#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:19:26 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179572 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/37/4503709.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_4503709
loop_
_publ_author_name
'Ye, Junwei'
'Zhang, Jingying'
'Ning, Guiling'
'Tian, Ge'
'Chen, Yan'
'Wang, Yue'
_publ_section_title
;
 Lanthanide Coordination Polymers Constructed from Dinuclear Building
 Blocks: Novel Structure Evolution from One-Dimensional Chains to
 Three-Dimensional Architectures
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3098
_journal_paper_doi               10.1021/cg800310j
_journal_volume                  8
_journal_year                    2008
_chemical_formula_sum            'C48 H29 N7 O20 Yb2'
_chemical_formula_weight         1369.86
_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                105.86(3)
_cell_angle_beta                 100.22(3)
_cell_angle_gamma                100.17(3)
_cell_formula_units_Z            2
_cell_length_a                   10.472(2)
_cell_length_b                   12.322(3)
_cell_length_c                   19.465(4)
_cell_measurement_reflns_used    19363
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.99
_cell_volume                     2309.6(11)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'Omega scan'
_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  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0332
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22255
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    4.118
_exptl_absorpt_correction_T_max  0.5677
_exptl_absorpt_correction_T_min  0.4282
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
Higashi, T. (1995) Progrom for Absorption Correcttion.
Rigaku Corporation, Tokyo, Japan. 
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.970
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1332
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.293
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     701
_refine_ls_number_reflns         10351
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0256
_refine_ls_shift/su_max          0.176
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0410P)²+5.1726P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
_refine_ls_wR_factor_ref         0.0847
_reflns_number_gt                9034
_reflns_number_total             10351
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg800310j-file003.cif
_cod_data_source_block           7
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2309.5(8)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4503709
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 0.804364(6) 0.906683(5) 0.457390(3) 0.01517(2) Uani 1 1 d .
Yb2 Yb 0.643502(7) 0.410082(6) 0.096278(3) 0.01826(2) Uani 1 1 d .
O1 O 0.78361(11) 1.06908(10) 0.54446(6) 0.0234(3) Uani 1 1 d .
O2 O 1.00460(12) 1.12593(10) 0.57310(6) 0.0243(3) Uani 1 1 d .
O3 O 1.23286(13) 1.41262(12) 0.81870(8) 0.0350(4) Uani 1 1 d .
O4 O 1.11906(13) 1.50818(11) 0.88680(6) 0.0278(4) Uani 1 1 d .
O5 O 0.67238(16) 1.50712(15) 0.76162(10) 0.0602(6) Uani 1 1 d .
O6 O 0.56072(12) 1.37176(12) 0.66159(8) 0.0348(4) Uani 1 1 d .
O7 O 0.59648(12) 0.91209(11) 0.38984(6) 0.0247(3) Uani 1 1 d .
O8 O 0.72024(12) 0.81022(12) 0.33127(7) 0.0296(4) Uani 1 1 d .
O9 O 0.49610(12) 0.52066(11) 0.08677(7) 0.0284(3) Uani 1 1 d .
O10 O 0.34221(12) 0.56672(11) 0.01297(6) 0.0252(3) Uani 1 1 d .
O11 O 0.08728(15) 0.82510(18) 0.14045(10) 0.0631(6) Uani 1 1 d .
O12 O 0.18436(19) 0.95215(18) 0.24379(12) 0.0860(8) Uani 1 1 d .
O13 O 0.76134(13) 0.34548(11) 0.18225(6) 0.0309(3) Uani 1 1 d .
O14 O 0.65693(14) 0.30489(14) 0.26552(7) 0.0433(4) Uani 1 1 d .
O15 O 0.86189(12) 0.05513(11) 0.40696(6) 0.0242(3) Uani 1 1 d .
O16 O 1.08472(12) 0.10811(10) 0.43606(6) 0.0241(3) Uani 1 1 d .
O17 O 1.29395(16) 0.20678(19) 0.24622(9) 0.0637(6) Uani 1 1 d .
O18 O 1.16926(17) 0.23619(17) 0.15695(8) 0.0611(6) Uani 1 1 d .
