#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:37:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180047 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/41/7034132.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_7034132
loop_
_publ_author_name
'Sobieray, Miriam'
'Gode, Jens'
'Seidel, Christiane'
'Poß, Marieke'
'Feldmann, Claus'
'Ruschewitz, Uwe'
_publ_section_title
;
 Bright luminescence in lanthanide coordination polymers with
 tetrafluoroterephthalate as a bridging ligand.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6249
_journal_page_last               6259
_journal_paper_doi               10.1039/c4dt03733b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C16 H21 F4 N6 O12 Sm'
_chemical_formula_weight         715.74
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-09-19 deposited with the CCDC.
2015-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                101.818(9)
_cell_angle_beta                 104.289(9)
_cell_angle_gamma                101.705(9)
_cell_formula_units_Z            2
_cell_length_a                   10.9816(13)
_cell_length_b                   11.1645(13)
_cell_length_c                   11.5291(12)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      59.53
_cell_measurement_theta_min      2.29
_cell_volume                     1292.0(3)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0876
_diffrn_reflns_av_unetI/netI     0.0727
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            25552
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.531
_diffrn_reflns_theta_min         1.892
_exptl_absorpt_coefficient_mu    2.370
_exptl_absorpt_correction_T_max  0.7110
_exptl_absorpt_correction_T_min  0.6433
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'STOE XRed, XShape'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.840
_exptl_crystal_description       block
_exptl_crystal_F_000             706
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: formamide'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.020
_refine_diff_density_min         -2.065
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         7176
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0163P)²+2.8733P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0863
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5383
_reflns_number_total             7176
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4dt03733b2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 7034127--7034136.cif.'
_cod_database_code               7034132
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Sm1 Sm 0.11101(3) 0.37395(3) 0.50180(2) 0.02401(7) Uani 1 1 d . .
F7 F 0.3124(4) 0.2838(4) 0.9600(3) 0.0590(10) Uani 1 1 d . .
C4 C -0.1095(5) 0.4630(6) 0.0332(5) 0.0390(12) Uani 1 1 d . .
O12B O -0.1226(3) 0.4045(3) 0.4383(3) 0.0322(7) Uani 1 1 d . .
F8 F 0.5569(4) 0.5807(4) 0.8080(3) 0.0556(9) Uani 1 1 d . .
F4 F -0.2195(3) 0.4212(4) 0.0614(3) 0.0672(12) Uani 1 1 d . .
O9 O 0.0637(4) 0.1726(3) 0.5584(3) 0.0437(9) Uani 1 1 d . .
O1 O 0.0686(3) 0.4322(3) 0.3022(3) 0.0330(7) Uani 1 1 d . .
O11 O 0.3225(3) 0.4838(3) 0.4759(3) 0.0386(8) Uani 1 1 d . .
O5A O 0.2918(4) 0.3993(4) 0.6755(3) 0.0453(9) Uani 1 1 d . .
O12A O -0.0990(4) 0.2228(3) 0.3487(3) 0.0411(9) Uani 1 1 d . .
O10 O 0.1753(4) 0.2177(4) 0.3647(4) 0.0441(9) Uani 1 1 d . .
F3 F 0.2353(3) 0.5891(5) 0.1752(3) 0.0727(13) Uani 1 1 d . .
O2 O 0.0322(4) 0.4124(4) 0.6853(3) 0.0438(9) Uani 1 1 d . .
C1 C 0.0157(5) 0.5109(4) 0.2599(4) 0.0276(9) Uani 1 1 d . .
O5B O 0.3727(4) 0.2396(4) 0.7151(4) 0.0545(11) Uani 1 1 d . .
C14 C 0.0052(8) 0.8263(7) 0.9943(7) 0.070(2) Uani 1 1 d . .
H14 H -0.0769 0.7688 0.9621 0.084 Uiso 1 1 calc R U
C2 C 0.0079(5) 0.5074(5) 0.1259(4) 0.0301(10) Uani 1 1 d . .
