#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:04:06 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179554 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/23/4502319.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_4502319
loop_
_publ_author_name
'Li, Xinfa'
'Liu, Tianfu'
'Lin, Qipu'
'Cao, Rong'
_publ_section_title
;
 Rare Earth Metal Oxalatophosphonates: Syntheses, Structure Diversity, and
 Photoluminescence Properties
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              608
_journal_paper_doi               10.1021/cg900995u
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C11 H21 N O17 P Sm2'
_chemical_formula_weight         770.96
_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                73.620(1)
_cell_angle_beta                 69.557(2)
_cell_angle_gamma                66.538(1)
_cell_formula_units_Z            2
_cell_length_a                   9.6595(3)
_cell_length_b                   10.6553(1)
_cell_length_c                   12.3775(1)
_cell_measurement_reflns_used    3161
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.1129
_cell_volume                     1079.78(4)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.943
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8102
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.11
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_exptl_absorpt_coefficient_mu    5.542
_exptl_absorpt_correction_T_max  0.323
_exptl_absorpt_correction_T_min  0.190
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'
_exptl_crystal_colour            Light-yellow
_exptl_crystal_density_diffrn    2.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             738
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.356
_refine_diff_density_min         -2.003
_refine_diff_density_rms         0.349
_refine_ls_extinction_coef       0.0158(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4672
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0291
_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)+(0.0540P)²+4.4400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0908
_reflns_number_gt                4330
_reflns_number_total             4672
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900995u_si_002.cif
_cod_data_source_block           6-Sm
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4502319
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 0.40988(3) 0.66955(2) 0.29118(2) 0.01636(10) Uani 1 1 d .
Sm2 Sm -0.05923(3) 0.68446(2) 0.76037(2) 0.01645(10) Uani 1 1 d .
P1 P 0.34543(13) 0.67977(12) 0.60438(10) 0.0174(2) Uani 1 1 d .
N1 N 0.2675(5) 0.8930(4) 0.7269(4) 0.0203(8) Uani 1 1 d .
H1A H 0.1696 0.8873 0.7488 0.024 Uiso 1 1 calc R
O1 O 0.3340(5) 0.6965(4) 0.4821(3) 0.0309(8) Uani 1 1 d .
O2 O 0.1990(4) 0.6634(4) 0.6971(3) 0.0263(8) Uani 1 1 d .
O3 O 0.4942(4) 0.5715(4) 0.6305(3) 0.0246(7) Uani 1 1 d .
O4 O 0.4257(5) 0.9026(4) 0.2642(5) 0.0431(12) Uani 1 1 d .
O5 O 0.3037(4) 1.1325(4) 0.2380(4) 0.0361(10) Uani 1 1 d .
O6 O 0.1782(5) 0.8632(4) 0.2509(4) 0.0342(9) Uani 1 1 d .
O7 O 0.0491(4) 1.0910(4) 0.2381(4) 0.0259(8) Uani 1 1 d .
O8 O 0.3764(4) 0.5592(4) 0.1589(3) 0.0267(8) Uani 1 1 d .
O9 O 0.2654(4) 0.4196(4) 0.1440(3) 0.0257(7) Uani 1 1 d .
O10 O 0.1712(4) 0.6036(4) 0.3663(3) 0.0232(7) Uani 1 1 d .
O11 O 0.0393(4) 0.4889(4) 0.3408(3) 0.0255(8) Uani 1 1 d .
O12 O -0.1023(4) 0.6770(4) 0.9675(3) 0.0240(7) Uani 1 1 d .
O13 O -0.0714(4) 0.5449(4) 1.1379(3) 0.0264(8) Uani 1 1 d .
O14 O 0.6605(4) 0.6543(4) 0.2996(4) 0.0290(8) Uani 1 1 d .
H14B H 0.6707 0.7340 0.2760 0.044 Uiso 1 1 d R
H14C H 0.7325 0.5981 0.2559 0.044 Uiso 1 1 d R
O15 O 0.5719(5) 0.7028(5) 0.0851(4) 0.0388(10) Uani 1 1 d .
H15B H 0.5687 0.6484 0.0479 0.058 Uiso 1 1 d R
H15C H 0.6661 0.6846 0.0846 0.058 Uiso 1 1 d R
O16 O -0.0366(7) 0.7844(5) 0.5477(4) 0.0491(12) Uani 1 1 d .
