#------------------------------------------------------------------------------
#$Date: 2017-09-19 07:09:55 +0300 (Tue, 19 Sep 2017) $
#$Revision: 201017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/42/7044273.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_7044273
loop_
_publ_author_name
'Feng, Xun'
'Guo, Nan'
'Chen, Haipeng'
'Wang, Helin'
'Chen, Xin'
'Yue, Lingyun'
'Ng, Seik Weng'
'Liu, Xinfang'
'Ma, Lufang'
'Wang, Liya'
_publ_section_title
;
 Series anionic host coordination polymers based on azoxybenzene
 carboxylate: structures, luminescence and magnetic properties
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02974H
_journal_year                    2017
_chemical_formula_moiety         'C16 H16 N2 O13 Sm, O, C10 H9 N2'
_chemical_formula_sum            'C26 H25 N4 O14 Sm'
_chemical_formula_weight         767.82
_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   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2017-09-01
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_audit_update_record
;
2017-09-03 deposited with the CCDC.
2017-09-18 downloaded from the CCDC.
;
_cell_angle_alpha                108.803(9)
_cell_angle_beta                 95.641(8)
_cell_angle_gamma                113.361(6)
_cell_formula_units_Z            2
_cell_length_a                   10.889(4)
_cell_length_b                   11.454(5)
_cell_length_c                   13.192(9)
_cell_measurement_reflns_used    5009
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.386
_cell_measurement_theta_min      2.334
_cell_volume                     1380.6(12)
_computing_cell_refinement       'SAINT v7.60A (Bruker, 2009)'
_computing_data_reduction        'SAINT v7.60A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_av_unetI/netI     0.0421
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7172
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.495
_diffrn_reflns_theta_min         1.689
_exptl_absorpt_coefficient_mu    2.209
_exptl_absorpt_correction_T_max  0.5768
_exptl_absorpt_correction_T_min  0.4646
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.840
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         2.632
_refine_diff_density_min         -1.135
_refine_diff_density_rms         0.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         5025
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0919P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1182
_refine_ls_wR_factor_ref         0.1255
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4539
_reflns_number_total             5025
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt02974h2.cif
_cod_data_source_block           Sm
_cod_database_code               7044273
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_max   0.577
_shelx_estimated_absorpt_t_min   0.465
_exptl_absorpt_special_details   none
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H,H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C10(H10), C13(H13),
 C14(H14), C15(H15), C19(H19), C20(H20), C21(H21)
2.b Tetrahedral OH refined with riding coordinates:
 O1W(H1WA), O2W(H2WA), O4W(H4WA)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Sm1 Sm 0.35703(2) -0.19386(2) 0.00715(2) 0.02266(13) Uani 1 1 d .
O1W O 0.1268(4) -0.3079(4) 0.0383(3) 0.0308(8) Uani 1 1 d .
H1WA H 0.1272 -0.3615 0.0671 0.046 Uiso 1 1 calc R
O1 O 1.3109(9) 0.3137(7) 0.3309(8) 0.108(3) Uani 1 1 d .
O2W O 0.3473(4) -0.0033(4) 0.1457(4) 0.0342(9) Uani 1 1 d .
H2WA H 0.3527 -0.0120 0.2050 0.051 Uiso 1 1 calc R
O2 O 1.2829(5) 0.4511(4) 0.1033(4) 0.0434(11) Uani 1 1 d .
O3W O 0.4388(5) -0.2475(4) -0.1724(4) 0.0357(10) Uani 1 1 d .
H3WA H 0.371(9) -0.264(8) -0.229(7) 0.054 Uiso 1 1 d R
H3WB H 0.455(8) -0.303(8) -0.196(7) 0.054 Uiso 1 1 d R
O3 O 1.1156(4) 0.5111(4) 0.1330(4) 0.0381(10) Uani 1 1 d .
O4W O 0.3051(4) -0.4382(4) -0.0551(3) 0.0316(9) Uani 1 1 d .