O15 O 0.3556(6) 0.9789(6) 0.0450(6) 0.092(2) Uani 1 1 d . .
C6 C 0.4314(5) 0.4268(5) 0.8757(4) 0.0355(11) Uani 1 1 d . .
C3 C 0.1171(5) 0.5438(6) 0.0897(4) 0.0394(12) Uani 1 1 d . .
N11 N 0.4619(4) 0.6381(5) 0.4379(5) 0.0463(11) Uani 1 1 d . .
H3A H 0.5254 0.6039 0.4535 0.056 Uiso 1 1 calc R U
H3B H 0.4730 0.7081 0.4167 0.056 Uiso 1 1 calc R U
C7 C 0.4067(5) 0.3907(5) 0.9781(5) 0.0398(12) Uani 1 1 d . .
C12 C -0.1686(5) 0.2970(5) 0.3583(4) 0.0316(10) Uani 1 1 d . .
N9 N 0.0488(6) 0.0417(5) 0.6829(5) 0.0575(14) Uani 1 1 d . .
H1A H 0.0352 -0.0251 0.6237 0.069 Uiso 1 1 calc R U
H1B H 0.0514 0.0351 0.7564 0.069 Uiso 1 1 calc R U
N16 N 0.3047(14) 0.0113(9) 0.5107(9) 0.164(5) Uani 1 1 d . .
H40A H 0.3758 0.0545 0.5677 0.197 Uiso 1 1 calc R U
H40B H 0.2337 0.0334 0.5084 0.197 Uiso 1 1 calc R U
C10 C 0.2506(7) 0.2170(7) 0.3016(6) 0.0550(16) Uani 1 1 d . .
H10 H 0.3156 0.2917 0.3187 0.066 Uiso 1 1 calc R U
C8 C 0.5261(5) 0.5394(5) 0.9028(5) 0.0374(11) Uani 1 1 d . .
C5 C 0.3585(5) 0.3472(5) 0.7442(5) 0.0362(11) Uani 1 1 d . .
N14 N 0.0767(7) 0.8371(6) 0.9201(5) 0.0755(19) Uani 1 1 d . .
H12A H 0.1530 0.8895 0.9471 0.091 Uiso 1 1 calc R U
H12B H 0.0475 0.7919 0.8441 0.091 Uiso 1 1 calc R U
C9 C 0.0655(5) 0.1525(5) 0.6611(5) 0.0388(12) Uani 1 1 d . .
H9 H 0.0799 0.2224 0.7275 0.047 Uiso 1 1 calc R U
O14 O 0.0383(7) 0.8857(6) 1.1013(5) 0.0950(19) Uani 1 1 d . .
C11 C 0.3487(5) 0.5838(5) 0.4464(4) 0.0345(11) Uani 1 1 d . .
H11 H 0.2824 0.6237 0.4288 0.041 Uiso 1 1 calc R U
N10 N 0.2484(7) 0.1246(7) 0.2154(6) 0.0793(19) Uani 1 1 d . .
H2A H 0.1900 0.0537 0.1964 0.095 Uiso 1 1 calc R U
H2B H 0.3054 0.1328 0.1760 0.095 Uiso 1 1 calc R U
C13 C -0.3074(6) 0.2618(6) 0.2752(6) 0.0558(16) Uani 1 1 d . .
H13A H -0.3461 0.3300 0.2953 0.084 Uiso 1 1 calc R U
H13B H -0.3563 0.1863 0.2875 0.084 Uiso 1 1 calc R U
H13C H -0.3081 0.2467 0.1900 0.084 Uiso 1 1 calc R U
N15 N 0.5178(7) 0.8975(7) 0.1147(6) 0.083(2) Uani 1 1 d . .
H9A H 0.5647 0.9304 0.0737 0.099 Uiso 1 1 calc R U
H9B H 0.5464 0.8517 0.1611 0.099 Uiso 1 1 calc R U
O16 O 0.3628(8) -0.1393(7) 0.4014(9) 0.133(3) Uani 1 1 d . .
