#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:03:57 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180121 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/19/7101912.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_7101912
loop_
_publ_author_name
'Pi, Chengfu'
'Zhu, Zhenyu'
'Weng, Linhong'
'Chen, Zhenxia'
'Zhou, Xigeng'
_publ_section_title
;
 Synthesis and structural characterization of lanthanide complexes with
 the di- or tri-anionic diguanidinate ligand: new insight into the
 flexibility and distinct reactivity of the linked diguanidinate
 ligand.
;
_journal_issue                   21
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2190
_journal_page_last               2192
_journal_paper_doi               10.1039/b618151a
_journal_year                    2007
_chemical_formula_sum            'C46 H68 N7 O Yb2'
_chemical_formula_weight         1081.15
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.652(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.734(7)
_cell_length_b                   9.805(4)
_cell_length_c                   26.843(10)
_cell_measurement_reflns_used    928
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.340
_cell_measurement_theta_min      2.619
_cell_volume                     4672(3)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0549
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            18894
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.60
_diffrn_standards_decay_%        9.51
_exptl_absorpt_coefficient_mu    4.019
_exptl_absorpt_correction_T_max  0.6893
_exptl_absorpt_correction_T_min  0.2962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2164
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.194
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         8232
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0383
_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)+(0.0385P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0842
_reflns_number_gt                6216
_reflns_number_total             8232
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b618151a.txt
_cod_data_source_block           f60417d
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7101912
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.204963(13) 0.16604(3) 0.286869(9) 0.04270(9) Uani 1 1 d .
Yb2 Yb 0.326227(15) 0.25110(3) 0.532334(9) 0.04914(9) Uani 1 1 d .
N1 N 0.2721(2) -0.0381(5) 0.31882(16) 0.0411(11) Uani 1 1 d .
N2 N 0.2707(2) 0.1251(5) 0.37801(16) 0.0389(11) Uani 1 1 d .
N3 N 0.2580(3) -0.1890(5) 0.25077(18) 0.0553(14) Uani 1 1 d .
N4 N 0.2557(3) -0.2934(6) 0.1745(2) 0.0723(17) Uani 1 1 d .
H4B H 0.2772 -0.3483 0.1587 0.087 Uiso 1 1 calc R
N5 N 0.3691(3) -0.2790(7) 0.2403(2) 0.0767(19) Uani 1 1 d .
H5B H 0.3945 -0.2465 0.2705 0.092 Uiso 1 1 calc R
N6 N 0.2432(3) 0.1566(5) 0.45882(17) 0.0481(12) Uani 1 1 d .
N7 N 0.3545(3) 0.2316(5) 0.45608(17) 0.0439(12) Uani 1 1 d .
C1 C 0.0630(4) 0.1492(12) 0.2852(4) 0.095(3) Uani 1 1 d .
H1A H 0.0405 0.1999 0.3079 0.114 Uiso 1 1 calc R
C2 C 0.0609(4) 0.1870(10) 0.2343(5) 0.104(3) Uani 1 1 d .
H2A H 0.0356 0.2673 0.2148 0.125 Uiso 1 1 calc R
C3 C 0.0853(4) 0.0738(12) 0.2132(3) 0.088(3) Uani 1 1 d .
H3A H 0.0811 0.0624 0.1761 0.105 Uiso 1 1 calc R
C4 C 0.1029(3) -0.0250(9) 0.2493(3) 0.073(2) Uani 1 1 d .
H4A H 0.1137 -0.1199 0.2428 0.087 Uiso 1 1 calc R
C5 C 0.0894(4) 0.0212(10) 0.2931(3) 0.077(2) Uani 1 1 d .
H5A H 0.0898 -0.0358 0.3232 0.093 Uiso 1 1 calc R
C6 C 0.2873(10) 0.3470(11) 0.2578(6) 0.131(5) Uani 1 1 d .
H6A H 0.2982 0.4399 0.2716 0.158 Uiso 1 1 calc R
C7 C 0.2293(7) 0.3089(14) 0.2122(5) 0.113(4) Uani 1 1 d .