H16B H -0.1272 0.8331 0.5385 0.074 Uiso 1 1 d R
H16C H 0.0041 0.7188 0.5082 0.074 Uiso 1 1 d R
O17 O 0.2482(5) 0.3296(5) 0.5198(4) 0.0410(10) Uani 1 1 d .
H17A H 0.2762 0.3361 0.5754 0.062 Uiso 1 1 d R
H17B H 0.2265 0.4087 0.4767 0.062 Uiso 1 1 d R
C1 C 0.3477(6) 0.8498(5) 0.6099(5) 0.0261(10) Uani 1 1 d .
H1B H 0.4557 0.8465 0.5879 0.031 Uiso 1 1 calc R
H1C H 0.2975 0.9193 0.5529 0.031 Uiso 1 1 calc R
C2 C 0.2485(7) 1.0415(6) 0.7214(5) 0.0317(12) Uani 1 1 d .
H2A H 0.1952 1.1004 0.6623 0.038 Uiso 1 1 calc R
H2B H 0.3509 1.0512 0.6993 0.038 Uiso 1 1 calc R
C3 C 0.1558(8) 1.0868(6) 0.8379(6) 0.0361(13) Uani 1 1 d .
H3A H 0.0503 1.0851 0.8563 0.043 Uiso 1 1 calc R
H3B H 0.1487 1.1815 0.8335 0.043 Uiso 1 1 calc R
C4 C 0.2307(9) 0.9937(7) 0.9343(6) 0.0446(16) Uani 1 1 d .
H4A H 0.1647 1.0216 1.0089 0.053 Uiso 1 1 calc R
H4B H 0.3316 1.0029 0.9207 0.053 Uiso 1 1 calc R
C5 C 0.2522(8) 0.8436(7) 0.9374(5) 0.0413(14) Uani 1 1 d .
H5A H 0.3052 0.7842 0.9966 0.050 Uiso 1 1 calc R
H5B H 0.1504 0.8329 0.9583 0.050 Uiso 1 1 calc R
C6 C 0.3475(7) 0.7998(6) 0.8194(5) 0.0308(11) Uani 1 1 d .
H6A H 0.4514 0.8053 0.8003 0.037 Uiso 1 1 calc R
H6B H 0.3583 0.7045 0.8224 0.037 Uiso 1 1 calc R
C7 C 0.3124(6) 1.0089(5) 0.2495(5) 0.0255(10) Uani 1 1 d .
C8 C 0.1674(6) 0.9849(5) 0.2461(4) 0.0210(9) Uani 1 1 d .
C9 C 0.2757(5) 0.5020(5) 0.1928(4) 0.0192(9) Uani 1 1 d .
C10 C 0.1495(6) 0.5360(5) 0.3105(4) 0.0205(9) Uani 1 1 d .
C11 C -0.0505(5) 0.5641(5) 1.0307(4) 0.0201(9) 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'
P P 0.1023 0.0942 '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
O1 Sm1 O3 83.56(14) . 2_666
O1 Sm1 O14 83.49(14) . .
O3 Sm1 O14 80.37(13) 2_666 .
O1 Sm1 O8 142.84(14) . .
O3 Sm1 O8 77.55(13) 2_666 .
O14 Sm1 O8 123.58(13) . .
O1 Sm1 O6 91.93(15) . .
O3 Sm1 O6 144.77(13) 2_666 .
O14 Sm1 O6 133.97(13) . .
O8 Sm1 O6 85.74(13) . .
O1 Sm1 O10 78.82(13) . .
O3 Sm1 O10 77.06(12) 2_666 .
O14 Sm1 O10 152.64(13) . .
O8 Sm1 O10 65.97(12) . .
O6 Sm1 O10 67.81(13) . .
O1 Sm1 O4 80.34(17) . .
O3 Sm1 O4 146.65(13) 2_666 .
O14 Sm1 O4 68.95(13) . .
O8 Sm1 O4 130.44(16) . .
O6 Sm1 O4 65.13(13) . .
O10 Sm1 O4 127.28(13) . .
O1 Sm1 O15 151.90(14) . .
O3 Sm1 O15 107.08(14) 2_666 .
O14 Sm1 O15 73.15(14) . .
O8 Sm1 O15 65.16(13) . .
O6 Sm1 O15 93.19(16) . .
O10 Sm1 O15 128.46(13) . .
O4 Sm1 O15 76.86(17) . .
O2 Sm2 O5 136.88(13) . 2_576
O2 Sm2 O11 96.57(13) . 2_566
O5 Sm2 O11 108.78(14) 2_576 2_566
O2 Sm2 O12 99.02(14) . .
