#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/23/4112307.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_4112307
loop_
_publ_author_name
'Bin Zhao'
'Peng Cheng'
'Xiaoyan Chen'
'Cai Cheng'
'Wei Shi'
'Daizheng Liao'
'Shiping Yan'
'Zonghui Jiang'
_publ_section_title
;
 Design and Synthesis of 3d-4f Metal-Based Zeolite-type Materials with a
 3D Nanotubular Structure Encapsulated "Water" Pipe
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3012
_journal_page_last               3013
_journal_paper_doi               10.1021/ja038784e
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C21 H33 Mn1.5 N3 O24 Yb'
_chemical_formula_weight         966.95
_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                104.048(6)
_cell_angle_beta                 90.555(5)
_cell_angle_gamma                107.490(5)
_cell_formula_units_Z            2
_cell_length_a                   9.304(4)
_cell_length_b                   12.170(4)
_cell_length_c                   16.243(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1694.9(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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 0.914
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5931
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    3.390
_exptl_absorpt_correction_T_max  0.7280
_exptl_absorpt_correction_T_min  0.5504
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.895
_exptl_crystal_F_000             959
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.124
_refine_diff_density_min         -1.529
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         5476
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0359
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0450P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0866
_reflns_number_gt                4755
_reflns_number_total             5476
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja038784esi20030929_104338.cif
_cod_data_source_block           020501c
_cod_original_formula_sum        'C21 H33 Mn1.50 N3 O24 Yb'
_cod_database_code               4112307
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
Yb1 Yb 0.93895(3) 0.81803(2) 0.220620(15) 0.01910(9) Uani 1 1 d .
Mn1 Mn 0.34422(10) 0.55686(9) 0.27556(6) 0.0284(2) Uani 1 1 d .
Mn2 Mn 1.5000 1.0000 0.0000 0.0258(3) Uani 1 2 d S
O1 O 1.1235(4) 0.8313(4) 0.1226(3) 0.0289(10) Uani 1 1 d .
O2 O 1.2734(5) 0.9284(4) 0.0390(3) 0.0398(12) Uani 1 1 d .
O3 O 0.8092(4) 0.9529(4) 0.2830(3) 0.0298(10) Uani 1 1 d .
O4 O 0.7695(6) 1.1300(4) 0.3066(3) 0.0456(12) Uani 1 1 d .
O5 O 1.1544(4) 0.9508(4) 0.3104(2) 0.0288(10) Uani 1 1 d .
O6 O 1.2967(5) 1.0198(5) 0.4347(3) 0.0439(12) Uani 1 1 d .
O7 O 0.7118(4) 0.6923(4) 0.2554(2) 0.0283(10) Uani 1 1 d .
O8 O 0.5656(4) 0.6115(4) 0.3478(3) 0.0332(10) Uani 1 1 d .
O9 O 1.0729(4) 0.6865(4) 0.2461(3) 0.0286(10) Uani 1 1 d .
O10 O 1.1246(4) 0.5135(4) 0.2082(3) 0.0359(11) Uani 1 1 d .
O11 O 0.7545(4) 0.7918(4) 0.1066(3) 0.0256(9) Uani 1 1 d .
O12 O 0.6156(4) 0.6823(4) -0.0157(2) 0.0287(10) Uani 1 1 d .
O13 O 0.3002(6) 0.7066(5) 0.3675(3) 0.0485(13) Uani 1 1 d .
O14 O 0.2522(6) 0.4373(5) 0.3565(4) 0.0692(17) Uani 1 1 d .
O15 O 0.4127(7) 0.4193(6) 0.1882(3) 0.078(2) Uani 1 1 d .
O16 O 0.4358(5) 0.6788(4) 0.1937(3) 0.0424(12) Uani 1 1 d .
O17 O 1.4788(5) 0.8225(4) -0.0780(3) 0.0443(12) Uani 1 1 d .
O18 O 1.4069(5) 1.0458(4) -0.1065(3) 0.0370(11) Uani 1 1 d .
N1 N 1.0037(5) 1.0015(4) 0.1744(3) 0.0234(11) Uani 1 1 d .