O19 O 0.51056(13) 0.37709(14) 0.17330(8) 0.0474(4) Uani 1 1 d .
N1 N 0.66236(15) 1.41841(13) 0.71095(9) 0.0290(4) Uani 1 1 d .
N2 N 0.18323(16) 0.86989(15) 0.19230(9) 0.0352(5) Uani 1 1 d .
N3 N 1.19010(17) 0.22207(15) 0.21734(9) 0.0348(5) Uani 1 1 d .
N4 N 0.63209(14) 0.82425(13) 0.51674(8) 0.0236(4) Uani 1 1 d .
N5 N 0.77499(15) 0.69275(13) 0.44511(8) 0.0285(4) Uani 1 1 d .
N6 N 0.44567(19) 0.25966(15) 0.00977(10) 0.0430(6) Uani 1 1 d .
N7 N 0.69627(17) 0.22596(13) 0.02988(8) 0.0315(5) Uani 1 1 d .
C1 C 0.88823(16) 1.23098(14) 0.65117(8) 0.0199(4) Uani 1 1 d .
C2 C 1.00106(16) 1.27926(15) 0.71027(9) 0.0210(4) Uani 1 1 d .
H2 H 1.0765 1.2492 0.7098 0.025 Uiso 1 1 calc R
C3 C 0.99963(17) 1.37254(14) 0.76969(9) 0.0216(4) Uani 1 1 d .
C4 C 0.88837(18) 1.41800(15) 0.77010(9) 0.0261(5) Uani 1 1 d .
H4 H 0.8866 1.4805 0.8093 0.031 Uiso 1 1 calc R
C5 C 0.77953(16) 1.36821(15) 0.71070(9) 0.0223(4) Uani 1 1 d .
C6 C 0.77490(16) 1.27493(14) 0.65128(9) 0.0210(4) Uani 1 1 d .
H6A H 0.6990 1.2427 0.6128 0.025 Uiso 1 1 calc R
C7 C 0.89260(16) 1.13461(13) 0.58494(8) 0.0182(4) Uani 1 1 d .
C8 C 1.12322(18) 1.43323(15) 0.82962(9) 0.0241(5) Uani 1 1 d .
C9 C 0.50953(17) 0.81088(14) 0.26194(9) 0.0217(4) Uani 1 1 d .
C10 C 0.51500(17) 0.72172(14) 0.20159(8) 0.0209(4) Uani 1 1 d .
H10 H 0.5885 0.6890 0.2035 0.025 Uiso 1 1 calc R
C11 C 0.41203(16) 0.68114(14) 0.13862(8) 0.0205(4) Uani 1 1 d .
C12 C 0.30298(17) 0.73029(15) 0.13502(9) 0.0230(4) Uani 1 1 d .
H12 H 0.2332 0.7034 0.0931 0.028 Uiso 1 1 calc R
C13 C 0.29981(16) 0.82027(15) 0.19516(9) 0.0217(4) Uani 1 1 d .
C14 C 0.40036(16) 0.86257(15) 0.25898(9) 0.0227(4) Uani 1 1 d .
H14 H 0.3958 0.9232 0.2986 0.027 Uiso 1 1 calc R
C15 C 0.61601(17) 0.84703(15) 0.33144(9) 0.0219(4) Uani 1 1 d .
C16 C 0.41801(16) 0.58215(14) 0.07447(8) 0.0195(4) Uani 1 1 d .
C17 C 0.86939(16) 0.26295(14) 0.26394(9) 0.0212(4) Uani 1 1 d .
C18 C 0.86484(16) 0.20861(14) 0.31781(9) 0.0207(4) Uani 1 1 d .
H18A H 0.7908 0.2025 0.3380 0.025 Uiso 1 1 calc R
C19 C 0.97152(16) 0.16328(14) 0.34148(8) 0.0200(4) Uani 1 1 d .
C20 C 1.08380(17) 0.17201(15) 0.31112(9) 0.0235(4) Uani 1 1 d .
H20 H 1.1568 0.1446 0.3276 0.028 Uiso 1 1 calc R
C21 C 1.08196(17) 0.22279(16) 0.25581(9) 0.0247(5) Uani 1 1 d .