H7A H 0.1933 0.3709 0.1884 0.135 Uiso 1 1 calc R
C8 C 0.2433(6) 0.1823(13) 0.2015(3) 0.092(3) Uani 1 1 d .
H8A H 0.2175 0.1350 0.1684 0.110 Uiso 1 1 calc R
C9 C 0.3051(6) 0.1381(11) 0.2374(5) 0.095(3) Uani 1 1 d .
H9A H 0.3312 0.0529 0.2351 0.114 Uiso 1 1 calc R
C10 C 0.3328(5) 0.2366(16) 0.2736(4) 0.106(4) Uani 1 1 d .
H10A H 0.3824 0.2362 0.3008 0.127 Uiso 1 1 calc R
C11 C 0.2971(3) -0.0007(6) 0.3710(2) 0.0386(13) Uani 1 1 d .
C12 C 0.3436(3) -0.0855(6) 0.4087(2) 0.0499(15) Uani 1 1 d .
H12A H 0.3619 -0.0586 0.4437 0.060 Uiso 1 1 calc R
C13 C 0.3622(4) -0.2098(6) 0.3933(2) 0.0558(17) Uani 1 1 d .
H13A H 0.3926 -0.2690 0.4182 0.067 Uiso 1 1 calc R
C14 C 0.3365(3) -0.2478(6) 0.3414(2) 0.0561(17) Uani 1 1 d .
H14A H 0.3494 -0.3327 0.3315 0.067 Uiso 1 1 calc R
C15 C 0.2912(3) -0.1603(7) 0.3037(2) 0.0480(14) Uani 1 1 d .
C16 C 0.2947(4) -0.2527(7) 0.2237(3) 0.0603(18) Uani 1 1 d .
C17 C 0.1769(4) -0.2481(10) 0.1458(3) 0.086(3) Uani 1 1 d .
H17A H 0.1707 -0.1539 0.1559 0.104 Uiso 1 1 calc R
C18 C 0.1255(6) -0.3293(13) 0.1585(4) 0.152(5) Uani 1 1 d .
H18A H 0.1336 -0.3236 0.1956 0.227 Uiso 1 1 calc R
H18B H 0.1316 -0.4221 0.1492 0.227 Uiso 1 1 calc R
H18C H 0.0754 -0.2989 0.1396 0.227 Uiso 1 1 calc R
C19 C 0.1677(6) -0.2517(11) 0.0883(3) 0.132(4) Uani 1 1 d .
H19A H 0.1175 -0.2240 0.0685 0.198 Uiso 1 1 calc R
H19B H 0.1765 -0.3427 0.0784 0.198 Uiso 1 1 calc R
H19C H 0.2033 -0.1906 0.0811 0.198 Uiso 1 1 calc R
C20 C 0.4112(4) -0.3550(7) 0.2132(3) 0.0636(18) Uani 1 1 d .
H20A H 0.3785 -0.4279 0.1934 0.076 Uiso 1 1 calc R
C21 C 0.4359(5) -0.2718(9) 0.1750(3) 0.100(3) Uani 1 1 d .
H21A H 0.3926 -0.2308 0.1499 0.150 Uiso 1 1 calc R
H21B H 0.4611 -0.3294 0.1570 0.150 Uiso 1 1 calc R
H21C H 0.4697 -0.2016 0.1935 0.150 Uiso 1 1 calc R
C22 C 0.4768(4) -0.4212(10) 0.2539(3) 0.101(3) Uani 1 1 d .
H22A H 0.4588 -0.4727 0.2779 0.152 Uiso 1 1 calc R
H22B H 0.5110 -0.3521 0.2729 0.152 Uiso 1 1 calc R
H22C H 0.5023 -0.4811 0.2369 0.152 Uiso 1 1 calc R
C23 C 0.2904(3) 0.1705(6) 0.4305(2) 0.0400(13) Uani 1 1 d .
C24 C 0.1712(4) 0.0868(8) 0.4384(3) 0.0661(19) Uani 1 1 d .
H24A H 0.1521 0.1004 0.4002 0.079 Uiso 1 1 calc R
C25 C 0.1785(5) -0.0662(10) 0.4491(4) 0.108(3) Uani 1 1 d .