O5 Sm2 O12 90.76(15) 2_576 .
O11 Sm2 O12 130.11(12) 2_566 .
O2 Sm2 O7 74.12(12) . 2_576
O5 Sm2 O7 67.03(12) 2_576 2_576
O11 Sm2 O7 151.83(13) 2_566 2_576
O12 Sm2 O7 78.01(13) . 2_576
O2 Sm2 O9 150.20(13) . 2_566
O5 Sm2 O9 72.92(13) 2_576 2_566
O11 Sm2 O9 67.26(12) 2_566 2_566
O12 Sm2 O9 76.25(13) . 2_566
O7 Sm2 O9 131.48(12) 2_576 2_566
O2 Sm2 O13 75.72(13) . 2_567
O5 Sm2 O13 144.59(14) 2_576 2_567
O11 Sm2 O13 72.39(12) 2_566 2_567
O12 Sm2 O13 66.25(12) . 2_567
O7 Sm2 O13 128.09(12) 2_576 2_567
O9 Sm2 O13 75.52(13) 2_566 2_567
O2 Sm2 O16 80.08(16) . .
O5 Sm2 O16 76.43(17) 2_576 .
O11 Sm2 O16 70.67(14) 2_566 .
O12 Sm2 O16 158.83(14) . .
O7 Sm2 O16 81.45(15) 2_576 .
O9 Sm2 O16 114.76(16) 2_566 .
O13 Sm2 O16 132.61(14) 2_567 .
O1 P1 O3 114.9(2) . .
O1 P1 O2 112.3(2) . .
O3 P1 O2 112.6(2) . .
O1 P1 C1 103.4(2) . .
O3 P1 C1 107.3(2) . .
O2 P1 C1 105.2(2) . .
C1 N1 C2 111.3(4) . .
C1 N1 C6 113.0(4) . .
C2 N1 C6 110.5(4) . .
C1 N1 H1A 107.2 . .
C2 N1 H1A 107.2 . .
C6 N1 H1A 107.2 . .
P1 O1 Sm1 158.9(3) . .
P1 O2 Sm2 153.4(2) . .
P1 O3 Sm1 139.5(2) . 2_666
C7 O4 Sm1 120.9(3) . .
C7 O5 Sm2 120.2(3) . 2_576
C8 O6 Sm1 120.4(3) . .
C8 O7 Sm2 118.8(3) . 2_576
C9 O8 Sm1 120.5(3) . .
C9 O9 Sm2 118.9(3) . 2_566
C10 O10 Sm1 119.3(3) . .
C10 O11 Sm2 119.0(3) . 2_566
C11 O12 Sm2 120.0(3) . .
C11 O13 Sm2 119.8(3) . 2_567
Sm1 O14 H14B 109.4 . .
Sm1 O14 H14C 109.4 . .
H14B O14 H14C 109.5 . .
Sm1 O15 H15B 109.3 . .
Sm1 O15 H15C 109.4 . .
H15B O15 H15C 109.5 . .
Sm2 O16 H16B 109.5 . .
Sm2 O16 H16C 109.4 . .
H16B O16 H16C 109.5 . .
H17A O17 H17B 108.4 . .
N1 C1 P1 113.7(3) . .
N1 C1 H1B 108.8 . .
P1 C1 H1B 108.8 . .
N1 C1 H1C 108.8 . .
P1 C1 H1C 108.8 . .
H1B C1 H1C 107.7 . .
N1 C2 C3 110.6(5) . .
N1 C2 H2A 109.5 . .
C3 C2 H2A 109.5 . .
N1 C2 H2B 109.5 . .
C3 C2 H2B 109.5 . .
H2A C2 H2B 108.1 . .
C2 C3 C4 111.5(5) . .
C2 C3 H3A 109.3 . .
C4 C3 H3A 109.3 . .
C2 C3 H3B 109.3 . .
C4 C3 H3B 109.3 . .
H3A C3 H3B 108.0 . .
C3 C4 C5 110.0(5) . .
C3 C4 H4A 109.7 . .
C5 C4 H4A 109.7 . .
C3 C4 H4B 109.7 . .
C5 C4 H4B 109.7 . .
H4A C4 H4B 108.2 . .
C6 C5 C4 110.7(6) . .
C6 C5 H5A 109.5 . .
C4 C5 H5A 109.5 . .
C6 C5 H5B 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 108.1 . .
N1 C6 C5 109.8(4) . .
N1 C6 H6A 109.7 . .
C5 C6 H6A 109.7 . .