C22 C 0.97854(18) 0.26999(15) 0.23284(9) 0.0254(5) Uani 1 1 d .
H22 H 0.9821 0.3062 0.1969 0.030 Uiso 1 1 calc R
C23 C 0.75230(17) 0.30842(15) 0.23582(9) 0.0234(4) Uani 1 1 d .
C24 C 0.97103(17) 0.10402(14) 0.39991(8) 0.0214(4) Uani 1 1 d .
C25 C 0.54885(18) 0.88282(16) 0.54555(10) 0.0288(5) Uani 1 1 d .
H25 H 0.5429 0.9519 0.5359 0.035 Uiso 1 1 calc R
C26 C 0.4694(2) 0.84590(19) 0.58983(11) 0.0385(6) Uani 1 1 d .
H26 H 0.4087 0.8872 0.6064 0.046 Uiso 1 1 calc R
C27 C 0.4828(2) 0.74906(18) 0.60794(11) 0.0349(6) Uani 1 1 d .
H27 H 0.4352 0.7256 0.6395 0.042 Uiso 1 1 calc R
C28 C 0.57032(19) 0.68381(16) 0.57813(10) 0.0291(5) Uani 1 1 d .
C29 C 0.5876(2) 0.57997(18) 0.59343(11) 0.0417(6) Uani 1 1 d .
H29 H 0.5445 0.5551 0.6262 0.050 Uiso 1 1 calc R
C30 C 0.6659(2) 0.51787(17) 0.56068(11) 0.0388(6) Uani 1 1 d .
H30 H 0.6770 0.4511 0.5722 0.047 Uiso 1 1 calc R
C31 C 0.7330(2) 0.55069(16) 0.50867(11) 0.0324(5) Uani 1 1 d .
C32 C 0.8061(2) 0.48508(18) 0.46997(13) 0.0434(7) Uani 1 1 d .
H32 H 0.8189 0.4169 0.4789 0.052 Uiso 1 1 calc R
C33 C 0.8595(2) 0.52060(19) 0.41854(14) 0.0487(7) Uani 1 1 d .
H33 H 0.9074 0.4763 0.3912 0.058 Uiso 1 1 calc R
C34 C 0.8411(2) 0.62384(18) 0.40773(12) 0.0418(6) Uani 1 1 d .
H34 H 0.8771 0.6466 0.3721 0.050 Uiso 1 1 calc R
C35 C 0.71977(17) 0.65467(15) 0.49493(9) 0.0236(5) Uani 1 1 d .
C36 C 0.63806(17) 0.72433(15) 0.53115(9) 0.0232(4) Uani 1 1 d .
C37 C 0.3235(3) 0.2761(2) -0.00129(18) 0.0697(10) Uani 1 1 d .
H37 H 0.3078 0.3415 0.0302 0.084 Uiso 1 1 calc R
C38 C 0.2163(3) 0.2012(3) -0.0575(2) 0.0912(13) Uani 1 1 d .
H38 H 0.1322 0.2170 -0.0635 0.109 Uiso 1 1 calc R
C39 C 0.2380(3) 0.1060(3) -0.10256(19) 0.0952(12) Uani 1 1 d .
H39 H 0.1687 0.0564 -0.1412 0.114 Uiso 1 1 calc R
C40 C 0.3645(3) 0.0802(2) -0.09212(14) 0.0673(10) Uani 1 1 d .
C41 C 0.3958(4) -0.0209(3) -0.13539(17) 0.0865(13) Uani 1 1 d .
H41 H 0.3296 -0.0735 -0.1745 0.104 Uiso 1 1 calc R
C42 C 0.5148(4) -0.0426(3) -0.12207(16) 0.0814(13) Uani 1 1 d .
H42 H 0.5285 -0.1117 -0.1504 0.098 Uiso 1 1 calc R
C43 C 0.6256(3) 0.03836(19) -0.06423(12) 0.0551(8) Uani 1 1 d .
C44 C 0.7546(3) 0.0226(2) -0.04870(15) 0.0677(8) Uani 1 1 d .