H4WA H 0.3530 -0.4540 -0.0967 0.047 Uiso 1 1 calc R
O4 O 0.6063(4) 0.0084(4) 0.0676(3) 0.0279(8) Uani 1 1 d .
O5 O 0.5812(4) -0.1981(4) 0.0447(4) 0.0388(10) Uani 1 1 d .
O5W O 0.5308(5) 0.4744(4) 0.1897(4) 0.0418(10) Uani 1 1 d .
O6 O 0.2021(6) -0.2402(5) -0.2987(4) 0.0584(15) Uani 1 1 d .
O7 O 0.1687(4) -0.2864(4) -0.1519(3) 0.0306(9) Uani 1 1 d .
O8 O 0.3796(4) -0.2290(4) 0.1745(3) 0.0324(9) Uani 1 1 d .
O9 O 0.3682(6) -0.0703(5) 0.3171(4) 0.0547(13) Uani 1 1 d .
N1 N 1.2370(6) 0.3672(5) 0.3058(5) 0.0456(14) Uani 1 1 d .
N2 N 1.1131(6) 0.3123(5) 0.2704(6) 0.0516(16) Uani 1 1 d .
N3 N 0.3127(6) 1.2633(5) 0.6492(5) 0.0411(13) Uani 1 1 d .
N4 N -0.0579(6) 0.5663(5) 0.2828(5) 0.0461(13) Uani 1 1 d .
C1 C -0.0051(10) 0.5977(7) 0.3864(7) 0.065(2) Uani 1 1 d .
H1 H -0.0187 0.5267 0.4105 0.078 Uiso 1 1 calc R
C2 C 0.0707(9) 0.7334(7) 0.4617(6) 0.060(2) Uani 1 1 d .
H2 H 0.1069 0.7532 0.5354 0.072 Uiso 1 1 calc R
C3 C 0.0917(6) 0.8382(6) 0.4265(5) 0.0355(13) Uani 1 1 d .
C4 C 0.0357(7) 0.8013(7) 0.3159(6) 0.0479(16) Uani 1 1 d .
H4 H 0.0486 0.8698 0.2888 0.058 Uiso 1 1 calc R
C5 C -0.0389(8) 0.6646(7) 0.2456(6) 0.0499(17) Uani 1 1 d .
H5 H -0.0764 0.6409 0.1712 0.060 Uiso 1 1 calc R
C6 C 0.1695(6) 0.9863(6) 0.5040(5) 0.0349(13) Uani 1 1 d .
C7 C 0.2311(9) 1.0248(7) 0.6121(6) 0.058(2) Uani 1 1 d .
H7 H 0.2281 0.9577 0.6384 0.070 Uiso 1 1 calc R
C8 C 0.2975(8) 1.1617(7) 0.6824(6) 0.0526(18) Uani 1 1 d .
H8 H 0.3336 1.1847 0.7569 0.063 Uiso 1 1 calc R
C9 C 0.2541(8) 1.2244(6) 0.5440(6) 0.0530(18) Uani 1 1 d .
H9 H 0.2604 1.2933 0.5191 0.064 Uiso 1 1 calc R
C10 C 0.1849(8) 1.0904(7) 0.4688(6) 0.0531(19) Uani 1 1 d .
H10 H 0.1487 1.0700 0.3949 0.064 Uiso 1 1 calc R
C11 C 1.2985(6) 0.5878(6) 0.2884(5) 0.0313(12) Uani 1 1 d .
C12 C 1.3028(7) 0.5169(6) 0.3545(6) 0.0386(14) Uani 1 1 d .
C13 C 1.3695(8) 0.5818(7) 0.4663(6) 0.0499(17) Uani 1 1 d .
H13 H 1.3747 0.5311 0.5079 0.060 Uiso 1 1 calc R
C14 C 1.4278(8) 0.7238(7) 0.5139(6) 0.0533(18) Uani 1 1 d .
H14 H 1.4715 0.7704 0.5893 0.064 Uiso 1 1 calc R
C15 C 1.4224(7) 0.7965(6) 0.4521(5) 0.0430(15) Uani 1 1 d .
