#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:47:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179306 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/03/4320300.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_4320300
loop_
_publ_author_name
'Anna C. Hillier'
'XingWang Zhang'
'Graham H. Maunder'
'Sung Ying Liu'
'Todd A. Eberspacher'
'Mathew V. Metz'
'Robert McDonald'
'Ângela Domingos'
'Noémia Marques'
'Victor W. Day'
'Andrea Sella'
'Josef Takats'
_publ_contact_author_address
; Department of Chemistry
   University of Alberta
   Edmonton Alberta T6G 2G2
   Canada
;
_publ_contact_author_email       joe.takats@ualberta.ca
_publ_contact_author_fax         1(780)4928231
_publ_contact_author_name        'Dr Josef Takats'
_publ_contact_author_phone       1(780)4924944
_publ_section_title
;
 Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2
 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4)
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5106
_journal_page_last               5116
_journal_paper_doi               10.1021/ic010325w
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C54 H44 B2 N12 Yb'
_chemical_formula_weight         1055.67
_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           'manual editing of SHELXL template'
_cell_angle_alpha                63.51(2)
_cell_angle_beta                 82.61(2)
_cell_angle_gamma                66.58(2)
_cell_formula_units_Z            1
_cell_length_a                   10.683(3)
_cell_length_b                   11.029(3)
_cell_length_c                   12.249(3)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.72
_cell_measurement_theta_min      20.24
_cell_volume                     1183.2(6)
_computing_cell_refinement       'Syntex P1'
_computing_data_collection       'Syntex P1'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Syntex P1 Diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0290
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4555
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    2.028
_exptl_absorpt_correction_T_max  0.7431
_exptl_absorpt_correction_T_min  0.5263
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_description       'rectangular parallelepiped'
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.480
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       0.0179(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.073
_refine_ls_goodness_of_fit_obs   1.074
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         4332
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_restrained_S_obs      1.074
_refine_ls_R_factor_all          0.0249
_refine_ls_R_factor_obs          0.0246
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0347P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0589
_refine_ls_wR_factor_obs         0.0587
_reflns_number_observed          4303
_reflns_number_total             4332
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic010325w_06.cif
_cod_data_source_block           jtd5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0347P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0347P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1183.2(5)
_cod_database_code               4320300
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Yb Yb 0.0000 0.0000 0.0000 0.03880(8) Uani 1 d S .
N11 N 0.2768(3) 0.0300(3) 0.0610(2) 0.0494(6) Uani 1 d . .
N12 N 0.2497(2) -0.0789(3) 0.0557(2) 0.0441(6) Uani 1 d . .
N21 N 0.1133(3) 0.2698(3) -0.1062(2) 0.0492(6) Uani 1 d . .
N22 N 0.0235(3) 0.2383(2) -0.1497(2) 0.0448(6) Uani 1 d . .
N31 N 0.0628(3) 0.1929(3) 0.1188(2) 0.0481(6) Uani 1 d . .
N32 N -0.0183(2) 0.1139(2) 0.1479(2) 0.0439(6) Uani 1 d . .
C13 C 0.3625(3) -0.2032(3) 0.1063(3) 0.0449(7) Uani 1 d . .
C14 C 0.4595(3) -0.1723(4) 0.1433(4) 0.0669(10) Uani 1 d . .
H14 H 0.5460(3) -0.2377(4) 0.1802(4) 0.080 Uiso 1 calc R .
C15 C 0.4014(4) -0.0261(4) 0.1143(4) 0.0672(10) Uani 1 d . .
H15 H 0.4419(4) 0.0262(4) 0.1292(4) 0.081 Uiso 1 calc R .
C1A C 0.3738(3) -0.3472(3) 0.1206(3) 0.0463(7) Uani 1 d . .
C1B C 0.2950(4) -0.3628(4) 0.0517(4) 0.0640(9) Uani 1 d . .
H1B H 0.2316(4) -0.2796(4) -0.0074(4) 0.077 Uiso 1 calc R .
C1C C 0.3082(5) -0.5005(4) 0.0688(4) 0.0785(12) Uani 1 d . .
H1C H 0.2523(5) -0.5086(4) 0.0222(4) 0.094 Uiso 1 calc R .
C1D C 0.4025(5) -0.6243(4) 0.1534(4) 0.0825(12) Uani 1 d . .
H1D H 0.4124(5) -0.7166(4) 0.1638(4) 0.099 Uiso 1 calc R .