H44 H 0.7751 -0.0457 -0.0733 0.081 Uiso 1 1 calc R
C45 C 0.8480(3) 0.1083(2) 0.00245(15) 0.0633(8) Uani 1 1 d .
H45 H 0.9349 0.0993 0.0126 0.076 Uiso 1 1 calc R
C46 C 0.8206(2) 0.20902(18) 0.04061(11) 0.0416(6) Uani 1 1 d .
H46 H 0.8897 0.2671 0.0748 0.050 Uiso 1 1 calc R
C47 C 0.5980(2) 0.14166(17) -0.02236(10) 0.0361(6) Uani 1 1 d .
C48 C 0.4655(2) 0.16198(18) -0.03456(11) 0.0399(6) Uani 1 1 d .
H19A H 0.454(2) 0.410(2) 0.1851(13) 0.048 Uiso 1 1 d .
H19B H 0.537(2) 0.362(2) 0.2080(13) 0.048 Uiso 1 1 d .
O20 O 0.0771(5) 0.4296(4) 0.0313(2) 0.204(2) Uiso 1 1 d D
H20B H 0.0090(14) 0.415(3) -0.0092(7) 0.244 Uiso 1 1 d D
H20A H 0.101(2) 0.3757(9) 0.0521(9) 0.244 Uiso 1 1 d 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'
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
O2 Yb1 O16 79.87(5) 2_776 2_766
O2 Yb1 O1 126.17(5) 2_776 .
O16 Yb1 O1 77.18(5) 2_766 .
O2 Yb1 O15 78.53(5) 2_776 1_565
O16 Yb1 O15 126.29(5) 2_766 1_565
O1 Yb1 O15 77.26(5) . 1_565
O2 Yb1 O8 80.78(5) 2_776 .
O16 Yb1 O8 144.34(5) 2_766 .
O1 Yb1 O8 137.87(5) . .
O15 Yb1 O8 78.07(5) 1_565 .
O2 Yb1 O7 133.72(5) 2_776 .
O16 Yb1 O7 145.33(5) 2_766 .
O1 Yb1 O7 85.35(5) . .
O15 Yb1 O7 77.07(5) 1_565 .
O8 Yb1 O7 56.04(5) . .
O2 Yb1 N4 139.02(5) 2_776 .
O16 Yb1 N4 72.69(5) 2_766 .
O1 Yb1 N4 76.70(5) . .
O15 Yb1 N4 142.44(5) 1_565 .
O8 Yb1 N4 104.60(5) . .
O7 Yb1 N4 74.27(5) . .
O2 Yb1 N5 78.99(6) 2_776 .
O16 Yb1 N5 71.69(6) 2_766 .
O1 Yb1 N5 135.24(5) . .
O15 Yb1 N5 147.49(5) 1_565 .
O8 Yb1 N5 75.39(6) . .
O7 Yb1 N5 102.63(6) . .
N4 Yb1 N5 63.91(6) . .
O2 Yb1 C15 107.28(5) 2_776 .
O16 Yb1 C15 157.84(5) 2_766 .
O1 Yb1 C15 112.18(6) . .
O15 Yb1 C15 75.87(6) 1_565 .
O8 Yb1 C15 27.79(5) . .
O7 Yb1 C15 28.25(5) . .
N4 Yb1 C15 89.53(6) . .
N5 Yb1 C15 88.82(6) . .
O2 Yb1 C7 104.57(5) 2_776 .
O16 Yb1 C7 65.73(5) 2_766 .
O1 Yb1 C7 21.95(4) . .
O15 Yb1 C7 73.21(5) 1_565 .
O8 Yb1 C7 148.89(5) . .
O7 Yb1 C7 105.12(5) . .
N4 Yb1 C7 91.36(5) . .
N5 Yb1 C7 135.62(5) . .
C15 Yb1 C7 129.42(6) . .