N2 N 0.9340(5) 0.8136(4) 0.3711(3) 0.0236(11) Uani 1 1 d .
N3 N 0.8708(5) 0.6234(4) 0.1168(3) 0.0214(10) Uani 1 1 d .
C1 C 1.1731(6) 0.9181(6) 0.0896(4) 0.0270(14) Uani 1 1 d .
C2 C 1.1013(6) 1.0169(6) 0.1150(4) 0.0270(14) Uani 1 1 d .
C3 C 1.1359(8) 1.1157(7) 0.0839(5) 0.051(2) Uani 1 1 d .
H3A H 1.2032 1.1246 0.0423 0.061 Uiso 1 1 calc R
C4 C 1.0683(9) 1.2022(7) 0.1160(6) 0.062(3) Uani 1 1 d .
H4A H 1.0908 1.2706 0.0963 0.075 Uiso 1 1 calc R
C5 C 0.9682(8) 1.1872(6) 0.1767(5) 0.049(2) Uani 1 1 d .
H5A H 0.9223 1.2449 0.1988 0.058 Uiso 1 1 calc R
C6 C 0.9371(6) 1.0845(6) 0.2043(4) 0.0284(14) Uani 1 1 d .
C7 C 0.8287(7) 1.0545(6) 0.2697(4) 0.0292(15) Uani 1 1 d .
C8 C 1.1799(6) 0.9567(5) 0.3889(4) 0.0251(13) Uani 1 1 d .
C9 C 1.0558(6) 0.8778(5) 0.4265(4) 0.0246(13) Uani 1 1 d .
C10 C 1.0616(7) 0.8676(7) 0.5095(4) 0.0414(18) Uani 1 1 d .
H10A H 1.1477 0.9103 0.5468 0.050 Uiso 1 1 calc R
C11 C 0.9388(8) 0.7936(7) 0.5359(4) 0.051(2) Uani 1 1 d .
H11A H 0.9404 0.7872 0.5918 0.061 Uiso 1 1 calc R
C12 C 0.8134(7) 0.7290(6) 0.4800(4) 0.0382(16) Uani 1 1 d .
H12A H 0.7293 0.6790 0.4975 0.046 Uiso 1 1 calc R
C13 C 0.8145(6) 0.7399(5) 0.3972(4) 0.0227(13) Uani 1 1 d .
C14 C 0.6871(6) 0.6748(5) 0.3284(4) 0.0256(13) Uani 1 1 d .
C15 C 1.0535(6) 0.5827(6) 0.1994(4) 0.0244(13) Uani 1 1 d .
C16 C 0.9317(6) 0.5401(5) 0.1262(4) 0.0239(13) Uani 1 1 d .
C17 C 0.8870(7) 0.4266(6) 0.0719(4) 0.0324(15) Uani 1 1 d .
H17A H 0.9309 0.3701 0.0798 0.039 Uiso 1 1 calc R
C18 C 0.7774(7) 0.3982(6) 0.0063(4) 0.0337(15) Uani 1 1 d .
H18A H 0.7446 0.3217 -0.0299 0.040 Uiso 1 1 calc R
C19 C 0.7163(6) 0.4836(5) -0.0055(4) 0.0271(14) Uani 1 1 d .
H19A H 0.6443 0.4670 -0.0507 0.032 Uiso 1 1 calc R
C20 C 0.7650(6) 0.5947(5) 0.0516(3) 0.0208(12) Uani 1 1 d .
C21 C 0.7055(6) 0.6972(5) 0.0464(4) 0.0228(13) Uani 1 1 d .
O19 O 0.4234(5) 0.9145(5) 0.2408(3) 0.0536(14) Uani 1 1 d .
O20 O 0.5774(5) 0.9032(5) 0.3930(3) 0.0524(13) Uani 1 1 d .
O21 O 0.6230(14) 0.2985(12) 0.2439(5) 0.186(5) Uani 1 1 d .
O22 O 0.3230(12) 0.2137(9) 0.3057(8) 0.163(4) Uani 1 1 d .
O23 O 0.5522(9) 0.1924(7) 0.4078(7) 0.138(4) Uani 1 1 d .