C16 C 0.3044(16) -0.0756(14) 0.4377(16) 0.146(6) Uani 1 1 d . .
H039 H 0.2192 -0.1082 0.3854 0.175 Uiso 1 1 calc R U
C15 C 0.4087(10) 0.9160(9) 0.1071(9) 0.087(3) Uani 1 1 d . .
H044 H 0.3621 0.8782 0.1534 0.105 Uiso 1 1 calc R U
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'
F F 0.0171 0.0103 '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
O5A Sm1 O12B 91.24(12) . 2_566
O5A Sm1 O10 93.59(14) . .
O12B Sm1 O10 142.61(12) 2_566 .
O5A Sm1 O9 76.15(13) . .
O12B Sm1 O9 144.61(12) 2_566 .
O10 Sm1 O9 72.06(13) . .
O5A Sm1 O2 74.04(13) . .
O12B Sm1 O2 72.44(12) 2_566 .
O10 Sm1 O2 144.14(12) . .
O9 Sm1 O2 72.31(12) . .
O5A Sm1 O1 137.95(13) . .
O12B Sm1 O1 76.34(11) 2_566 .
O10 Sm1 O1 75.40(12) . .
O9 Sm1 O1 134.00(12) . .
O2 Sm1 O1 135.46(11) . .
O5A Sm1 O11 67.85(13) . .
O12B Sm1 O11 75.42(12) 2_566 .
O10 Sm1 O11 72.28(13) . .
O9 Sm1 O11 126.58(13) . .
O2 Sm1 O11 128.76(13) . .
O1 Sm1 O11 70.15(11) . .
O5A Sm1 O12A 145.72(12) . .
O12B Sm1 O12A 118.47(11) 2_566 .
O10 Sm1 O12A 73.53(13) . .
O9 Sm1 O12A 69.70(12) . .
O2 Sm1 O12A 97.71(14) . .
O1 Sm1 O12A 70.47(12) . .
O11 Sm1 O12A 132.81(12) . .
O5A Sm1 O12B 143.08(12) . .
O12B Sm1 O12B 70.57(12) 2_566 .
O10 Sm1 O12B 120.58(12) . .
O9 Sm1 O12B 99.98(12) . .
O2 Sm1 O12B 69.94(11) . .
O1 Sm1 O12B 70.15(11) . .
O11 Sm1 O12B 132.38(11) . .
O12A Sm1 O12B 50.04(11) . .
O5A Sm1 C12 155.12(13) . .
O12B Sm1 C12 94.55(12) 2_566 .
O10 Sm1 C12 96.34(14) . .
O9 Sm1 C12 85.31(13) . .
O2 Sm1 C12 84.70(13) . .
O1 Sm1 C12 66.85(12) . .
O11 Sm1 C12 136.99(12) . .
O12A Sm1 C12 24.67(12) . .
O12B Sm1 C12 25.43(12) . .
O5A Sm1 Sm1 121.49(10) . 2_566
O12B Sm1 Sm1 36.95(8) 2_566 2_566
O10 Sm1 Sm1 142.26(9) . 2_566
O9 Sm1 Sm1 126.09(10) . 2_566
O2 Sm1 Sm1 66.69(8) . 2_566
O1 Sm1 Sm1 69.20(8) . 2_566
O11 Sm1 Sm1 106.37(8) . 2_566
O12A Sm1 Sm1 82.56(8) . 2_566
O12B Sm1 Sm1 33.62(7) . 2_566
C12 Sm1 Sm1 58.05(10) . 2_566
F4 C4 C2 119.6(4) . .
F4 C4 C3 118.8(5) . 2_565
C2 C4 C3 121.6(5) . 2_565
C12 O12B Sm1 149.8(3) . 2_566
C12 O12B Sm1 93.1(3) . .
Sm1 O12B Sm1 109.43(12) 2_566 .