O2 Yb1 Yb1 48.50(3) 2_776 2_776
O16 Yb1 Yb1 62.05(4) 2_766 2_776
O1 Yb1 Yb1 77.77(4) . 2_776
O15 Yb1 Yb1 66.79(4) 1_565 2_776
O8 Yb1 Yb1 121.68(5) . 2_776
O7 Yb1 Yb1 142.57(4) . 2_776
N4 Yb1 Yb1 131.73(3) . 2_776
N5 Yb1 Yb1 112.92(5) . 2_776
C15 Yb1 Yb1 138.23(5) . 2_776
C7 Yb1 Yb1 56.06(4) . 2_776
O9 Yb2 O10 80.63(6) . 2_665
O9 Yb2 O19 75.02(6) . .
O10 Yb2 O19 147.82(5) 2_665 .
O9 Yb2 O13 140.24(5) . .
O10 Yb2 O13 137.48(5) 2_665 .
O19 Yb2 O13 72.24(5) . .
O9 Yb2 O3 79.61(5) . 2_776
O10 Yb2 O3 103.65(6) 2_665 2_776
O19 Yb2 O3 92.43(6) . 2_776
O13 Yb2 O3 79.85(6) . 2_776
O9 Yb2 O4 120.11(5) . 2_776
O10 Yb2 O4 76.32(5) 2_665 2_776
O19 Yb2 O4 134.50(5) . 2_776
O13 Yb2 O4 71.86(5) . 2_776
O3 Yb2 O4 54.38(5) 2_776 2_776
O9 Yb2 N7 142.16(5) . .
O10 Yb2 N7 77.23(6) 2_665 .
O19 Yb2 N7 110.36(6) . .
O13 Yb2 N7 72.01(6) . .
O3 Yb2 N7 135.35(5) 2_776 .
O4 Yb2 N7 83.77(6) 2_776 .
O9 Yb2 N6 79.96(6) . .
O10 Yb2 N6 77.57(6) 2_665 .
O19 Yb2 N6 77.72(6) . .
O13 Yb2 N6 113.75(6) . .
O3 Yb2 N6 159.03(6) 2_776 .
O4 Yb2 N6 143.33(6) 2_776 .
N7 Yb2 N6 65.59(7) . .
O9 Yb2 C8 103.61(5) . 2_776
O10 Yb2 C8 94.06(6) 2_665 2_776
O19 Yb2 C8 111.78(6) . 2_776
O13 Yb2 C8 69.31(6) . 2_776
O3 Yb2 C8 27.69(6) 2_776 2_776
O4 Yb2 C8 27.48(5) 2_776 2_776
N7 Yb2 C8 108.20(6) . 2_776
N6 Yb2 C8 170.36(6) . 2_776
C7 O1 Yb1 114.62(11) . .
C7 O2 Yb1 174.19(10) . 2_776
C8 O3 Yb2 92.89(10) . 2_776
C8 O4 Yb2 88.35(11) . 2_776
C15 O7 Yb1 90.51(11) . .
C15 O8 Yb1 91.68(10) . .
C16 O9 Yb2 173.14(13) . .
C16 O10 Yb2 138.90(12) . 2_665
C23 O13 Yb2 142.96(12) . .
C24 O15 Yb1 131.72(12) . 1_545
C24 O16 Yb1 143.57(12) . 2_766
Yb2 O19 H19A 128(2) . .
Yb2 O19 H19B 122(2) . .
H19A O19 H19B 102(3) . .
O6 N1 O5 123.16(17) . .
O6 N1 C5 119.68(14) . .
O5 N1 C5 117.16(14) . .
O12 N2 O11 122.5(2) . .
O12 N2 C13 118.10(16) . .
O11 N2 C13 119.33(17) . .
O17 N3 O18 123.4(2) . .
O17 N3 C21 118.71(18) . .
O18 N3 C21 117.86(18) . .
C25 N4 C36 117.02(17) . .
C25 N4 Yb1 123.42(13) . .
C36 N4 Yb1 118.63(12) . .
C34 N5 C35 116.15(18) . .
C34 N5 Yb1 123.86(14) . .
C35 N5 Yb1 117.35(12) . .
C37 N6 C48 117.21(19) . .
C37 N6 Yb2 123.33(16) . .
C48 N6 Yb2 118.97(15) . .
C46 N7 C47 118.12(18) . .
C46 N7 Yb2 122.48(12) . .