H15 H 1.4596 0.8924 0.4863 0.052 Uiso 1 1 calc R
C16 C 1.3618(7) 0.7299(6) 0.3374(5) 0.0364(13) Uani 1 1 d .
C17 C 1.2258(6) 0.5096(5) 0.1644(5) 0.0297(12) Uani 1 1 d .
C18 C 1.0363(6) 0.1668(6) 0.2085(5) 0.0343(13) Uani 1 1 d .
C19 C 1.0924(6) 0.0768(6) 0.1740(6) 0.0372(14) Uani 1 1 d .
H19 H 1.1878 0.1096 0.1948 0.045 Uiso 1 1 calc R
C20 C 1.0089(6) -0.0606(6) 0.1094(5) 0.0346(13) Uani 1 1 d .
H20 H 1.0475 -0.1210 0.0873 0.042 Uiso 1 1 calc R
C21 C 0.8668(6) -0.1094(5) 0.0770(5) 0.0295(12) Uani 1 1 d .
H21 H 0.8099 -0.2025 0.0328 0.035 Uiso 1 1 calc R
C22 C 0.8088(6) -0.0183(5) 0.1109(5) 0.0272(11) Uani 1 1 d .
C23 C 0.8938(6) 0.1204(5) 0.1767(5) 0.0268(11) Uani 1 1 d .
C24 C 0.6576(6) -0.0729(5) 0.0714(5) 0.0269(11) Uani 1 1 d .
C25 C 0.3700(6) -0.1812(5) 0.2722(5) 0.0321(12) Uani 1 1 d .
C26 C 0.1652(6) -0.2224(5) -0.2138(5) 0.0282(12) Uani 1 1 d .
H1WB H 0.061(7) -0.344(7) -0.021(6) 0.034 Uiso 1 1 d R
H2WB H 0.405(7) 0.074(7) 0.158(6) 0.034 Uiso 1 1 d R
H4WB H 0.300(6) -0.489(6) 0.003(5) 0.034 Uiso 1 1 d R
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
O1W Sm1 O3W 129.73(14) . .
O1W Sm1 O4 116.81(12) . 2_655
O1W Sm1 O4 152.01(13) . .
O1W Sm1 C24 151.97(15) . .
O2W Sm1 O1W 78.20(14) . .
O2W Sm1 O3W 139.41(14) . .
O2W Sm1 O4W 145.72(14) . .
O2W Sm1 O4 71.82(14) . 2_655
O2W Sm1 O4 75.44(13) . .
O2W Sm1 O5 113.16(15) . .
O2W Sm1 C24 94.44(15) . .
O3W Sm1 O4 77.68(13) . .
O3W Sm1 C24 72.37(16) . .
O4W Sm1 O1W 75.58(13) . .
O4W Sm1 O3W 74.87(13) . .
O4W Sm1 O4 140.63(14) . 2_655
O4W Sm1 O4 123.83(12) . .
O4W Sm1 O5 73.59(13) . .
O4W Sm1 C24 98.39(13) . .
O4 Sm1 O3W 69.04(13) 2_655 .
O4 Sm1 O4 62.98(14) 2_655 .
O4 Sm1 C24 25.97(12) . .
O4 Sm1 C24 85.45(13) 2_655 .
O5 Sm1 O1W 136.18(13) . .
O5 Sm1 O3W 69.55(16) . .
O5 Sm1 O4 51.00(12) . .
O5 Sm1 O4 106.79(13) . 2_655
O5 Sm1 C24 25.05(13) . .
O7 Sm1 O1W 66.38(14) . .
O7 Sm1 O2W 107.77(14) . .
O7 Sm1 O3W 69.66(15) . .
O7 Sm1 O4W 81.34(13) . .
O7 Sm1 O4 71.95(12) . 2_655
O7 Sm1 O4 131.32(13) . .
O7 Sm1 O5 136.31(14) . .
O7 Sm1 C24 140.69(14) . .
O8 Sm1 O1W 69.45(14) . .
O8 Sm1 O2W 74.10(14) . .