C9 O9 Sm1 130.2(3) . .
C1 O1 Sm1 135.2(3) . .
C11 O11 Sm1 128.0(3) . .
C5 O5A Sm1 147.6(4) . .
C12 O12A Sm1 96.6(3) . .
C10 O10 Sm1 138.0(4) . .
C1 O2 Sm1 139.8(3) 2_566 .
O2 C1 O1 127.2(4) 2_566 .
O2 C1 C2 117.3(4) 2_566 .
O1 C1 C2 115.5(4) . .
O14 C14 N14 124.3(8) . .
O14 C14 H14 117.8 . .
N14 C14 H14 117.8 . .
C4 C2 C3 116.5(4) . .
C4 C2 C1 121.2(4) . .
C3 C2 C1 122.3(4) . .
C8 C6 C7 115.5(5) . .
C8 C6 C5 122.8(5) . .
C7 C6 C5 121.7(5) . .
F3 C3 C2 119.9(4) . .
F3 C3 C4 118.2(5) . 2_565
C2 C3 C4 121.9(5) . 2_565
C11 N11 H3A 120.0 . .
C11 N11 H3B 120.0 . .
H3A N11 H3B 120.0 . .
F7 C7 C8 118.5(5) . 2_667
F7 C7 C6 119.4(5) . .
C8 C7 C6 122.1(5) 2_667 .
O12A C12 O12B 119.9(4) . .
O12A C12 C13 120.9(5) . .
O12B C12 C13 119.2(5) . .
O12A C12 Sm1 58.7(3) . .
O12B C12 Sm1 61.4(2) . .
C13 C12 Sm1 174.5(4) . .
C9 N9 H1A 120.0 . .
C9 N9 H1B 120.0 . .
H1A N9 H1B 120.0 . .
C16 N16 H40A 120.0 . .
C16 N16 H40B 120.0 . .
H40A N16 H40B 120.0 . .
O10 C10 N10 126.5(7) . .
O10 C10 H10 116.8 . .
N10 C10 H10 116.8 . .
F8 C8 C7 118.4(5) . 2_667
F8 C8 C6 119.1(5) . .
C7 C8 C6 122.4(5) 2_667 .
O5B C5 O5A 126.9(5) . .
O5B C5 C6 116.9(4) . .
O5A C5 C6 116.2(5) . .
C14 N14 H12A 120.0 . .
C14 N14 H12B 120.0 . .
H12A N14 H12B 120.0 . .
O9 C9 N9 125.2(5) . .
O9 C9 H9 117.4 . .
N9 C9 H9 117.4 . .
O11 C11 N11 125.2(5) . .
O11 C11 H11 117.4 . .
N11 C11 H11 117.4 . .
C10 N10 H2A 120.0 . .
C10 N10 H2B 120.0 . .
H2A N10 H2B 120.0 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 N15 H9A 120.0 . .
C15 N15 H9B 120.0 . .
H9A N15 H9B 120.0 . .
O16 C16 N16 147(2) . .
O16 C16 H039 106.4 . .
N16 C16 H039 106.4 . .
O15 C15 N15 127.1(9) . .
O15 C15 H044 116.5 . .
N15 C15 H044 116.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O5A 2.368(3) .
Sm1 O12B 2.396(3) 2_566
Sm1 O10 2.441(4) .
Sm1 O9 2.458(4) .
Sm1 O2 2.469(3) .
Sm1 O1 2.478(3) .
Sm1 O11 2.515(4) .
Sm1 O12A 2.544(4) .
Sm1 O12B 2.601(3) .
Sm1 C12 2.957(5) .
Sm1 Sm1 4.0805(7) 2_566
F7 C7 1.353(6) .
C4 F4 1.345(6) .
C4 C2 1.376(7) .
C4 C3 1.384(7) 2_565
O12B C12 1.272(6) .
O12B Sm1 2.396(3) 2_566
F8 C8 1.359(6) .