O24 O 0.625(2) 0.4380(10) 0.4712(8) 0.117(7) Uani 0.50 1 d P
O25 O 0.9042(16) 0.4030(19) 0.3562(10) 0.143(8) Uani 0.50 1 d P
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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 '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 Yb1 O3 131.09(14) . .
O1 Yb1 O5 79.40(14) . .
O3 Yb1 O5 86.66(15) . .
O1 Yb1 O7 144.52(15) . .
O3 Yb1 O7 76.83(15) . .
O5 Yb1 O7 129.84(13) . .
O1 Yb1 O9 76.03(14) . .
O3 Yb1 O9 145.47(14) . .
O5 Yb1 O9 77.32(14) . .
O7 Yb1 O9 90.20(14) . .
O1 Yb1 O11 88.45(14) . .
O3 Yb1 O11 77.69(14) . .
O5 Yb1 O11 146.07(14) . .
O7 Yb1 O11 75.76(13) . .
O9 Yb1 O11 130.39(14) . .
O1 Yb1 N1 66.03(14) . .
O3 Yb1 N1 65.06(15) . .
O5 Yb1 N1 73.96(15) . .
O7 Yb1 N1 134.16(14) . .
O9 Yb1 N1 135.62(14) . .
O11 Yb1 N1 72.15(14) . .
O1 Yb1 N3 73.48(14) . .
O3 Yb1 N3 135.64(14) . .
O5 Yb1 N3 137.59(14) . .
O7 Yb1 N3 71.07(14) . .
O9 Yb1 N3 64.98(14) . .
O11 Yb1 N3 65.44(14) . .
N1 Yb1 N3 120.93(15) . .
O1 Yb1 N2 135.32(14) . .
O3 Yb1 N2 74.91(15) . .
O5 Yb1 N2 65.08(14) . .
O7 Yb1 N2 64.94(14) . .
O9 Yb1 N2 70.62(15) . .
O11 Yb1 N2 136.00(14) . .
N1 Yb1 N2 123.38(16) . .
N3 Yb1 N2 115.68(16) . .
O10 Mn1 O15 95.37(19) 1_455 .
O10 Mn1 O14 91.9(2) 1_455 .
O15 Mn1 O14 91.4(3) . .
O10 Mn1 O8 176.49(17) 1_455 .
O15 Mn1 O8 87.96(19) . .
O14 Mn1 O8 89.17(19) . .
O10 Mn1 O13 90.05(18) 1_455 .
O15 Mn1 O13 174.0(2) . .
O14 Mn1 O13 91.0(2) . .
O8 Mn1 O13 86.58(18) . .
O10 Mn1 O16 87.79(16) 1_455 .
O15 Mn1 O16 89.0(2) . .
O14 Mn1 O16 179.5(2) . .
O8 Mn1 O16 91.17(16) . .
O13 Mn1 O16 88.63(19) . .
O17 Mn2 O17 180.00(15) 2_875 .
O17 Mn2 O18 91.47(17) 2_875 2_875
O17 Mn2 O18 88.53(17) . 2_875
O17 Mn2 O18 88.53(17) 2_875 .
O17 Mn2 O18 91.47(17) . .
O18 Mn2 O18 180.000(1) 2_875 .
O17 Mn2 O2 88.59(18) 2_875 2_875
O17 Mn2 O2 91.41(18) . 2_875
O18 Mn2 O2 91.32(17) 2_875 2_875
O18 Mn2 O2 88.68(16) . 2_875
O17 Mn2 O2 91.41(18) 2_875 .
O17 Mn2 O2 88.59(18) . .
O18 Mn2 O2 88.68(16) 2_875 .
O18 Mn2 O2 91.32(17) . .
O2 Mn2 O2 180.0 2_875 .
C1 O1 Yb1 124.7(3) . .
C1 O2 Mn2 155.6(4) . .
C7 O3 Yb1 125.3(4) . .
C8 O5 Yb1 125.1(4) . .
C14 O7 Yb1 125.3(4) . .
C14 O8 Mn1 125.4(4) . .