C1E C 0.4818(5) -0.6101(4) 0.2223(4) 0.0880(14) Uani 1 d . .
H1E H 0.5456(5) -0.6937(4) 0.2808(4) 0.106 Uiso 1 calc R .
C1F C 0.4686(4) -0.4731(4) 0.2065(3) 0.0684(10) Uani 1 d . .
H1F H 0.5239(4) -0.4657(4) 0.2541(3) 0.082 Uiso 1 calc R .
C23 C -0.0223(3) 0.3487(3) -0.2620(3) 0.0477(7) Uani 1 d . .
C24 C 0.0388(4) 0.4491(4) -0.2890(3) 0.0626(9) Uani 1 d . .
H24 H 0.0252(4) 0.5347(4) -0.3604(3) 0.075 Uiso 1 calc R .
C25 C 0.1223(4) 0.3956(3) -0.1892(3) 0.0588(8) Uani 1 d . .
H25 H 0.1765(4) 0.4393(3) -0.1803(3) 0.071 Uiso 1 calc R .
C2A C -0.1226(3) 0.3588(3) -0.3403(3) 0.0492(7) Uani 1 d . .
C2B C -0.1410(4) 0.2363(4) -0.3283(3) 0.0610(9) Uani 1 d . .
H2B H -0.0877(4) 0.1444(4) -0.2696(3) 0.073 Uiso 1 calc R .
C2C C -0.2368(4) 0.2473(5) -0.4013(4) 0.0727(11) Uani 1 d . .
H2C H -0.2478(4) 0.1635(5) -0.3914(4) 0.087 Uiso 1 calc R .
C2D C -0.3160(4) 0.3825(6) -0.4889(4) 0.0820(12) Uani 1 d . .
H2D H -0.3806(4) 0.3905(6) -0.5385(4) 0.098 Uiso 1 calc R .
C2E C -0.2992(5) 0.5043(5) -0.5024(4) 0.0870(13) Uani 1 d . .
H2E H -0.3522(5) 0.5955(5) -0.5621(4) 0.104 Uiso 1 calc R .
C2F C -0.2047(4) 0.4942(4) -0.4287(3) 0.0722(11) Uani 1 d . .
H2F H -0.1958(4) 0.5789(4) -0.4383(3) 0.087 Uiso 1 calc R .
C33 C -0.0865(3) 0.1280(3) 0.2448(3) 0.0489(7) Uani 1 d . .
C34 C -0.0508(4) 0.2181(4) 0.2756(4) 0.0669(10) Uani 1 d . .
H34 H -0.0843(4) 0.2468(4) 0.3379(4) 0.080 Uiso 1 calc R .
C35 C 0.0426(4) 0.2548(4) 0.1963(4) 0.0650(10) Uani 1 d . .
H35 H 0.0860(4) 0.3135(4) 0.1952(4) 0.078 Uiso 1 calc R .
C3A C -0.1770(3) 0.0497(3) 0.3096(3) 0.0495(7) Uani 1 d . .
C3B C -0.2475(3) 0.0091(4) 0.2533(3) 0.0578(8) Uani 1 d . .
H3B H -0.2397(3) 0.0330(4) 0.1704(3) 0.069 Uiso 1 calc R .
C3C C -0.3291(4) -0.0663(4) 0.3190(4) 0.0735(11) Uani 1 d . .
H3C H -0.3748(4) -0.0938(4) 0.2800(4) 0.088 Uiso 1 calc R .
C3D C -0.3440(4) -0.1017(5) 0.4419(5) 0.0810(12) Uani 1 d . .
H3D H -0.3998(4) -0.1520(5) 0.4857(5) 0.097 Uiso 1 calc R .
C3E C -0.2752(5) -0.0614(6) 0.4979(4) 0.0881(13) Uani 1 d . .
H3E H -0.2850(5) -0.0840(6) 0.5804(4) 0.106 Uiso 1 calc R .
C3F C -0.1916(5) 0.0121(5) 0.4338(4) 0.0739(11) Uani 1 d . .
H3F H -0.1443(5) 0.0369(5) 0.4739(4) 0.089 Uiso 1 calc R .
B1 B 0.1747(4) 0.1895(4) 0.0261(4) 0.0502(8) Uani 1 d . .
H1 H 0.2306(30) 0.2471(32) 0.0335(27) 0.045(8) Uiso 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'
B B 0.0013 0.0007 '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
_geom_angle_publ_flag
N12 Yb N12 180.0 . 2 ?