C47 N7 Yb2 119.28(15) . .
C6 C1 C2 120.69(15) . .
C6 C1 C7 119.54(13) . .
C2 C1 C7 119.68(16) . .
C3 C2 C1 119.70(17) . .
C3 C2 H2 120.1 . .
C1 C2 H2 120.1 . .
C4 C3 C2 120.22(14) . .
C4 C3 C8 118.81(15) . .
C2 C3 C8 120.62(16) . .
C3 C4 C5 118.26(15) . .
C3 C4 H4 120.9 . .
C5 C4 H4 120.9 . .
C6 C5 C4 123.86(17) . .
C6 C5 N1 118.22(14) . .
C4 C5 N1 117.92(15) . .
C5 C6 C1 117.25(14) . .
C5 C6 H6A 121.4 . .
C1 C6 H6A 121.4 . .
O2 C7 O1 124.03(14) . .
O2 C7 C1 117.85(13) . .
O1 C7 C1 118.11(15) . .
O2 C7 Yb1 81.24(9) . .
O1 C7 Yb1 43.43(8) . .
C1 C7 Yb1 159.87(11) . .
O4 C8 O3 120.85(15) . .
O4 C8 C3 120.81(17) . .
O3 C8 C3 118.16(15) . .
O4 C8 Yb2 64.17(9) . 2_776
O3 C8 Yb2 59.42(8) . 2_776
C3 C8 Yb2 158.68(14) . 2_776
C10 C9 C14 120.05(14) . .
C10 C9 C15 119.90(16) . .
C14 C9 C15 119.95(15) . .
C11 C10 C9 120.67(17) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C12 C11 C10 120.04(15) . .
C12 C11 C16 120.04(13) . .
C10 C11 C16 119.91(16) . .
C11 C12 C13 118.66(14) . .
C11 C12 H12 120.7 . .
C13 C12 H12 120.7 . .
C14 C13 C12 122.87(17) . .
C14 C13 N2 118.35(15) . .
C12 C13 N2 118.73(14) . .
C13 C14 C9 117.68(15) . .
C13 C14 H14 121.2 . .
C9 C14 H14 121.2 . .
O8 C15 O7 121.78(15) . .
O8 C15 C9 119.44(15) . .
O7 C15 C9 118.76(16) . .
O8 C15 Yb1 60.53(8) . .
O7 C15 Yb1 61.25(8) . .
C9 C15 Yb1 178.37(13) . .
O9 C16 O10 125.00(15) . .
O9 C16 C11 117.30(14) . .
O10 C16 C11 117.68(16) . .
C22 C17 C18 120.00(17) . .
C22 C17 C23 119.46(17) . .
C18 C17 C23 120.45(16) . .
C17 C18 C19 119.96(17) . .
C17 C18 H18A 120.0 . .
C19 C18 H18A 120.0 . .
C18 C19 C20 120.35(17) . .
C18 C19 C24 121.75(16) . .
C20 C19 C24 117.89(16) . .
C21 C20 C19 117.74(17) . .
C21 C20 H20 121.1 . .
C19 C20 H20 121.1 . .
C22 C21 C20 122.52(18) . .
C22 C21 N3 118.09(18) . .
C20 C21 N3 119.33(17) . .
C21 C22 C17 119.34(18) . .
C21 C22 H22 120.3 . .
C17 C22 H22 120.3 . .
O14 C23 O13 125.90(18) . .
O14 C23 C17 118.92(17) . .
O13 C23 C17 115.18(16) . .
O15 C24 O16 126.56(17) . .
O15 C24 C19 118.62(15) . .
O16 C24 C19 114.81(16) . .
N4 C25 C26 123.5(2) . .
N4 C25 H25 118.3 . .
C26 C25 H25 118.3 . .
C27 C26 C25 118.9(2) . .
C27 C26 H26 120.5 . .
C25 C26 H26 120.5 . .
C26 C27 C28 119.3(2) . .
C26 C27 H27 120.4 . .
C28 C27 H27 120.4 . .
C36 C28 C27 117.02(19) . .
C36 C28 C29 120.48(19) . .
C27 C28 C29 122.5(2) . .
