .
O9 Sm1 O14 95.52(9) . .
O11 Sm1 O14 77.02(9) 2_656 .
O8 Sm1 O14 74.63(8) 2_655 .
O3 Sm1 O14 155.65(8) 1_445 .
O6 Sm1 O4 87.67(8) . 1_445
O9 Sm1 O4 129.75(8) . 1_445
O11 Sm1 O4 85.28(9) 2_656 1_445
O8 Sm1 O4 70.22(7) 2_655 1_445
O3 Sm1 O4 51.14(7) 1_445 1_445
O14 Sm1 O4 129.70(7) . 1_445
O6 Sm1 O13 76.98(8) . .
O9 Sm1 O13 71.14(8) . .
O11 Sm1 O13 116.94(9) 2_656 .
O8 Sm1 O13 85.62(8) 2_655 .
O3 Sm1 O13 143.75(7) 1_445 .
O14 Sm1 O13 49.88(7) . .
O4 Sm1 O13 152.70(7) 1_445 .
O6 Sm1 C8 79.29(9) . 1_445
O9 Sm1 C8 103.73(9) . 1_445
O11 Sm1 C8 85.02(9) 2_656 1_445
O8 Sm1 C8 94.13(9) 2_655 1_445
O3 Sm1 C8 25.43(8) 1_445 1_445
O14 Sm1 C8 152.42(8) . 1_445
O4 Sm1 C8 26.24(8) 1_445 1_445
O13 Sm1 C8 156.16(8) . 1_445
O6 Sm1 C25 100.22(10) . .
O9 Sm1 C25 82.98(9) . .
O11 Sm1 C25 97.28(10) 2_656 .
O8 Sm1 C25 78.98(9) 2_655 .
O3 Sm1 C25 161.44(9) 1_445 .
O14 Sm1 C25 24.87(8) . .
O4 Sm1 C25 147.21(8) 1_445 .
O13 Sm1 C25 25.01(8) . .
C8 Sm1 C25 173.10(9) 1_445 .
O5 Sm2 O7 84.04(8) . 2_755
O5 Sm2 O10 80.61(8) . .
O7 Sm2 O10 139.93(8) 2_755 .
O5 Sm2 O12 157.22(8) . 2_756
O7 Sm2 O12 106.78(8) 2_755 2_756
O10 Sm2 O12 78.36(8) . 2_756
O5 Sm2 O13 90.39(8) . .
O7 Sm2 O13 141.68(8) 2_755 .
O10 Sm2 O13 75.40(7) . .
O12 Sm2 O13 92.70(9) 2_756 .
O5 Sm2 O4 91.54(8) . 1_545
O7 Sm2 O4 69.11(7) 2_755 1_545
O10 Sm2 O4 74.54(7) . 1_545
O12 Sm2 O4 74.51(9) 2_756 1_545
O13 Sm2 O4 149.12(7) . 1_545
O5 Sm2 O2 78.00(8) . .
O7 Sm2 O2 70.35(8) 2_755 .
O10 Sm2 O2 140.02(8) . .
O12 Sm2 O2 124.28(8) 2_756 .
O13 Sm2 O2 71.41(8) . .
O4 Sm2 O2 138.93(7) 1_545 .
O5 Sm2 O1 130.07(7) . .
O7 Sm2 O1 78.64(8) 2_755 .
O10 Sm2 O1 137.84(8) . .
O12 Sm2 O1 72.45(8) 2_756 .
O13 Sm2 O1 76.29(8) . .
O4 Sm2 O1 123.76(7) 1_545 .
O2 Sm2 O1 52.09(7) . .
O5 Sm2 C1 103.54(9) . .
O7 Sm2 C1 71.75(8) 2_755 .
O10 Sm2 C1 147.97(8) . .
O12 Sm2 C1 98.93(9) 2_756 .
O13 Sm2 C1 72.85(8) . .
O4 Sm2 C1 136.07(8) 1_545 .
O2 Sm2 C1 25.60(8) . .
O1 Sm2 C1 26.52(8) . .
O2 C1 O1 120.9(3) . .
O2 C1 C2 120.0(3) . .
O1 C1 C2 119.1(3) . .
O2 C1 Sm2 60.11(16) . .
O1 C1 Sm2 60.91(16) . .
C2 C1 Sm2 177.2(2) . .
C3 C2 C7 119.2(3) . .
C3 C2 C1 120.8(3) . .
C7 C2 C1 119.9(3) . .
C2 C3 C4 121.1(3) . .
C5 C4 C3 119.0(3) . .
C5 C4 C8 121.7(3) . .
C3 C4 C8 119.2(3) . .
C4 C5 C6 120.5(3) . .
C7 C6 C5 119.7(3) . .
C6 C7 C2 120.4(3) . .
O3 C8 O4 119.9(3) . .
O3 C8 C4 120.2(3) . .
O4 C8 C4 119.7(3) . .
O3 C8 Sm1 59.93(17) . 1_665
O4 C8 Sm1 61.95(17) . 1_665
C4 C8 Sm1 162.1(2) . 1_665
O10 C9 O9 125.6(3) . .
O10 C9 C10 118.5(3) . .