N12 Yb N22 83.43(8) . . ?
N12 Yb N22 96.57(8) 2 . ?
N12 Yb N22 96.57(8) . 2 ?
N12 Yb N22 83.43(8) 2 2 ?
N22 Yb N22 180.0 . 2 ?
N12 Yb N32 78.50(8) . . ?
N12 Yb N32 101.50(8) 2 . ?
N22 Yb N32 80.74(8) . . ?
N22 Yb N32 99.26(8) 2 . ?
N12 Yb N32 101.50(8) . 2 ?
N12 Yb N32 78.50(8) 2 2 ?
N22 Yb N32 99.26(8) . 2 ?
N22 Yb N32 80.74(8) 2 2 ?
N32 Yb N32 180.0 . 2 ?
N21 B1 N31 111.7(3) . . ?
N21 B1 N11 113.4(3) . . ?
N31 B1 N11 110.2(3) . . ?
C15 N11 N12 109.6(3) . . ?
C15 N11 B1 123.9(3) . . ?
N12 N11 B1 126.1(2) . . ?
C13 N12 N11 106.0(2) . . ?
C13 N12 Yb 139.7(2) . . ?
N11 N12 Yb 112.5(2) . . ?
N12 C13 C14 109.6(3) . . ?
N12 C13 C1A 123.2(3) . . ?
C14 C13 C1A 127.2(3) . . ?
C15 C14 C13 105.7(3) . . ?
N11 C15 C14 109.0(3) . . ?
C1B C1A C1F 117.9(3) . . ?
C1B C1A C13 123.0(3) . . ?
C1F C1A C13 119.1(3) . . ?
C1A C1B C1C 121.1(3) . . ?
C1D C1C C1B 120.6(4) . . ?
C1E C1D C1C 118.8(4) . . ?
C1D C1E C1F 121.0(4) . . ?
C1A C1F C1E 120.5(4) . . ?
C25 N21 N22 110.0(3) . . ?
C25 N21 B1 123.8(3) . . ?
N22 N21 B1 125.4(2) . . ?
C23 N22 N21 106.0(2) . . ?
C23 N22 Yb 141.3(2) . . ?
N21 N22 Yb 112.7(2) . . ?
N22 C23 C24 109.5(3) . . ?
N22 C23 C2A 123.8(3) . . ?
C24 C23 C2A 126.7(3) . . ?
C25 C24 C23 105.8(3) . . ?
N21 C25 C24 108.7(3) . . ?
C2B C2A C2F 117.5(3) . . ?
C2B C2A C23 122.0(3) . . ?
C2F C2A C23 120.5(3) . . ?
C2C C2B C2A 121.5(3) . . ?
C2D C2C C2B 119.8(4) . . ?
C2E C2D C2C 119.6(4) . . ?
C2D C2E C2F 120.9(4) . . ?
C2E C2F C2A 120.7(4) . . ?
C35 N31 N32 109.1(3) . . ?
C35 N31 B1 125.9(3) . . ?
N32 N31 B1 124.4(2) . . ?
C33 N32 N31 106.2(2) . . ?
C33 N32 Yb 141.1(2) . . ?
N31 N32 Yb 112.6(2) . . ?
N32 C33 C34 109.7(3) . . ?
N32 C33 C3A 123.0(3) . . ?
C34 C33 C3A 127.2(3) . . ?
C35 C34 C33 105.7(3) . . ?
N31 C35 C34 109.3(3) . . ?
C3B C3A C3F 117.9(3) . . ?
C3B C3A C33 123.1(3) . . ?
C3F C3A C33 119.0(3) . . ?
C3C C3B C3A 120.6(4) . . ?
C3B C3C C3D 121.0(4) . . ?
C3E C3D C3C 118.7(4) . . ?
C3D C3E C3F 121.0(4) . . ?
C3E C3F C3A 120.8(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Yb N12 2.536(2) . ?
Yb N12 2.536(2) 2 ?
Yb N22 2.537(2) . ?
Yb N22 2.537(2) 2 ?
Yb N32 2.577(2) . ?
Yb N32 2.577(2) 2 ?
B1 N21 1.540(4) . ?
B1 N31 1.541(5) . ?
B1 N11 1.546(4) . ?
N11 C15 1.339(4) . ?
N11 N12 1.372(3) . ?
N12 C13 1.355(4) . ?
C13 C14 1.391(4) . ?
C13 C1A 1.474(4) . ?
C14 C15 1.364(5) . ?