O9 C9 1.247(6) .
O1 C1 1.260(5) .
O11 C11 1.232(6) .
O5A C5 1.256(6) .
O12A C12 1.243(6) .
O10 C10 1.228(7) .
F3 C3 1.346(6) .
O2 C1 1.239(6) 2_566
C1 O2 1.239(6) 2_566
C1 C2 1.518(6) .
O5B C5 1.232(7) .
C14 O14 1.200(9) .
C14 N14 1.302(10) .
C14 H14 0.9300 .
C2 C3 1.377(7) .
O15 C15 1.229(10) .
C6 C8 1.381(7) .
C6 C7 1.392(7) .
C6 C5 1.513(7) .
C3 C4 1.384(7) 2_565
N11 C11 1.305(6) .
N11 H3A 0.8600 .
N11 H3B 0.8600 .
C7 C8 1.366(7) 2_667
C12 C13 1.509(7) .
N9 C9 1.298(6) .
N9 H1A 0.8600 .
N9 H1B 0.8600 .
N16 C16 1.146(15) .
N16 H40A 0.8600 .
N16 H40B 0.8600 .
C10 N10 1.270(8) .
C10 H10 0.9300 .
C8 C7 1.366(7) 2_667
N14 H12A 0.8600 .
N14 H12B 0.8600 .
C9 H9 0.9300 .
C11 H11 0.9300 .
N10 H2A 0.8600 .
N10 H2B 0.8600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
N15 C15 1.242(10) .
N15 H9A 0.8600 .
N15 H9B 0.8600 .
O16 C16 1.133(13) .
C16 H039 0.9300 .
C15 H044 0.9300 .
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
Sm1 O1 C1 O2 0.9(8) . 2_566
Sm1 O1 C1 C2 -177.5(3) . .
F4 C4 C2 C3 177.4(5) . .
C3 C4 C2 C3 -0.5(9) 2_565 .
F4 C4 C2 C1 -0.3(8) . .
C3 C4 C2 C1 -178.2(5) 2_565 .
O2 C1 C2 C4 -68.8(7) 2_566 .
O1 C1 C2 C4 109.8(6) . .
O2 C1 C2 C3 113.6(6) 2_566 .
O1 C1 C2 C3 -67.8(7) . .
C4 C2 C3 F3 179.5(5) . .
C1 C2 C3 F3 -2.8(8) . .
C4 C2 C3 C4 0.5(9) . 2_565
C1 C2 C3 C4 178.2(5) . 2_565
C8 C6 C7 F7 177.8(5) . .
C5 C6 C7 F7 -2.0(8) . .
C8 C6 C7 C8 -1.6(9) . 2_667
C5 C6 C7 C8 178.6(5) . 2_667
Sm1 O12A C12 O12B -5.8(5) . .
Sm1 O12A C12 C13 173.6(5) . .
Sm1 O12B C12 O12A 144.8(5) 2_566 .
Sm1 O12B C12 O12A 5.6(5) . .
Sm1 O12B C12 C13 -34.6(9) 2_566 .
Sm1 O12B C12 C13 -173.8(4) . .
Sm1 O12B C12 Sm1 139.2(6) 2_566 .
Sm1 O10 C10 N10 -163.5(5) . .
C7 C6 C8 F8 179.4(5) . .
C5 C6 C8 F8 -0.8(8) . .
C7 C6 C8 C7 1.6(9) . 2_667
C5 C6 C8 C7 -178.6(5) . 2_667
Sm1 O5A C5 O5B 27.8(11) . .
Sm1 O5A C5 C6 -153.7(5) . .
C8 C6 C5 O5B 117.3(6) . .
C7 C6 C5 O5B -62.8(7) . .
C8 C6 C5 O5A -61.2(7) . .
C7 C6 C5 O5A 118.6(6) . .
Sm1 O9 C9 N9 -174.1(4) . .
Sm1 O11 C11 N11 177.9(4) . .