C15 O9 Yb1 124.2(3) . .
C15 O10 Mn1 128.2(4) . 1_655
C21 O11 Yb1 123.9(3) . .
C6 N1 C2 119.4(5) . .
C6 N1 Yb1 120.8(4) . .
C2 N1 Yb1 119.7(4) . .
C13 N2 C9 119.5(5) . .
C13 N2 Yb1 120.3(4) . .
C9 N2 Yb1 120.1(4) . .
C16 N3 C20 118.0(5) . .
C16 N3 Yb1 120.8(4) . .
C20 N3 Yb1 121.0(4) . .
O2 C1 O1 125.9(6) . .
O2 C1 C2 118.5(5) . .
O1 C1 C2 115.6(5) . .
N1 C2 C3 122.0(6) . .
N1 C2 C1 113.7(5) . .
C3 C2 C1 124.3(5) . .
C2 C3 C4 118.4(6) . .
C2 C3 H3A 120.8 . .
C4 C3 H3A 120.8 . .
C5 C4 C3 120.1(6) . .
C5 C4 H4A 120.0 . .
C3 C4 H4A 120.0 . .
C4 C5 C6 118.4(6) . .
C4 C5 H5A 120.8 . .
C6 C5 H5A 120.8 . .
N1 C6 C5 121.7(6) . .
N1 C6 C7 113.6(5) . .
C5 C6 C7 124.7(6) . .
O4 C7 O3 126.0(6) . .
O4 C7 C6 118.7(6) . .
O3 C7 C6 115.2(5) . .
O6 C8 O5 125.6(5) . .
O6 C8 C9 118.8(5) . .
O5 C8 C9 115.6(5) . .
N2 C9 C10 121.2(5) . .
N2 C9 C8 113.7(5) . .
C10 C9 C8 125.2(5) . .
C11 C10 C9 119.0(6) . .
C11 C10 H10A 120.5 . .
C9 C10 H10A 120.5 . .
C10 C11 C12 120.1(6) . .
C10 C11 H11A 119.9 . .
C12 C11 H11A 119.9 . .
C11 C12 C13 118.7(6) . .
C11 C12 H12A 120.7 . .
C13 C12 H12A 120.7 . .
N2 C13 C12 121.5(5) . .
N2 C13 C14 113.3(5) . .
C12 C13 C14 125.1(5) . .
O8 C14 O7 125.6(6) . .
O8 C14 C13 118.5(5) . .
O7 C14 C13 115.9(5) . .
O10 C15 O9 126.4(5) . .
O10 C15 C16 117.8(6) . .
O9 C15 C16 115.8(5) . .
N3 C16 C17 121.9(5) . .
N3 C16 C15 113.8(5) . .
C17 C16 C15 124.2(5) . .
C18 C17 C16 119.3(6) . .
C18 C17 H17A 120.4 . .
C16 C17 H17A 120.4 . .
C17 C18 C19 119.6(6) . .
C17 C18 H18A 120.2 . .
C19 C18 H18A 120.2 . .
C18 C19 C20 118.1(5) . .
C18 C19 H19A 121.0 . .
C20 C19 H19A 121.0 . .
N3 C20 C19 123.0(5) . .
N3 C20 C21 113.4(5) . .
C19 C20 C21 123.5(5) . .
O12 C21 O11 125.7(5) . .
O12 C21 C20 118.2(5) . .
O11 C21 C20 116.1(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O1 2.349(4) .
Yb1 O3 2.364(4) .
Yb1 O5 2.368(4) .
Yb1 O7 2.372(4) .
Yb1 O9 2.408(4) .
Yb1 O11 2.408(4) .
Yb1 N1 2.435(5) .
Yb1 N3 2.448(5) .
Yb1 N2 2.458(5) .
Mn1 O10 2.164(4) 1_455
Mn1 O15 2.175(5) .
Mn1 O14 2.187(5) .
Mn1 O8 2.193(4) .
Mn1 O13 2.204(5) .
Mn1 O16 2.217(5) .
Mn2 O17 2.172(5) 2_875
Mn2 O17 2.172(5) .
