#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:52:06 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179940 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/35/7023595.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_7023595
loop_
_publ_author_name
'Zou, Xiaoyan'
'Yan, Pengfei'
'Zhang, Juwen'
'Zhang, Fengming'
'Hou, Guangfeng'
'Li, Guangming'
_publ_section_title
;
 NIR luminescence and catalysis of multifarious salen type ytterbium
 complexes modulated by anions.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13190
_journal_page_last               13199
_journal_paper_doi               10.1039/c3dt51556g
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C46 H56 N4 O16 Yb2, 2(F6 P), 4(C H2 Cl2)'
_chemical_formula_sum            'C50 H64 Cl8 F12 N4 O16 P2 Yb2'
_chemical_formula_weight         1896.67
_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                 127.101(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.7569(9)
_cell_length_b                   26.2104(16)
_cell_length_c                   15.0002(8)
_cell_measurement_reflns_used    21874
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.0231
_cell_measurement_theta_min      0.934829
_cell_volume                     3686.7(5)
_computing_cell_refinement       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_collection       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω 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  0.0444
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20192
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.55
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.944
_exptl_absorpt_correction_T_max  0.6664
_exptl_absorpt_correction_T_min  0.5768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.684
_refine_diff_density_min         -0.972
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         6225
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0562
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0776P)²+13.7869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1549
_reflns_number_gt                4610
_reflns_number_total             6225
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51556g.txt
_cod_data_source_block           zxy_4
_cod_original_cell_volume        3686.7(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7023595
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
C1 C 0.7161(8) 1.0350(4) 0.0698(6) 0.037(2) Uani 1 1 d .
C2 C 0.7623(8) 1.0923(4) 0.0907(6) 0.039(2) Uani 1 1 d .
C3 C 0.7163(9) 1.1306(4) 0.0053(7) 0.048(2) Uani 1 1 d .
H3 H 0.7497 1.1640 0.0219 0.057 Uiso 1 1 calc R
C4 C 0.6146(11) 1.1124(5) -0.1072(7) 0.061(3) Uani 1 1 d .
H4 H 0.5780 1.1349 -0.1666 0.073 Uiso 1 1 calc R
C5 C 0.5675(9) 1.0590(5) -0.1301(7) 0.056(3) Uani 1 1 d .
H5 H 0.5025 1.0499 -0.2049 0.067 Uiso 1 1 calc R
C6 C 0.6139(8) 1.0168(4) -0.0444(6) 0.040(2) Uani 1 1 d D
C7 C 0.5666(8) 0.9626(4) -0.0700(6) 0.046(3) Uani 1 1 d D
H7 H 0.5011 0.9549 -0.1456 0.055 Uiso 1 1 calc R
C8 C 0.5554(9) 0.8618(4) -0.0196(7) 0.052(3) Uani 1 1 d .
H8A H 0.4533 0.8611 -0.0577 0.062 Uiso 1 1 calc R
H8B H 0.5723 0.8476 -0.0704 0.062 Uiso 1 1 calc R
C9 C 0.6277(10) 0.8261(4) 0.0845(8) 0.055(3) Uani 1 1 d .
H9A H 0.6439 0.8462 0.1455 0.066 Uiso 1 1 calc R
H9B H 0.5589 0.7999 0.0675 0.066 Uiso 1 1 calc R
C10 C 0.7572(11) 0.8011(4) 0.1251(8) 0.053(3) Uani 1 1 d .
H10A H 0.7481 0.7811 0.0668 0.064 Uiso 1 1 calc R
H10B H 0.7866 0.7789 0.1874 0.064 Uiso 1 1 calc R
C11 C 0.9151(9) 0.8555(4) 0.1135(6) 0.043(2) Uani 1 1 d .
H11 H 0.8995 0.8342 0.0575 0.052 Uiso 1 1 calc R
C12 C 1.0012(8) 0.9013(4) 0.1425(6) 0.040(2) Uani 1 1 d .
C13 C 1.0513(9) 0.9116(4) 0.0836(7) 0.049(3) Uani 1 1 d .
H13 H 1.0384 0.8887 0.0308 0.059 Uiso 1 1 calc R
C14 C 1.1250(11) 0.9589(5) 0.1050(8) 0.059(3) Uani 1 1 d .
H14 H 1.1628 0.9640 0.0662 0.071 Uiso 1 1 calc R
C15 C 1.1486(9) 1.0010(4) 0.1812(8) 0.050(3) Uani 1 1 d .
H15 H 1.1943 1.0312 0.1874 0.060 Uiso 1 1 calc R
C16 C 1.1003(9) 0.9923(4) 0.2390(7) 0.042(2) Uani 1 1 d .
C17 C 1.0302(8) 0.9420(4) 0.2254(6) 0.035(2) Uani 1 1 d .