C1A C1B 1.370(5) . ?
C1A C1F 1.383(4) . ?
C1B C1C 1.388(5) . ?
C1C C1D 1.366(6) . ?
C1D C1E 1.365(6) . ?
C1E C1F 1.385(6) . ?
N21 C25 1.338(4) . ?
N21 N22 1.374(3) . ?
N22 C23 1.349(4) . ?
C23 C24 1.398(5) . ?
C23 C2A 1.467(4) . ?
C24 C25 1.363(5) . ?
C2A C2B 1.383(5) . ?
C2A C2F 1.390(4) . ?
C2B C2C 1.379(5) . ?
C2C C2D 1.376(6) . ?
C2D C2E 1.360(7) . ?
C2E C2F 1.379(6) . ?
N31 C35 1.350(4) . ?
N31 N32 1.372(3) . ?
N32 C33 1.347(4) . ?
C33 C34 1.396(4) . ?
C33 C3A 1.471(5) . ?
C34 C35 1.351(6) . ?
C3A C3B 1.386(4) . ?
C3A C3F 1.391(5) . ?
C3B C3C 1.378(5) . ?
C3C C3D 1.382(6) . ?
C3D C3E 1.367(6) . ?
C3E C3F 1.379(6) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N21 B1 N11 C15 130.6(3) . . . . ?
N31 B1 N11 C15 -103.4(4) . . . . ?
N21 B1 N11 N12 -57.3(4) . . . . ?
N31 B1 N11 N12 68.7(4) . . . . ?
C15 N11 N12 C13 -0.7(4) . . . . ?
B1 N11 N12 C13 -173.7(3) . . . . ?
C15 N11 N12 Yb 167.4(2) . . . . ?
B1 N11 N12 Yb -5.6(4) . . . . ?
N12 Yb N12 C13 -31.0(1000) 2 . . . ?
N22 Yb N12 C13 -156.8(3) . . . . ?
N22 Yb N12 C13 23.2(3) 2 . . . ?
N32 Yb N12 C13 121.4(3) . . . . ?
N32 Yb N12 C13 -58.6(3) 2 . . . ?
N12 Yb N12 N11 166.9(1000) 2 . . . ?
N22 Yb N12 N11 41.1(2) . . . . ?
N22 Yb N12 N11 -138.9(2) 2 . . . ?
N32 Yb N12 N11 -40.8(2) . . . . ?
N32 Yb N12 N11 139.2(2) 2 . . . ?
N11 N12 C13 C14 0.2(4) . . . . ?
Yb N12 C13 C14 -162.7(3) . . . . ?
N11 N12 C13 C1A 178.7(3) . . . . ?
Yb N12 C13 C1A 15.8(5) . . . . ?
N12 C13 C14 C15 0.4(4) . . . . ?
C1A C13 C14 C15 -178.0(3) . . . . ?
N12 N11 C15 C14 1.0(4) . . . . ?
B1 N11 C15 C14 174.2(3) . . . . ?
C13 C14 C15 N11 -0.8(5) . . . . ?
N12 C13 C1A C1B 21.9(5) . . . . ?
C14 C13 C1A C1B -159.9(4) . . . . ?
N12 C13 C1A C1F -158.6(3) . . . . ?
C14 C13 C1A C1F 19.6(5) . . . . ?
C1F C1A C1B C1C 1.0(6) . . . . ?
C13 C1A C1B C1C -179.5(4) . . . . ?
C1A C1B C1C C1D -1.3(7) . . . . ?
C1B C1C C1D C1E 1.1(7) . . . . ?
C1C C1D C1E C1F -0.7(8) . . . . ?
C1B C1A C1F C1E -0.5(6) . . . . ?
C13 C1A C1F C1E 180.0(4) . . . . ?
C1D C1E C1F C1A 0.3(7) . . . . ?
N31 B1 N21 C25 112.0(3) . . . . ?
N11 B1 N21 C25 -122.8(3) . . . . ?
N31 B1 N21 N22 -56.3(4) . . . . ?
N11 B1 N21 N22 68.9(4) . . . . ?
C25 N21 N22 C23 0.0(3) . . . . ?
B1 N21 N22 C23 169.7(3) . . . . ?
C25 N21 N22 Yb 179.5(2) . . . . ?
B1 N21 N22 Yb -10.8(3) . . . . ?
N12 Yb N22 C23 145.9(3) . . . . ?
N12 Yb N22 C23 -34.1(3) 2 . . . ?