Mn2 O18 2.187(4) 2_875
Mn2 O18 2.187(4) .
Mn2 O2 2.189(4) 2_875
Mn2 O2 2.189(4) .
O1 C1 1.266(7) .
O2 C1 1.249(7) .
O3 C7 1.265(8) .
O4 C7 1.246(7) .
O5 C8 1.276(7) .
O6 C8 1.237(7) .
O7 C14 1.266(7) .
O8 C14 1.254(7) .
O9 C15 1.263(7) .
O10 C15 1.248(7) .
O10 Mn1 2.164(4) 1_655
O11 C21 1.272(7) .
O12 C21 1.246(6) .
N1 C6 1.335(8) .
N1 C2 1.339(7) .
N2 C13 1.347(7) .
N2 C9 1.346(7) .
N3 C16 1.338(7) .
N3 C20 1.345(7) .
C1 C2 1.520(8) .
C2 C3 1.367(9) .
C3 C4 1.383(10) .
C3 H3A 0.9300 .
C4 C5 1.369(10) .
C4 H4A 0.9300 .
C5 C6 1.380(9) .
C5 H5A 0.9300 .
C6 C7 1.506(8) .
C8 C9 1.504(8) .
C9 C10 1.386(8) .
C10 C11 1.371(9) .
C10 H10A 0.9300 .
C11 C12 1.373(9) .
C11 H11A 0.9300 .
C12 C13 1.384(8) .
C12 H12A 0.9300 .
C13 C14 1.504(8) .
C15 C16 1.513(8) .
C16 C17 1.383(9) .
C17 C18 1.373(9) .
C17 H17A 0.9300 .
C18 C19 1.374(9) .
C18 H18A 0.9300 .
C19 C20 1.382(8) .
C19 H19A 0.9300 .
C20 C21 1.528(8) .
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
O3 Yb1 O1 C1 -1.6(5) .
O5 Yb1 O1 C1 -77.7(4) .
O7 Yb1 O1 C1 133.0(4) .
O9 Yb1 O1 C1 -157.1(5) .
O11 Yb1 O1 C1 70.5(4) .
N1 Yb1 O1 C1 -0.6(4) .
N3 Yb1 O1 C1 135.3(5) .
N2 Yb1 O1 C1 -114.6(4) .
O17 Mn2 O2 C1 -38.3(10) 2_875
O17 Mn2 O2 C1 141.7(10) .
O18 Mn2 O2 C1 53.1(10) 2_875
O18 Mn2 O2 C1 -126.9(10) .
O2 Mn2 O2 C1 165(100) 2_875
O1 Yb1 O3 C7 -1.0(5) .
O5 Yb1 O3 C7 71.8(5) .
O7 Yb1 O3 C7 -155.9(5) .
O9 Yb1 O3 C7 133.6(4) .
O11 Yb1 O3 C7 -77.9(4) .
N1 Yb1 O3 C7 -2.0(4) .
N3 Yb1 O3 C7 -111.6(5) .
N2 Yb1 O3 C7 136.9(5) .
O1 Yb1 O5 C8 -146.8(5) .
O3 Yb1 O5 C8 80.3(4) .
O7 Yb1 O5 C8 10.5(5) .
O9 Yb1 O5 C8 -68.9(4) .
O11 Yb1 O5 C8 142.3(4) .
N1 Yb1 O5 C8 145.3(5) .
N3 Yb1 O5 C8 -96.2(5) .
N2 Yb1 O5 C8 5.4(4) .
O1 Yb1 O7 C14 132.3(4) .
O3 Yb1 O7 C14 -81.1(5) .
O5 Yb1 O7 C14 -7.0(5) .
O9 Yb1 O7 C14 66.6(5) .
O11 Yb1 O7 C14 -161.5(5) .
N1 Yb1 O7 C14 -114.9(4) .
N3 Yb1 O7 C14 130.0(5) .
N2 Yb1 O7 C14 -1.8(4) .
O10 Mn1 O8 C14 -82(3) 1_455
O15 Mn1 O8 C14 79.7(5) .
O14 Mn1 O8 C14 171.1(5) .
O13 Mn1 O8 C14 -97.8(5) .