C30 C29 C28 120.2(2) . .
C30 C29 H29 119.9 . .
C28 C29 H29 119.9 . .
C29 C30 C31 122.5(2) . .
C29 C30 H30 118.8 . .
C31 C30 H30 118.8 . .
C32 C31 C35 118.1(2) . .
C32 C31 C30 124.2(2) . .
C35 C31 C30 117.66(19) . .
C33 C32 C31 119.6(2) . .
C33 C32 H32 120.2 . .
C31 C32 H32 120.2 . .
C32 C33 C34 118.8(2) . .
C32 C33 H33 120.6 . .
C34 C33 H33 120.6 . .
N5 C34 C33 124.3(2) . .
N5 C34 H34 117.9 . .
C33 C34 H34 117.9 . .
N5 C35 C31 122.99(18) . .
N5 C35 C36 116.32(17) . .
C31 C35 C36 120.59(18) . .
N4 C36 C28 124.04(18) . .
N4 C36 C35 117.51(17) . .
C28 C36 C35 118.46(18) . .
N6 C37 C38 124.0(3) . .
N6 C37 H37 118.0 . .
C38 C37 H37 118.0 . .
C39 C38 C37 118.3(3) . .
C39 C38 H38 120.8 . .
C37 C38 H38 120.8 . .
C38 C39 C40 120.9(3) . .
C38 C39 H39 119.6 . .
C40 C39 H39 119.6 . .
C39 C40 C48 116.1(3) . .
C39 C40 C41 125.0(3) . .
C48 C40 C41 118.9(3) . .
C42 C41 C40 122.6(3) . .
C42 C41 H41 118.7 . .
C40 C41 H41 118.7 . .
C41 C42 C43 122.0(3) . .
C41 C42 H42 119.0 . .
C43 C42 H42 119.0 . .
C44 C43 C47 118.6(2) . .
C44 C43 C42 125.0(3) . .
C47 C43 C42 116.4(3) . .
C45 C44 C43 118.1(3) . .
C45 C44 H44 120.9 . .
C43 C44 H44 120.9 . .
C44 C45 C46 122.4(3) . .
C44 C45 H45 118.8 . .
C46 C45 H45 118.8 . .
N7 C46 C45 121.57(19) . .
N7 C46 H46 119.2 . .
C45 C46 H46 119.2 . .
N7 C47 C43 121.0(2) . .
N7 C47 C48 117.63(18) . .
C43 C47 C48 121.36(18) . .
N6 C48 C40 123.5(2) . .
N6 C48 C47 117.90(17) . .
C40 C48 C47 118.6(2) . .
H20B O20 H20A 126(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O2 2.2563(14) 2_776
Yb1 O16 2.2605(14) 2_766
Yb1 O1 2.3140(14) .
Yb1 O15 2.3398(15) 1_565
Yb1 O8 2.3415(15) .
Yb1 O7 2.3569(14) .
Yb1 N4 2.5209(17) .
Yb1 N5 2.5385(17) .
Yb1 C15 2.6883(19) .
Yb1 C7 3.0600(19) .
Yb1 Yb1 4.1234(17) 2_776
Yb2 O9 2.2479(15) .
Yb2 O10 2.2485(13) 2_665
Yb2 O19 2.2859(17) .
Yb2 O13 2.3019(15) .
Yb2 O3 2.3349(16) 2_776
Yb2 O4 2.4390(15) 2_776
Yb2 N7 2.4934(18) .
Yb2 N6 2.502(2) .
Yb2 C8 2.709(2) 2_776
O1 C7 1.2582(18) .
O2 C7 1.252(2) .
O2 Yb1 2.2563(14) 2_776
O3 C8 1.260(2) .
O3 Yb2 2.3349(16) 2_776
O4 C8 1.250(2) .
O4 Yb2 2.4390(15) 2_776
O5 N1 1.230(2) .
O6 N1 1.2270(19) .
O7 C15 1.272(2) .
O8 C15 1.254(2) .
O9 C16 1.244(2) .
O10 C16 1.2586(19) .
O10 Yb2 2.2485(13) 2_665
O11 N2 1.214(2) .