O8 Sm1 O3W 138.02(14) . .
O8 Sm1 O4W 76.24(13) . .
O8 Sm1 O4 142.72(12) . 2_655
O8 Sm1 O4 94.19(13) . .
O8 Sm1 O5 73.48(15) . .
O8 Sm1 O7 134.10(14) . .
O8 Sm1 C24 82.52(15) . .
Sm1 O1W H1WA 109.5 . .
Sm1 O1W H1WB 111(5) . .
H1WA O1W H1WB 115.1 . .
Sm1 O2W H2WA 109.5 . .
Sm1 O2W H2WB 118(5) . .
H2WA O2W H2WB 106.5 . .
Sm1 O3W H3WA 107(5) . .
Sm1 O3W H3WB 125(7) . .
H3WA O3W H3WB 102(8) . .
Sm1 O4W H4WA 109.5 . .
Sm1 O4W H4WB 122(3) . .
H4WA O4W H4WB 111.4 . .
Sm1 O4 Sm1 117.02(14) 2_655 .
C24 O4 Sm1 90.6(3) . .
C24 O4 Sm1 138.3(3) . 2_655
C24 O5 Sm1 97.8(3) . .
C26 O7 Sm1 122.7(3) . .
C25 O8 Sm1 140.1(4) . .
O1 N1 C12 114.7(6) . .
N2 N1 O1 127.4(6) . .
N2 N1 C12 115.3(5) . .
N1 N2 C18 121.5(5) . .
C9 N3 C8 115.8(6) . .
C1 N4 C5 120.5(6) . .
N4 C1 H1 119.0 . .
N4 C1 C2 122.0(7) . .
C2 C1 H1 119.0 . .
C1 C2 H2 120.4 . .
C3 C2 C1 119.2(7) . .
C3 C2 H2 120.4 . .
C2 C3 C4 117.3(6) . .
C2 C3 C6 121.8(6) . .
C4 C3 C6 120.9(5) . .
C3 C4 H4 119.8 . .
C5 C4 C3 120.4(6) . .
C5 C4 H4 119.8 . .
N4 C5 C4 120.5(7) . .
N4 C5 H5 119.8 . .
C4 C5 H5 119.8 . .
C7 C6 C3 121.7(6) . .
C7 C6 C10 117.0(6) . .
C10 C6 C3 121.3(6) . .
C6 C7 H7 119.8 . .
C6 C7 C8 120.3(7) . .
C8 C7 H7 119.8 . .
N3 C8 C7 123.1(7) . .
N3 C8 H8 118.5 . .
C7 C8 H8 118.5 . .
N3 C9 H9 117.6 . .
N3 C9 C10 124.8(6) . .
C10 C9 H9 117.6 . .
C6 C10 H10 120.5 . .
C9 C10 C6 118.9(7) . .
C9 C10 H10 120.5 . .
C12 C11 C17 120.6(5) . .
C16 C11 C12 117.9(6) . .
C16 C11 C17 121.5(5) . .
C11 C12 N1 119.4(6) . .
C11 C12 C13 123.2(6) . .
C13 C12 N1 117.4(6) . .
C12 C13 H13 121.2 . .
C14 C13 C12 117.6(6) . .
C14 C13 H13 121.2 . .
C13 C14 H14 119.7 . .
C15 C14 C13 120.7(7) . .
C15 C14 H14 119.7 . .
C14 C15 H15 119.4 . .
C14 C15 C16 121.1(6) . .
C16 C15 H15 119.4 . .
C11 C16 C15 119.4(6) . .
C11 C16 C25 122.5(5) . 1_665
C15 C16 C25 118.1(5) . 1_665
O2 C17 C11 117.6(5) . .
O3 C17 O2 125.6(6) . .
O3 C17 C11 116.8(5) . .
C19 C18 N2 125.4(6) . .
C19 C18 C23 120.6(6) . .
C23 C18 N2 113.8(5) . .
C18 C19 H19 119.7 . .
C20 C19 C18 120.6(6) . .
C20 C19 H19 119.7 . .