H25A H 0.2132 -0.1044 0.4333 0.162 Uiso 1 1 calc R
H25B H 0.1302 -0.1087 0.4345 0.162 Uiso 1 1 calc R
H25C H 0.1969 -0.0817 0.4864 0.162 Uiso 1 1 calc R
C26 C 0.1163(4) 0.1472(10) 0.4615(4) 0.116(4) Uani 1 1 d .
H26A H 0.1116 0.2432 0.4540 0.173 Uiso 1 1 calc R
H26B H 0.1337 0.1336 0.4989 0.173 Uiso 1 1 calc R
H26C H 0.0682 0.1041 0.4466 0.173 Uiso 1 1 calc R
C27 C 0.4119(3) 0.2561(7) 0.4313(2) 0.0514(15) Uani 1 1 d .
H27A H 0.4046 0.1916 0.4022 0.062 Uiso 1 1 calc R
C28 C 0.4070(4) 0.3982(9) 0.4103(3) 0.091(3) Uani 1 1 d .
H28A H 0.3584 0.4122 0.3846 0.137 Uiso 1 1 calc R
H28B H 0.4454 0.4115 0.3941 0.137 Uiso 1 1 calc R
H28C H 0.4142 0.4621 0.4385 0.137 Uiso 1 1 calc R
C29 C 0.4891(4) 0.2323(8) 0.4713(3) 0.084(2) Uani 1 1 d .
H29A H 0.4918 0.1413 0.4849 0.127 Uiso 1 1 calc R
H29B H 0.4973 0.2966 0.4995 0.127 Uiso 1 1 calc R
H29C H 0.5271 0.2441 0.4546 0.127 Uiso 1 1 calc R
C30 C 0.3045(5) 0.5091(8) 0.5075(3) 0.083(2) Uani 1 1 d .
H30A H 0.3100 0.5526 0.4761 0.099 Uiso 1 1 calc R
C31 C 0.2386(5) 0.4641(8) 0.5135(3) 0.080(2) Uani 1 1 d .
H31A H 0.1891 0.4691 0.4865 0.096 Uiso 1 1 calc R
C32 C 0.2511(5) 0.4295(9) 0.5657(3) 0.091(3) Uani 1 1 d .
H32A H 0.2119 0.4093 0.5816 0.109 Uiso 1 1 calc R
C33 C 0.3249(6) 0.4587(8) 0.5926(3) 0.091(3) Uani 1 1 d .
H33A H 0.3471 0.4594 0.6310 0.109 Uiso 1 1 calc R
C34 C 0.3599(5) 0.5050(8) 0.5583(4) 0.098(3) Uani 1 1 d .
H34A H 0.4103 0.5453 0.5679 0.118 Uiso 1 1 calc R
C35 C 0.3174(5) 0.0531(11) 0.5943(4) 0.097(3) Uani 1 1 d .
H35A H 0.2707 0.0155 0.5977 0.116 Uiso 1 1 calc R
C36 C 0.3633(6) 0.1489(10) 0.6276(3) 0.093(3) Uani 1 1 d .
H36A H 0.3544 0.1914 0.6581 0.111 Uiso 1 1 calc R
C37 C 0.4288(5) 0.1547(10) 0.6152(3) 0.095(3) Uani 1 1 d .
H37A H 0.4744 0.2036 0.6357 0.114 Uiso 1 1 calc R
C38 C 0.4250(6) 0.0638(11) 0.5763(3) 0.091(3) Uani 1 1 d .
H38A H 0.4674 0.0373 0.5645 0.109 Uiso 1 1 calc R
C39 C 0.3577(7) -0.0009(9) 0.5629(3) 0.101(3) Uani 1 1 d .
H39A H 0.3438 -0.0820 0.5406 0.121 Uiso 1 1 calc R
C40 C 0.1843(5) 0.4197(9) 0.3707(3) 0.101(3) Uani 1 1 d .
H40A H 0.2363 0.4144 0.3931 0.122 Uiso 1 1 calc R
H40B H 0.1545 0.3584 0.3845 0.122 Uiso 1 1 calc R
O1 O 0.1787(3) 0.3829(4) 0.32032(16) 0.0668(13) Uani 1 1 d .