O16 Mn1 O8 C14 -9.3(5) .
O1 Yb1 O9 C15 -77.9(4) .
O3 Yb1 O9 C15 135.7(4) .
O5 Yb1 O9 C15 -159.9(4) .
O7 Yb1 O9 C15 69.1(4) .
O11 Yb1 O9 C15 -2.2(5) .
N1 Yb1 O9 C15 -109.3(4) .
N3 Yb1 O9 C15 0.2(4) .
N2 Yb1 O9 C15 132.3(4) .
O1 Yb1 O11 C21 72.1(4) .
O3 Yb1 O11 C21 -155.1(4) .
O5 Yb1 O11 C21 140.4(4) .
O7 Yb1 O11 C21 -75.8(4) .
O9 Yb1 O11 C21 2.0(5) .
N1 Yb1 O11 C21 137.4(4) .
N3 Yb1 O11 C21 -0.4(4) .
N2 Yb1 O11 C21 -102.7(4) .
O1 Yb1 N1 C6 -179.8(5) .
O3 Yb1 N1 C6 -0.7(4) .
O5 Yb1 N1 C6 -94.5(4) .
O7 Yb1 N1 C6 36.1(5) .
O9 Yb1 N1 C6 -146.1(4) .
O11 Yb1 N1 C6 83.8(4) .
N3 Yb1 N1 C6 129.2(4) .
N2 Yb1 N1 C6 -50.1(5) .
O1 Yb1 N1 C2 3.7(4) .
O3 Yb1 N1 C2 -177.1(5) .
O5 Yb1 N1 C2 89.0(4) .
O7 Yb1 N1 C2 -140.4(4) .
O9 Yb1 N1 C2 37.4(5) .
O11 Yb1 N1 C2 -92.7(4) .
N3 Yb1 N1 C2 -47.3(5) .
N2 Yb1 N1 C2 133.4(4) .
O1 Yb1 N2 C13 -139.7(4) .
O3 Yb1 N2 C13 86.3(4) .
O5 Yb1 N2 C13 179.6(5) .
O7 Yb1 N2 C13 4.0(4) .
O9 Yb1 N2 C13 -95.7(4) .
O11 Yb1 N2 C13 32.9(5) .
N1 Yb1 N2 C13 131.8(4) .
N3 Yb1 N2 C13 -47.5(4) .
O1 Yb1 N2 C9 35.1(5) .
O3 Yb1 N2 C9 -99.0(4) .
O5 Yb1 N2 C9 -5.6(4) .
O7 Yb1 N2 C9 178.8(5) .
O9 Yb1 N2 C9 79.1(4) .
O11 Yb1 N2 C9 -152.3(4) .
N1 Yb1 N2 C9 -53.4(5) .
N3 Yb1 N2 C9 127.3(4) .
O1 Yb1 N3 C16 85.3(4) .
O3 Yb1 N3 C16 -142.1(4) .
O5 Yb1 N3 C16 32.8(5) .
O7 Yb1 N3 C16 -96.1(4) .
O9 Yb1 N3 C16 3.3(4) .
O11 Yb1 N3 C16 -178.7(4) .
N1 Yb1 N3 C16 133.1(4) .
N2 Yb1 N3 C16 -47.6(4) .
O1 Yb1 N3 C20 -98.5(4) .
O3 Yb1 N3 C20 34.1(5) .
O5 Yb1 N3 C20 -151.0(3) .
O7 Yb1 N3 C20 80.0(4) .
O9 Yb1 N3 C20 179.5(4) .
O11 Yb1 N3 C20 -2.5(4) .
N1 Yb1 N3 C20 -50.7(4) .
N2 Yb1 N3 C20 128.6(4) .
Mn2 O2 C1 O1 -105.9(11) .
Mn2 O2 C1 C2 74.5(11) .
Yb1 O1 C1 O2 178.3(5) .
Yb1 O1 C1 C2 -2.1(7) .
C6 N1 C2 C3 0.3(9) .
Yb1 N1 C2 C3 176.8(5) .
C6 N1 C2 C1 177.6(5) .