N1 C6 H6B 109.7 . .
C5 C6 H6B 109.7 . .
H6A C6 H6B 108.2 . .
O4 C7 O5 127.2(5) . .
O4 C7 C8 115.9(5) . .
O5 C7 C8 116.9(4) . .
O6 C8 O7 126.3(5) . .
O6 C8 C7 117.3(4) . .
O7 C8 C7 116.5(4) . .
O8 C9 O9 127.1(5) . .
O8 C9 C10 116.0(4) . .
O9 C9 C10 116.9(4) . .
O10 C10 O11 126.5(5) . .
O10 C10 C9 116.7(4) . .
O11 C10 C9 116.8(4) . .
O13 C11 O12 126.4(5) . .
O13 C11 C11 116.5(5) . 2_567
O12 C11 C11 117.1(5) . 2_567
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O1 2.282(4) .
Sm1 O3 2.392(3) 2_666
Sm1 O14 2.398(3) .
Sm1 O8 2.434(4) .
Sm1 O6 2.457(4) .
Sm1 O10 2.470(3) .
Sm1 O4 2.470(4) .
Sm1 O15 2.495(4) .
Sm2 O2 2.275(3) .
Sm2 O5 2.388(4) 2_576
Sm2 O11 2.423(4) 2_566
Sm2 O12 2.433(3) .
Sm2 O7 2.439(4) 2_576
Sm2 O9 2.443(4) 2_566
Sm2 O13 2.463(4) 2_567
Sm2 O16 2.512(4) .
P1 O1 1.511(4) .
P1 O3 1.515(3) .
P1 O2 1.516(4) .
P1 C1 1.841(5) .
N1 C1 1.489(7) .
N1 C2 1.503(6) .
N1 C6 1.503(6) .
N1 H1A 0.9100 .
O3 Sm1 2.392(3) 2_666
O4 C7 1.245(6) .
O5 C7 1.255(6) .
O5 Sm2 2.388(4) 2_576
O6 C8 1.244(6) .
O7 C8 1.257(6) .
O7 Sm2 2.439(4) 2_576
O8 C9 1.240(6) .
O9 C9 1.248(6) .
O9 Sm2 2.443(4) 2_566
O10 C10 1.241(6) .
O11 C10 1.252(6) .
O11 Sm2 2.423(4) 2_566
O12 C11 1.254(6) .
O13 C11 1.239(6) .
O13 Sm2 2.463(4) 2_567
O14 H14B 0.8500 .
O14 H14C 0.8500 .
O15 H15B 0.8499 .
O15 H15C 0.8500 .
O16 H16B 0.8500 .
O16 H16C 0.8499 .
O17 H17A 0.8501 .
O17 H17B 0.8500 .
C1 H1B 0.9700 .
C1 H1C 0.9700 .
C2 C3 1.504(8) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.514(9) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.520(9) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.518(8) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.537(7) .
C9 C10 1.564(7) .
C11 C11 1.550(10) 2_567
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
O3 P1 O1 Sm1 -9.0(8) . .
O2 P1 O1 Sm1 -139.5(7) . .
C1 P1 O1 Sm1 107.6(7) . .
O3 Sm1 O1 P1 48.8(7) 2_666 .
O14 Sm1 O1 P1 -32.2(7) . .
O8 Sm1 O1 P1 108.3(7) . .
O6 Sm1 O1 P1 -166.2(7) . .
O10 Sm1 O1 P1 126.9(7) . .
O4 Sm1 O1 P1 -101.8(7) . .
O15 Sm1 O1 P1 -65.7(8) . .
O1 P1 O2 Sm2 -20.0(6) . .
O3 P1 O2 Sm2 -151.6(5) . .
C1 P1 O2 Sm2 91.8(5) . .
O5 Sm2 O2 P1 -57.2(6) 2_576 .
O11 Sm2 O2 P1 69.4(5) 2_566 .
O12 Sm2 O2 P1 -158.1(5) . .
O7 Sm2 O2 P1 -83.4(5) 2_576 .
O9 Sm2 O2 P1 123.8(5) 2_566 .
O13 Sm2 O2 P1 139.3(5) 2_567 .
O16 Sm2 O2 P1 0.4(5) . .
O1 P1 O3 Sm1 -92.0(4) . 2_666
O2 P1 O3 Sm1 38.3(4) . 2_666
C1 P1 O3 Sm1 153.7(3) . 2_666
O1 Sm1 O4 C7 -92.8(5) . .
O3 Sm1 O4 C7 -155.1(4) 2_666 .