C41 C 0.1568(7) 0.5583(11) 0.3698(4) 0.158(5) Uani 1 1 d .
H41A H 0.1135 0.5596 0.3822 0.189 Uiso 1 1 calc R
H41B H 0.1957 0.6153 0.3929 0.189 Uiso 1 1 calc R
C42 C 0.1365(5) 0.6088(9) 0.3191(4) 0.094(3) Uani 1 1 d .
H42A H 0.0865 0.6488 0.3089 0.113 Uiso 1 1 calc R
H42B H 0.1721 0.6770 0.3157 0.113 Uiso 1 1 calc R
C43 C 0.1379(8) 0.4950(10) 0.2891(4) 0.170(6) Uani 1 1 d .
H43A H 0.1612 0.5188 0.2628 0.203 Uiso 1 1 calc R
H43B H 0.0866 0.4664 0.2708 0.203 Uiso 1 1 calc R
C44 C 0.0182(6) 0.4359(13) 0.5114(5) 0.154(6) Uani 1 1 d .
H44A H 0.0717 0.4534 0.5269 0.185 Uiso 1 1 calc R
H44B H 0.0123 0.3716 0.4829 0.185 Uiso 1 1 calc R
C45 C -0.0082(7) 0.3684(19) 0.5517(6) 0.185(8) Uani 1 1 d .
H45A H -0.0619 0.3521 0.5367 0.223 Uiso 1 1 calc R
H45B H -0.0010 0.4313 0.5808 0.223 Uiso 1 1 calc R
C46 C 0.0298(9) 0.2336(18) 0.5737(7) 0.208(8) Uani 1 1 d .
H46A H 0.0079 0.1980 0.5988 0.312 Uiso 1 1 calc R
H46B H 0.0827 0.2485 0.5906 0.312 Uiso 1 1 calc R
H46C H 0.0228 0.1694 0.5455 0.312 Uiso 1 1 calc 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'
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
N1 Yb1 N2 56.61(14) .
N1 Yb1 O1 138.96(14) .
N2 Yb1 O1 82.37(14) .
N1 Yb1 C7 121.9(3) .
N2 Yb1 C7 135.8(3) .
O1 Yb1 C7 85.4(3) .
N1 Yb1 C8 96.1(3) .
N2 Yb1 C8 135.2(3) .
O1 Yb1 C8 114.6(3) .
C7 Yb1 C8 29.3(3) .
N1 Yb1 C2 126.6(2) .
N2 Yb1 C2 131.9(3) .
O1 Yb1 C2 80.5(3) .
C7 Yb1 C2 87.0(4) .
C8 Yb1 C2 92.7(4) .
N1 Yb1 C10 82.5(3) .
N2 Yb1 C10 89.4(2) .
O1 Yb1 C10 97.0(4) .
C7 Yb1 C10 50.3(3) .
C8 Yb1 C10 49.2(3) .
C2 Yb1 C10 137.1(3) .
N1 Yb1 C6 112.5(4) .
N2 Yb1 C6 104.9(4) .
O1 Yb1 C6 74.0(3) .
C7 Yb1 C6 31.1(3) .
C8 Yb1 C6 49.3(3) .
C2 Yb1 C6 112.8(5) .
C10 Yb1 C6 30.0(3) .
N1 Yb1 C3 102.0(3) .
N2 Yb1 C3 138.3(2) .
O1 Yb1 C3 110.9(3) .
C7 Yb1 C3 85.6(4) .
C8 Yb1 C3 76.6(3) .
C2 Yb1 C3 30.6(3) .
C10 Yb1 C3 125.7(3) .
C6 Yb1 C3 116.7(4) .
N1 Yb1 C4 77.0(2) .
N2 Yb1 C4 110.2(2) .
O1 Yb1 C4 123.9(2) .
C7 Yb1 C4 111.9(4) .
C8 Yb1 C4 94.4(3) .
C2 Yb1 C4 49.8(3) .
C10 Yb1 C4 135.8(4) .
C6 Yb1 C4 142.1(4) .