C19 C20 H20 120.1 . .
C19 C20 C21 119.8(5) . .
C21 C20 H20 120.1 . .
C20 C21 H21 120.0 . .
C20 C21 C22 119.9(5) . .
C22 C21 H21 120.0 . .
C21 C22 C24 118.4(5) . .
C23 C22 C21 119.9(5) . .
C23 C22 C24 121.6(4) . .
C18 C23 C26 119.5(5) . 2_655
C22 C23 C18 119.0(5) . .
C22 C23 C26 121.4(5) . 2_655
O4 C24 Sm1 63.5(3) . .
O4 C24 C22 120.1(5) . .
O5 C24 Sm1 57.2(3) . .
O5 C24 O4 120.6(5) . .
O5 C24 C22 119.2(5) . .
C22 C24 Sm1 174.7(4) . .
O8 C25 C16 115.7(5) . 1_445
O9 C25 O8 125.4(6) . .
O9 C25 C16 118.9(5) . 1_445
O6 C26 O7 124.4(5) . .
O6 C26 C23 120.0(5) . 2_655
O7 C26 C23 115.6(5) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O1W 2.472(4) .
Sm1 O2W 2.401(4) .
Sm1 O3W 2.586(5) .
Sm1 O4W 2.449(4) .
Sm1 O4 2.529(4) 2_655
Sm1 O4 2.601(4) .
Sm1 O5 2.465(4) .
Sm1 O7 2.393(4) .
Sm1 O8 2.375(4) .
Sm1 C24 2.907(6) .
O1W H1WA 0.8200 .
O1W H1WB 0.86(7) .
O1 N1 1.266(8) .
O2W H2WA 0.8200 .
O2W H2WB 0.80(7) .
O2 C17 1.252(7) .
O3W H3WA 0.91(9) .
O3W H3WB 0.71(7) .
O3 C17 1.238(7) .
O4W H4WA 0.8200 .
O4W H4WB 1.10(6) .
O4 Sm1 2.529(4) 2_655
O4 C24 1.273(6) .
O5 C24 1.242(6) .
O6 C26 1.210(7) .
O7 C26 1.268(6) .
O8 C25 1.260(7) .
O9 C25 1.226(7) .
N1 N2 1.203(7) .
N1 C12 1.445(7) .
N2 C18 1.424(7) .
N3 C8 1.328(9) .
N3 C9 1.316(9) .
N4 C1 1.301(10) .
N4 C5 1.320(9) .
C1 H1 0.9300 .
C1 C2 1.381(10) .
C2 H2 0.9300 .
C2 C3 1.368(9) .
C3 C4 1.380(9) .
C3 C6 1.488(8) .
C4 H4 0.9300 .
C4 C5 1.371(9) .
C5 H5 0.9300 .
C6 C7 1.360(10) .
C6 C10 1.371(9) .
C7 H7 0.9300 .
C7 C8 1.369(10) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C9 C10 1.365(9) .
C10 H10 0.9300 .
C11 C12 1.379(8) .
C11 C16 1.373(8) .
C11 C17 1.532(8) .
C12 C13 1.383(10) .
C13 H13 0.9300 .
C13 C14 1.374(9) .
C14 H14 0.9300 .
C14 C15 1.352(9) .
C15 H15 0.9300 .
C15 C16 1.403(9) .
C16 C25 1.515(8) 1_665
C18 C19 1.376(8) .
C18 C23 1.393(8) .
C19 H19 0.9300 .
C19 C20 1.371(9) .
C20 H20 0.9300 .
C20 C21 1.385(8) .
C21 H21 0.9300 .
C21 C22 1.401(7) .
C22 C23 1.386(7) .
C22 C24 1.476(8) .
C23 C26 1.518(7) 2_655
C25 C16 1.515(8) 1_445
C26 C23 1.518(7) 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
Sm1 O4 C24 Sm1 -134.0(5) 2_655 .
Sm1 O4 C24 O5 -131.4(5) 2_655 .
Sm1 O4 C24 O5 2.5(5) . .