O12 N2 1.212(3) .
O13 C23 1.259(2) .
O14 C23 1.240(2) .
O15 C24 1.243(2) .
O15 Yb1 2.3398(15) 1_545
O16 C24 1.256(2) .
O16 Yb1 2.2605(14) 2_766
O17 N3 1.203(3) .
O18 N3 1.222(2) .
O19 H19A 0.80(3) .
O19 H19B 0.77(3) .
N1 C5 1.469(2) .
N2 C13 1.458(3) .
N3 C21 1.464(3) .
N4 C25 1.330(3) .
N4 C36 1.345(3) .
N5 C34 1.333(3) .
N5 C35 1.359(3) .
N6 C37 1.320(3) .
N6 C48 1.349(3) .
N7 C46 1.344(3) .
N7 C47 1.359(2) .
C1 C6 1.389(3) .
C1 C2 1.403(2) .
C1 C7 1.509(2) .
C2 C3 1.395(2) .
C2 H2 0.9300 .
C3 C4 1.379(3) .
C3 C8 1.497(2) .
C4 C5 1.382(2) .
C4 H4 0.9300 .
C5 C6 1.377(2) .
C6 H6A 0.9300 .
C8 Yb2 2.709(2) 2_776
C9 C10 1.389(2) .
C9 C14 1.403(3) .
C9 C15 1.494(2) .
C10 C11 1.386(2) .
C10 H10 0.9300 .
C11 C12 1.384(3) .
C11 C16 1.508(2) .
C12 C13 1.385(2) .
C12 H12 0.9300 .
C13 C14 1.383(2) .
C14 H14 0.9300 .
C17 C22 1.385(3) .
C17 C18 1.393(3) .
C17 C23 1.513(3) .
C18 C19 1.397(3) .
C18 H18A 0.9300 .
C19 C20 1.407(3) .
C19 C24 1.510(3) .
C20 C21 1.384(3) .
C20 H20 0.9300 .
C21 C22 1.380(3) .
C22 H22 0.9300 .
C25 C26 1.406(3) .
C25 H25 0.9300 .
C26 C27 1.356(3) .
C26 H26 0.9300 .
C27 C28 1.420(3) .
C27 H27 0.9300 .
C28 C36 1.394(3) .
C28 C29 1.425(3) .
C29 C30 1.344(3) .
C29 H29 0.9300 .
C30 C31 1.435(3) .
C30 H30 0.9300 .
C31 C32 1.377(3) .
C31 C35 1.403(3) .
C32 C33 1.363(4) .
C32 H32 0.9300 .
C33 C34 1.385(4) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.452(3) .
C37 C38 1.398(4) .
C37 H37 0.9300 .
C38 C39 1.342(5) .
C38 H38 0.9300 .
C39 C40 1.409(5) .
C39 H39 0.9300 .
C40 C48 1.406(3) .
C40 C41 1.427(5) .
C41 C42 1.315(6) .
C41 H41 0.9300 .
C42 C43 1.457(4) .
C42 H42 0.9300 .
C43 C44 1.391(4) .
C43 C47 1.419(3) .
C44 C45 1.333(3) .
C44 H44 0.9300 .
C45 C46 1.368(4) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C47 C48 1.443(4) .
O20 H20B 0.917(13) .
O20 H20A 0.915(14) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O19 H19A O5 0.80(3) 2.07(3) 2.855(3) 167(2) 2_676
C29 H29 O6 0.93 2.56 3.187(3) 125.2 1_545
C30 H30 O6 0.93 2.59 3.211(3) 124.2 1_545
C2 H2 O8 0.93 2.56 3.446(2) 159.9 2_776
C20 H20 O12 0.93 2.58 3.118(3) 117.2 1_645
C38 H38 O11 0.93 2.39 3.217(3) 147.6 2_565
C27 H27 O14 0.93 2.32 3.237(3) 169.8 2_666
C25 H25 O7 0.93 2.71 3.253(3) 118.5 2_676
C26 H26 O7 0.93 2.46 3.115(3) 127.1 2_676
C44 H44 O18 0.93 2.69 3.615(3) 174.1 2_755