C3 Yb1 C4 29.4(2) .
N1 Yb1 C9 73.4(2) .
N2 Yb1 C9 106.3(3) .
O1 Yb1 C9 122.7(3) .
C7 Yb1 C9 48.7(3) .
C8 Yb1 C9 29.1(3) .
C2 Yb1 C9 120.8(4) .
C10 Yb1 C9 29.7(3) .
C6 Yb1 C9 48.8(3) .
C3 Yb1 C9 99.1(4) .
C4 Yb1 C9 106.2(3) .
N1 Yb1 C5 82.8(2) .
N2 Yb1 C5 90.5(2) .
O1 Yb1 C5 100.5(3) .
C7 Yb1 C5 133.5(4) .
C8 Yb1 C5 123.3(3) .
C2 Yb1 C5 49.7(3) .
C10 Yb1 C5 162.4(4) .
C6 Yb1 C5 162.5(5) .
C3 Yb1 C5 49.0(2) .
C4 Yb1 C5 29.8(2) .
C9 Yb1 C5 134.9(3) .
N7 Yb2 N6 58.64(16) .
N7 Yb2 C32 132.7(2) .
N6 Yb2 C32 106.2(3) .
N7 Yb2 C35 126.4(3) .
N6 Yb2 C35 94.9(3) .
C32 Yb2 C35 97.5(3) .
N7 Yb2 C31 101.9(2) .
N6 Yb2 C31 86.9(2) .
C32 Yb2 C31 31.0(2) .
C35 Yb2 C31 124.0(3) .
N7 Yb2 C38 90.7(2) .
N6 Yb2 C38 107.1(3) .
C32 Yb2 C38 135.1(3) .
C35 Yb2 C38 50.5(3) .
C31 Yb2 C38 164.8(3) .
N7 Yb2 C33 132.4(2) .
N6 Yb2 C33 135.7(3) .
C32 Yb2 C33 30.7(2) .
C35 Yb2 C33 99.8(4) .
C31 Yb2 C33 50.4(3) .
C38 Yb2 C33 114.6(3) .
N7 Yb2 C34 102.4(3) .
N6 Yb2 C34 131.2(3) .
C32 Yb2 C34 51.1(3) .
C35 Yb2 C34 127.0(4) .
C31 Yb2 C34 50.9(3) .
C38 Yb2 C34 118.4(4) .
C33 Yb2 C34 30.4(2) .
N7 Yb2 C37 114.6(3) .
N6 Yb2 C37 134.7(3) .
C32 Yb2 C37 106.5(3) .
C35 Yb2 C37 50.4(3) .
C31 Yb2 C37 134.6(3) .
C38 Yb2 C37 30.2(3) .
C33 Yb2 C37 84.5(3) .
C34 Yb2 C37 93.9(3) .
N7 Yb2 C39 96.3(3) .
N6 Yb2 C39 84.9(2) .
C32 Yb2 C39 128.8(3) .
C35 Yb2 C39 31.2(3) .
C31 Yb2 C39 152.2(4) .
C38 Yb2 C39 30.1(3) .
C33 Yb2 C39 126.2(3) .
C34 Yb2 C39 143.9(3) .
C37 Yb2 C39 50.1(3) .
N7 Yb2 C30 85.1(2) .
N6 Yb2 C30 99.5(2) .
C32 Yb2 C30 51.2(3) .
C35 Yb2 C30 148.2(3) .
C31 Yb2 C30 30.4(2) .
C38 Yb2 C30 145.8(3) .
C33 Yb2 C30 51.0(2) .
C34 Yb2 C30 31.7(2) .
C37 Yb2 C30 125.5(3) .
C39 Yb2 C30 175.5(3) .
N7 Yb2 C36 141.0(2) .
N6 Yb2 C36 125.6(3) .
C32 Yb2 C36 85.7(3) .
C35 Yb2 C36 30.8(3) .
C31 Yb2 C36 116.7(3) .
C38 Yb2 C36 50.3(3) .
C33 Yb2 C36 75.2(3) .
C34 Yb2 C36 97.9(3) .
C37 Yb2 C36 30.4(3) .