O14 Sm1 O4 C7 -179.5(6) . .
O8 Sm1 O4 C7 63.7(6) . .
O6 Sm1 O4 C7 3.8(5) . .
O10 Sm1 O4 C7 -25.0(6) . .
O15 Sm1 O4 C7 103.7(5) . .
O1 Sm1 O6 C8 72.0(4) . .
O3 Sm1 O6 C8 153.6(4) 2_666 .
O14 Sm1 O6 C8 -10.8(5) . .
O8 Sm1 O6 C8 -145.1(4) . .
O10 Sm1 O6 C8 149.1(5) . .
O4 Sm1 O6 C8 -6.4(4) . .
O15 Sm1 O6 C8 -80.3(4) . .
O1 Sm1 O8 C9 8.8(5) . .
O3 Sm1 O8 C9 70.0(4) 2_666 .
O14 Sm1 O8 C9 139.4(4) . .
O6 Sm1 O8 C9 -78.8(4) . .
O10 Sm1 O8 C9 -11.2(3) . .
O4 Sm1 O8 C9 -130.6(4) . .
O15 Sm1 O8 C9 -174.3(4) . .
O1 Sm1 O10 C10 -161.7(4) . .
O3 Sm1 O10 C10 -75.8(3) 2_666 .
O14 Sm1 O10 C10 -111.0(4) . .
O8 Sm1 O10 C10 6.2(3) . .
O6 Sm1 O10 C10 101.6(4) . .
O4 Sm1 O10 C10 129.7(4) . .
O15 Sm1 O10 C10 25.9(4) . .
O2 Sm2 O12 C11 -74.6(4) . .
O5 Sm2 O12 C11 147.6(4) 2_576 .
O11 Sm2 O12 C11 32.0(4) 2_566 .
O7 Sm2 O12 C11 -146.1(4) 2_576 .
O9 Sm2 O12 C11 75.4(4) 2_566 .
O13 Sm2 O12 C11 -4.6(3) 2_567 .
O16 Sm2 O12 C11 -160.4(4) . .
C2 N1 C1 P1 -170.2(4) . .
C6 N1 C1 P1 64.7(5) . .
O1 P1 C1 N1 145.9(4) . .
O3 P1 C1 N1 -92.2(4) . .
O2 P1 C1 N1 27.9(4) . .
C1 N1 C2 C3 175.4(5) . .
C6 N1 C2 C3 -58.2(6) . .
N1 C2 C3 C4 56.6(6) . .
C2 C3 C4 C5 -55.4(7) . .
C3 C4 C5 C6 56.2(7) . .
C1 N1 C6 C5 -175.5(5) . .
C2 N1 C6 C5 59.0(6) . .
C4 C5 C6 N1 -58.2(7) . .
Sm1 O4 C7 O5 178.0(5) . .
Sm1 O4 C7 C8 -1.6(7) . .
Sm2 O5 C7 O4 -170.8(5) 2_576 .
Sm2 O5 C7 C8 8.8(7) 2_576 .
Sm1 O6 C8 O7 -172.3(4) . .
Sm1 O6 C8 C7 8.1(7) . .
Sm2 O7 C8 O6 177.2(4) 2_576 .
Sm2 O7 C8 C7 -3.2(6) 2_576 .
O4 C7 C8 O6 -4.3(8) . .
O5 C7 C8 O6 176.1(5) . .
O4 C7 C8 O7 176.0(5) . .
O5 C7 C8 O7 -3.6(8) . .
Sm1 O8 C9 O9 -164.8(4) . .
Sm1 O8 C9 C10 14.3(5) . .
Sm2 O9 C9 O8 176.9(4) 2_566 .
Sm2 O9 C9 C10 -2.2(5) 2_566 .
Sm1 O10 C10 O11 175.8(4) . .
Sm1 O10 C10 C9 -2.0(5) . .
Sm2 O11 C10 O10 -165.3(4) 2_566 .
Sm2 O11 C10 C9 12.5(5) 2_566 .
O8 C9 C10 O10 -8.1(6) . .
O9 C9 C10 O10 171.1(4) . .
O8 C9 C10 O11 173.9(5) . .
O9 C9 C10 O11 -6.9(6) . .
Sm2 O13 C11 O12 -175.7(4) 2_567 .
Sm2 O13 C11 C11 3.9(7) 2_567 2_567
Sm2 O12 C11 O13 -175.9(4) . .
Sm2 O12 C11 C11 4.6(7) . 2_567