Sm1 O4 C24 C22 50.4(8) 2_655 .
Sm1 O4 C24 C22 -175.6(5) . .
Sm1 O5 C24 O4 -2.7(6) . .
Sm1 O5 C24 C22 175.5(4) . .
Sm1 O7 C26 O6 95.7(7) . .
Sm1 O7 C26 C23 -86.0(5) . 2_655
Sm1 O8 C25 O9 -15.4(10) . .
Sm1 O8 C25 C16 165.3(4) . 1_445
O1 N1 N2 C18 -27.0(13) . .
O1 N1 C12 C11 132.1(8) . .
O1 N1 C12 C13 -46.9(10) . .
N1 N2 C18 C19 -6.1(11) . .
N1 N2 C18 C23 178.3(7) . .
N1 C12 C13 C14 -177.6(6) . .
N2 N1 C12 C11 -64.7(9) . .
N2 N1 C12 C13 116.2(8) . .
N2 C18 C19 C20 -176.4(7) . .
N2 C18 C23 C22 176.5(6) . .
N2 C18 C23 C26 -2.8(8) . 2_655
N3 C9 C10 C6 2.4(13) . .
N4 C1 C2 C3 -0.4(14) . .
C1 N4 C5 C4 -0.7(12) . .
C1 C2 C3 C4 -0.4(12) . .
C1 C2 C3 C6 178.6(8) . .
C2 C3 C4 C5 0.6(11) . .
C2 C3 C6 C7 4.3(11) . .
C2 C3 C6 C10 -177.2(8) . .
C3 C4 C5 N4 -0.1(11) . .
C3 C6 C7 C8 -177.5(7) . .
C3 C6 C10 C9 178.3(7) . .
C4 C3 C6 C7 -176.8(7) . .
C4 C3 C6 C10 1.7(10) . .
C5 N4 C1 C2 0.9(13) . .
C6 C3 C4 C5 -178.3(6) . .
C6 C7 C8 N3 -4.0(13) . .
C7 C6 C10 C9 -3.1(12) . .
C8 N3 C9 C10 -2.2(12) . .
C9 N3 C8 C7 2.9(11) . .
C10 C6 C7 C8 3.9(12) . .
C11 C12 C13 C14 3.3(11) . .
C12 N1 N2 C18 172.3(6) . .
C12 C11 C16 C15 -2.8(9) . .
C12 C11 C16 C25 176.8(6) . 1_665
C12 C11 C17 O2 -71.3(8) . .
C12 C11 C17 O3 109.3(6) . .
C12 C13 C14 C15 -1.6(12) . .
C13 C14 C15 C16 -2.3(12) . .
C14 C15 C16 C11 4.5(11) . .
C14 C15 C16 C25 -175.1(6) . 1_665
C16 C11 C12 N1 179.9(6) . .
C16 C11 C12 C13 -1.1(10) . .
C16 C11 C17 O2 108.3(6) . .
C16 C11 C17 O3 -71.1(7) . .
C17 C11 C12 N1 -0.5(9) . .
C17 C11 C12 C13 178.5(6) . .
C17 C11 C16 C15 177.6(6) . .
C17 C11 C16 C25 -2.8(9) . 1_665
C18 C19 C20 C21 0.9(10) . .
C19 C18 C23 C22 0.7(9) . .
C19 C18 C23 C26 -178.7(6) . 2_655
C19 C20 C21 C22 -0.3(9) . .
C20 C21 C22 C23 0.0(9) . .
C20 C21 C22 C24 177.8(5) . .
C21 C22 C23 C18 -0.1(8) . .
C21 C22 C23 C26 179.2(5) . 2_655
C21 C22 C24 O4 -156.6(5) . .
C21 C22 C24 O5 25.2(8) . .
C23 C18 C19 C20 -1.1(10) . .
C23 C22 C24 O4 21.2(8) . .
C23 C22 C24 O5 -157.0(6) . .
C24 C22 C23 C18 -177.9(6) . .
C24 C22 C23 C26 1.5(8) . 2_655