C39 Yb2 C36 50.9(3) .
C30 Yb2 C36 126.1(3) .
C15 N1 C11 120.4(5) .
C15 N1 Yb1 143.2(4) .
C11 N1 Yb1 96.4(3) .
C11 N2 C23 115.6(4) .
C11 N2 Yb1 95.9(3) .
C23 N2 Yb1 148.6(3) .
C16 N3 C15 121.6(5) .
C16 N4 C17 123.4(5) .
C16 N5 C20 127.6(5) .
C23 N6 C24 122.2(5) .
C23 N6 Yb2 93.4(3) .
C24 N6 Yb2 144.1(4) .
C23 N7 C27 121.3(5) .
C23 N7 Yb2 94.1(3) .
C27 N7 Yb2 144.6(4) .
C5 C1 C2 107.2(8) .
C5 C1 Yb1 74.8(4) .
C2 C1 Yb1 73.5(4) .
C3 C2 C1 106.0(8) .
C3 C2 Yb1 75.0(4) .
C1 C2 Yb1 75.6(4) .
C4 C3 C2 108.8(8) .
C4 C3 Yb1 75.5(4) .
C2 C3 Yb1 74.4(5) .
C3 C4 C5 108.4(8) .
C3 C4 Yb1 75.1(5) .
C5 C4 Yb1 75.2(4) .
C1 C5 C4 109.7(8) .
C1 C5 Yb1 75.8(5) .
C4 C5 Yb1 75.0(4) .
C10 C6 C7 107.1(9) .
C10 C6 Yb1 74.9(5) .
C7 C6 Yb1 73.4(5) .
C8 C7 C6 106.8(10) .
C8 C7 Yb1 76.0(5) .
C6 C7 Yb1 75.5(5) .
C7 C8 C9 109.7(10) .
C7 C8 Yb1 74.7(5) .
C9 C8 Yb1 76.2(5) .
C8 C9 C10 109.6(10) .
C8 C9 Yb1 74.6(4) .
C10 C9 Yb1 74.7(5) .
C9 C10 C6 106.7(9) .
C9 C10 Yb1 75.6(5) .
C6 C10 Yb1 75.1(5) .
N2 C11 N1 111.1(5) .
N2 C11 C12 128.0(5) .
N1 C11 C12 120.8(5) .
N2 C11 Yb1 56.0(3) .
N1 C11 Yb1 55.2(3) .
C12 C11 Yb1 175.5(4) .
C13 C12 C11 118.6(5) .
C12 C13 C14 120.5(6) .
C13 C14 C15 120.5(6) .
N1 C15 N3 114.5(5) .
N1 C15 C14 119.1(5) .
N3 C15 C14 126.3(6) .
N3 C16 N5 125.5(6) .
N3 C16 N4 118.0(6) .
N5 C16 N4 116.4(6) .
C18 C17 N4 110.8(8) .
C18 C17 C19 112.5(8) .
N4 C17 C19 107.0(7) .
N5 C20 C21 113.7(6) .
N5 C20 C22 108.0(6) .
C21 C20 C22 112.0(6) .
N7 C23 N6 113.9(5) .
N7 C23 N2 124.6(5) .
N6 C23 N2 121.5(5) .
N7 C23 Yb2 56.9(3) .
N6 C23 Yb2 57.0(3) .
N2 C23 Yb2 178.2(4) .
N6 C24 C26 109.7(6) .
N6 C24 C25 112.0(6) .
C26 C24 C25 110.3(7) .
N7 C27 C28 111.2(5) .
N7 C27 C29 109.2(5) .
C28 C27 C29 109.8(6) .
C31 C30 C34 106.6(7) .
C31 C30 Yb2 74.4(5) .
C34 C30 Yb2 73.9(5) .
C30 C31 C32 109.4(8) .
C30 C31 Yb2 75.2(5) .
C32 C31 Yb2 73.5(4) .
C33 C32 C31 107.3(8) .
C33 C32 Yb2 75.8(5) .
C31 C32 Yb2 75.5(4) .
C34 C33 C32 109.4(8) .
C34 C33 Yb2 74.8(5) .
C32 C33 Yb2 73.6(5) .