Yb1 N1 C2 C1 -5.9(6) .
O2 C1 C2 N1 -175.2(5) .
O1 C1 C2 N1 5.1(8) .
O2 C1 C2 C3 2.0(10) .
O1 C1 C2 C3 -177.6(6) .
N1 C2 C3 C4 0.6(11) .
C1 C2 C3 C4 -176.4(7) .
C2 C3 C4 C5 -0.6(13) .
C3 C4 C5 C6 -0.2(13) .
C2 N1 C6 C5 -1.2(9) .
Yb1 N1 C6 C5 -177.7(5) .
C2 N1 C6 C7 179.1(5) .
Yb1 N1 C6 C7 2.6(7) .
C4 C5 C6 N1 1.1(11) .
C4 C5 C6 C7 -179.3(7) .
Yb1 O3 C7 O4 -174.4(5) .
Yb1 O3 C7 C6 4.1(7) .
N1 C6 C7 O4 174.4(6) .
C5 C6 C7 O4 -5.2(10) .
N1 C6 C7 O3 -4.2(8) .
C5 C6 C7 O3 176.2(6) .
Yb1 O5 C8 O6 174.7(5) .
Yb1 O5 C8 C9 -4.5(7) .
C13 N2 C9 C10 1.4(9) .
Yb1 N2 C9 C10 -173.4(5) .
C13 N2 C9 C8 -179.6(5) .
Yb1 N2 C9 C8 5.6(6) .
O6 C8 C9 N2 179.7(6) .
O5 C8 C9 N2 -1.0(8) .
O6 C8 C9 C10 -1.3(10) .
O5 C8 C9 C10 178.0(6) .
N2 C9 C10 C11 -2.2(10) .
C8 C9 C10 C11 178.9(7) .
C9 C10 C11 C12 1.3(12) .
C10 C11 C12 C13 0.4(12) .
C9 N2 C13 C12 0.4(9) .
Yb1 N2 C13 C12 175.2(5) .
C9 N2 C13 C14 179.7(5) .
Yb1 N2 C13 C14 -5.5(6) .
C11 C12 C13 N2 -1.2(10) .
C11 C12 C13 C14 179.5(7) .
Mn1 O8 C14 O7 -19.3(9) .
Mn1 O8 C14 C13 158.5(4) .
Yb1 O7 C14 O8 177.6(4) .
Yb1 O7 C14 C13 -0.2(7) .
N2 C13 C14 O8 -174.2(5) .
C12 C13 C14 O8 5.1(9) .
N2 C13 C14 O7 3.8(7) .
C12 C13 C14 O7 -176.9(6) .
Mn1 O10 C15 O9 -21.0(9) 1_655
Mn1 O10 C15 C16 158.9(4) 1_655
Yb1 O9 C15 O10 176.9(4) .
Yb1 O9 C15 C16 -3.1(7) .
C20 N3 C16 C17 -1.0(8) .
Yb1 N3 C16 C17 175.3(4) .
C20 N3 C16 C15 177.9(5) .
Yb1 N3 C16 C15 -5.8(6) .
O10 C15 C16 N3 -174.2(5) .
O9 C15 C16 N3 5.7(7) .
O10 C15 C16 C17 4.6(8) .
O9 C15 C16 C17 -175.4(5) .
N3 C16 C17 C18 0.1(9) .
C15 C16 C17 C18 -178.6(5) .
C16 C17 C18 C19 1.5(9) .
C17 C18 C19 C20 -2.1(9) .
C16 N3 C20 C19 0.3(8) .
Yb1 N3 C20 C19 -176.0(4) .
C16 N3 C20 C21 -179.1(4) .
Yb1 N3 C20 C21 4.6(6) .
C18 C19 C20 N3 1.3(8) .
C18 C19 C20 C21 -179.4(5) .
Yb1 O11 C21 O12 -176.4(4) .
Yb1 O11 C21 C20 2.8(6) .
N3 C20 C21 O12 174.6(5) .
C19 C20 C21 O12 -4.8(8) .
N3 C20 C21 O11 -4.8(7) .
C19 C20 C21 O11 175.8(5) .