N22 Yb N22 C23 -149.7(1000) 2 . . . ?
N32 Yb N22 C23 -134.7(3) . . . . ?
N32 Yb N22 C23 45.3(3) 2 . . . ?
N12 Yb N22 N21 -33.3(2) . . . . ?
N12 Yb N22 N21 146.7(2) 2 . . . ?
N22 Yb N22 N21 31.1(1000) 2 . . . ?
N32 Yb N22 N21 46.1(2) . . . . ?
N32 Yb N22 N21 -133.9(2) 2 . . . ?
N21 N22 C23 C24 0.1(3) . . . . ?
Yb N22 C23 C24 -179.1(2) . . . . ?
N21 N22 C23 C2A -179.1(3) . . . . ?
Yb N22 C23 C2A 1.7(5) . . . . ?
N22 C23 C24 C25 -0.2(4) . . . . ?
C2A C23 C24 C25 179.0(3) . . . . ?
N22 N21 C25 C24 -0.1(4) . . . . ?
B1 N21 C25 C24 -170.0(3) . . . . ?
C23 C24 C25 N21 0.2(4) . . . . ?
N22 C23 C2A C2B -24.4(5) . . . . ?
C24 C23 C2A C2B 156.5(4) . . . . ?
N22 C23 C2A C2F 154.5(3) . . . . ?
C24 C23 C2A C2F -24.6(5) . . . . ?
C2F C2A C2B C2C 0.2(5) . . . . ?
C23 C2A C2B C2C 179.1(3) . . . . ?
C2A C2B C2C C2D 0.3(6) . . . . ?
C2B C2C C2D C2E -0.1(7) . . . . ?
C2C C2D C2E C2F -0.6(7) . . . . ?
C2D C2E C2F C2A 1.1(7) . . . . ?
C2B C2A C2F C2E -1.0(6) . . . . ?
C23 C2A C2F C2E -179.9(4) . . . . ?
N21 B1 N31 C35 -118.6(3) . . . . ?
N11 B1 N31 C35 114.4(3) . . . . ?
N21 B1 N31 N32 71.9(3) . . . . ?
N11 B1 N31 N32 -55.1(4) . . . . ?
C35 N31 N32 C33 -0.6(3) . . . . ?
B1 N31 N32 C33 170.4(3) . . . . ?
C35 N31 N32 Yb 177.0(2) . . . . ?
B1 N31 N32 Yb -12.0(3) . . . . ?
N12 Yb N32 C33 -133.7(3) . . . . ?
N12 Yb N32 C33 46.3(3) 2 . . . ?
N22 Yb N32 C33 141.2(3) . . . . ?
N22 Yb N32 C33 -38.8(3) 2 . . . ?
N32 Yb N32 C33 -85.4(195) 2 . . . ?
N12 Yb N32 N31 50.0(2) . . . . ?
N12 Yb N32 N31 -130.0(2) 2 . . . ?
N22 Yb N32 N31 -35.2(2) . . . . ?
N22 Yb N32 N31 144.8(2) 2 . . . ?
N32 Yb N32 N31 98.3(194) 2 . . . ?
N31 N32 C33 C34 1.1(3) . . . . ?
Yb N32 C33 C34 -175.3(2) . . . . ?
N31 N32 C33 C3A -175.3(3) . . . . ?
Yb N32 C33 C3A 8.3(5) . . . . ?
N32 C33 C34 C35 -1.2(4) . . . . ?
C3A C33 C34 C35 175.0(3) . . . . ?
N32 N31 C35 C34 -0.2(4) . . . . ?
B1 N31 C35 C34 -171.0(3) . . . . ?
C33 C34 C35 N31 0.8(4) . . . . ?
N32 C33 C3A C3B -29.2(4) . . . . ?
C34 C33 C3A C3B 155.1(4) . . . . ?
N32 C33 C3A C3F 149.8(3) . . . . ?
C34 C33 C3A C3F -25.9(5) . . . . ?
C3F C3A C3B C3C -0.1(5) . . . . ?
C33 C3A C3B C3C 178.9(3) . . . . ?
C3A C3B C3C C3D 0.8(6) . . . . ?
C3B C3C C3D C3E -0.5(6) . . . . ?
C3C C3D C3E C3F -0.5(7) . . . . ?
C3D C3E C3F C3A 1.2(7) . . . . ?
C3B C3A C3F C3E -0.9(6) . . . . ?
C33 C3A C3F C3E -179.9(4) . . . . ?