C33 C34 C30 107.2(8) .
C33 C34 Yb2 74.7(5) .
C30 C34 Yb2 74.4(5) .
C36 C35 C39 107.5(8) .
C36 C35 Yb2 75.7(5) .
C39 C35 Yb2 75.0(5) .
C37 C36 C35 106.9(8) .
C37 C36 Yb2 74.2(4) .
C35 C36 Yb2 73.5(4) .
C38 C37 C36 109.1(9) .
C38 C37 Yb2 74.8(5) .
C36 C37 Yb2 75.5(4) .
C39 C38 C37 109.1(9) .
C39 C38 Yb2 75.2(5) .
C37 C38 Yb2 75.0(5) .
C38 C39 C35 107.4(8) .
C38 C39 Yb2 74.7(5) .
C35 C39 Yb2 73.8(5) .
O1 C40 C41 108.4(7) .
C40 O1 C43 103.4(6) .
C40 O1 Yb1 129.6(4) .
C43 O1 Yb1 125.9(5) .
C42 C41 C40 109.7(8) .
C43 C42 C41 103.5(8) .
C42 C43 O1 112.4(8) .
C44 C44 C45 117.9(14) 3_566
C44 C45 C46 116.4(12) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 N1 2.374(4) .
Yb1 N2 2.395(4) .
Yb1 O1 2.419(4) .
Yb1 C7 2.601(8) .
Yb1 C8 2.617(7) .
Yb1 C2 2.623(7) .
Yb1 C10 2.625(8) .
Yb1 C6 2.627(8) .
Yb1 C3 2.630(7) .
Yb1 C4 2.635(7) .
Yb1 C9 2.637(7) .
Yb1 C5 2.639(7) .
Yb2 N7 2.281(4) .
Yb2 N6 2.282(5) .
Yb2 C32 2.578(8) .
Yb2 C35 2.597(7) .
Yb2 C31 2.603(7) .
Yb2 C38 2.605(8) .
Yb2 C33 2.606(7) .
Yb2 C34 2.607(8) .
Yb2 C37 2.608(7) .
Yb2 C39 2.612(8) .
Yb2 C30 2.614(8) .
Yb2 C36 2.624(7) .
N1 C15 1.350(7) .
N1 C11 1.378(6) .
N2 C11 1.363(7) .
N2 C23 1.409(6) .
N3 C16 1.307(8) .
N3 C15 1.384(7) .
N4 C16 1.350(7) .
N4 C17 1.497(8) .
N5 C16 1.347(8) .
N5 C20 1.439(8) .
N6 C23 1.345(6) .
N6 C24 1.456(8) .
N7 C23 1.321(7) .
N7 C27 1.453(7) .
C1 C5 1.340(11) .
C1 C2 1.405(12) .
C2 C3 1.388(12) .
C3 C4 1.335(11) .
C4 C5 1.358(10) .
C6 C10 1.359(15) .
C6 C7 1.402(14) .
C7 C8 1.319(13) .
C8 C9 1.322(11) .
C9 C10 1.350(13) .
C11 C12 1.382(7) .
C12 C13 1.366(8) .
C13 C14 1.372(8) .
C14 C15 1.391(8) .
C17 C18 1.374(12) .
C17 C19 1.499(10) .
C20 C21 1.496(10) .
C20 C22 1.505(9) .
C24 C26 1.483(10) .
C24 C25 1.525(11) .
C27 C28 1.496(9) .
C27 C29 1.518(8) .
C30 C31 1.368(10) .
C30 C34 1.425(11) .
C31 C32 1.385(10) .
C32 C33 1.371(11) .
C33 C34 1.368(11) .
C35 C36 1.388(12) .
C35 C39 1.403(12) .
C36 C37 1.371(12) .
C37 C38 1.358(12) .
C38 C39 1.353(11) .
C40 O1 1.371(8) .
C40 C41 1.451(11) .
O1 C43 1.445(9) .
C41 C42 1.382(10) .
C42 C43 1.381(11) .
C44 C44 1.47(2) 3_566
C44 C45 1.482(19) .
C45 C46 1.53(2) .