O9 C9 C10 115.9(3) . .
C15 C10 C11 118.9(3) . .
C15 C10 C9 120.1(3) . .
C11 C10 C9 120.9(3) . .
C12 C11 C10 120.1(3) . .
C11 C12 C13 120.9(3) . .
C12 C13 C14 119.6(3) . .
C15 C14 C13 119.3(3) . .
C15 C14 C16 120.0(3) . .
C13 C14 C16 120.6(3) . .
C14 C15 C10 121.1(3) . .
O11 C16 O12 122.9(3) . .
O11 C16 C14 117.3(3) . .
O12 C16 C14 119.7(3) . .
O5 C17 O6 124.1(3) . .
O5 C17 C18 119.5(3) . .
O6 C17 C18 116.4(3) . .
C23 C18 C19 119.2(3) . .
C23 C18 C17 121.3(3) . .
C19 C18 C17 119.4(3) . .
C20 C19 C18 120.5(3) . .
C19 C20 C21 120.2(3) . .
C22 C21 C20 120.3(3) . .
C21 C22 C23 119.5(3) . .
C21 C22 C24 119.8(3) . .
C23 C22 C24 120.6(3) . .
C18 C23 C22 120.2(3) . .
O7 C24 O8 123.7(3) . .
O7 C24 C22 117.8(3) . .
O8 C24 C22 118.6(3) . .
O14 C25 O13 123.0(3) . .
O14 C25 Sm1 59.70(18) . .
O13 C25 Sm1 63.33(19) . .
C26 N15 C27 117.0(6) . .
C1 O1 Sm2 92.57(19) . .
C1 O2 Sm2 94.29(19) . .
C8 O3 Sm1 94.64(19) . 1_665
C8 O4 Sm2 142.9(2) . 1_565
C8 O4 Sm1 91.81(19) . 1_665
Sm2 O4 Sm1 114.88(9) 1_565 1_665
C17 O5 Sm2 133.6(2) . .
C17 O6 Sm1 161.7(2) . .
C24 O7 Sm2 123.21(19) . 2_755
C24 O8 Sm1 128.4(2) . 2_655
C9 O9 Sm1 142.0(2) . .
C9 O10 Sm2 144.3(2) . .
C16 O11 Sm1 116.4(2) . 2_656
C16 O12 Sm2 136.8(2) . 2_756
C25 O13 Sm2 143.0(2) . .
C25 O13 Sm1 91.7(2) . .
Sm2 O13 Sm1 125.34(10) . .
C25 O14 Sm1 95.4(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O6 2.285(2) .
Sm1 O9 2.308(2) .
Sm1 O11 2.369(2) 2_656
Sm1 O8 2.375(2) 2_655
Sm1 O3 2.519(2) 1_445
Sm1 O14 2.547(2) .
Sm1 O4 2.562(2) 1_445
Sm1 O13 2.625(2) .
Sm1 C8 2.901(3) 1_445
Sm1 C25 2.936(4) .
Sm2 O5 2.349(2) .
Sm2 O7 2.383(2) 2_755
Sm2 O10 2.395(2) .
Sm2 O12 2.396(2) 2_756
Sm2 O13 2.450(2) .
Sm2 O4 2.474(2) 1_545
Sm2 O2 2.491(2) .
Sm2 O1 2.506(2) .
Sm2 C1 2.865(3) .
C1 O2 1.241(4) .
C1 O1 1.281(4) .
C1 C2 1.492(5) .
C2 C3 1.382(5) .
C2 C7 1.388(5) .
C3 C4 1.390(4) .
C4 C5 1.384(5) .
C4 C8 1.480(5) .
C5 C6 1.389(5) .
C6 C7 1.383(5) .
C8 O3 1.250(4) .
C8 O4 1.283(4) .
C8 Sm1 2.901(3) 1_665
C9 O10 1.249(4) .
C9 O9 1.263(4) .
C9 C10 1.502(4) .
C10 C15 1.386(4) .
C10 C11 1.391(4) .
C11 C12 1.375(5) .
C12 C13 1.381(5) .
C13 C14 1.390(5) .
C14 C15 1.384(4) .
C14 C16 1.488(4) .
C16 O11 1.251(4) .
C16 O12 1.266(4) .
C17 O5 1.247(4) .
C17 O6 1.264(4) .
C17 C18 1.493(5) .
C18 C23 1.384(4) .
C18 C19 1.393(5) .
C19 C20 1.372(5) .
C20 C21 1.382(5) .
C21 C22 1.381(5) .
C22 C23 1.396(4) .
C22 C24 1.492(4) .
C24 O7 1.250(4) .
C24 O8 1.277(4) .
C25 O14 1.241(4) .
C25 O13 1.242(4) .
C26 N15 1.451(8) .
C27 N15 1.503(8) .
O3 Sm1 2.519(2) 1_665
O4 Sm2 2.474(2) 1_565
O4 Sm1 2.562(2) 1_665
O7 Sm2 2.383(2) 2_755
O8 Sm1 2.375(2) 2_655
O11 Sm1 2.369(2) 2_656
O12 Sm2 2.396(2) 2_756