C18 C 1.1881(14) 1.0817(5) 0.3365(11) 0.087(5) Uani 1 1 d .
H18A H 1.2868 1.0754 0.3700 0.130 Uiso 1 1 calc R
H18B H 1.1808 1.1017 0.3865 0.130 Uiso 1 1 calc R
H18C H 1.1451 1.0998 0.2675 0.130 Uiso 1 1 calc R
C19 C 0.9016(14) 1.1626(5) 0.2333(9) 0.083(4) Uani 1 1 d .
H19A H 0.9392 1.1748 0.1956 0.124 Uiso 1 1 calc R
H19B H 0.9721 1.1665 0.3126 0.124 Uiso 1 1 calc R
H19C H 0.8181 1.1819 0.2093 0.124 Uiso 1 1 calc R
C20 C 0.7821(12) 0.8415(4) 0.4044(7) 0.063(3) Uani 1 1 d .
H20A H 0.8263 0.8185 0.3839 0.095 Uiso 1 1 calc R
H20B H 0.6831 0.8453 0.3427 0.095 Uiso 1 1 calc R
H20C H 0.7906 0.8281 0.4677 0.095 Uiso 1 1 calc R
C21 C 0.8599(8) 0.8963(3) 0.4360(6) 0.035(2) Uani 1 1 d .
C22 C 0.6728(10) 1.0502(5) 0.4328(8) 0.061(3) Uani 1 1 d .
H22A H 0.6451 1.0173 0.4417 0.091 Uiso 1 1 calc R
H22B H 0.5898 1.0684 0.3737 0.091 Uiso 1 1 calc R
H22C H 0.7185 1.0691 0.5012 0.091 Uiso 1 1 calc R
C23 C 0.7673(8) 1.0442(3) 0.4064(6) 0.034(2) Uani 1 1 d .
C24 C 0.3815(15) 0.8542(9) 0.3779(13) 0.138(8) Uani 1 1 d .
H24A H 0.2823 0.8558 0.3130 0.165 Uiso 1 1 calc R
H24B H 0.3819 0.8495 0.4423 0.165 Uiso 1 1 calc R
C25 C 0.1894(17) 0.7970(7) 0.5687(17) 0.137(8) Uani 1 1 d .
H25A H 0.1499 0.8260 0.5818 0.164 Uiso 1 1 calc R
H25B H 0.2920 0.7976 0.6253 0.164 Uiso 1 1 calc R
Cl1 Cl 0.4568(5) 0.7946(2) 0.3639(4) 0.1256(17) Uani 1 1 d .
Cl2 Cl 0.4585(6) 0.9169(2) 0.3926(4) 0.1362(19) Uani 1 1 d .
Cl3 Cl 0.1508(6) 0.8031(2) 0.4376(5) 0.172(3) Uani 1 1 d .
Cl4 Cl 0.1189(6) 0.7391(2) 0.5828(6) 0.154(2) Uani 1 1 d .
F1 F 0.4963(5) 0.8390(3) 0.7413(5) 0.0655(17) Uani 1 1 d .
F2 F 0.5832(7) 0.8574(4) 0.6535(5) 0.104(3) Uani 1 1 d .
F3 F 0.6838(6) 0.7885(2) 0.8740(4) 0.0636(16) Uani 1 1 d .
F4 F 0.7014(7) 0.8786(3) 0.8358(6) 0.0784(19) Uani 1 1 d .
F5 F 0.7674(7) 0.8055(4) 0.7845(6) 0.102(3) Uani 1 1 d .
F6 F 0.5643(9) 0.7647(3) 0.6921(6) 0.105(3) Uani 1 1 d .
N1 N 0.6066(7) 0.9213(3) 0.0037(5) 0.043(2) Uani 1 1 d D
H101 H 0.660(9) 0.938(3) 0.070(4) 0.065 Uiso 1 1 d D
N2 N 0.8619(7) 0.8440(3) 0.1620(6) 0.0407(18) Uani 1 1 d D
H201 H 0.881(11) 0.872(2) 0.204(7) 0.061 Uiso 1 1 d D
O1 O 0.7635(6) 0.9995(2) 0.1529(4) 0.0432(16) Uani 1 1 d .
O2 O 0.8607(6) 1.1041(3) 0.2047(4) 0.0480(17) Uani 1 1 d .
O3 O 0.9902(6) 0.9337(2) 0.2848(4) 0.0384(14) Uani 1 1 d .
O4 O 1.1111(6) 1.0308(3) 0.3134(5) 0.0475(16) Uani 1 1 d .
O5 O 0.8383(5) 0.9268(2) 0.3583(4) 0.0338(13) Uani 1 1 d .
O6 O 0.9427(6) 0.9085(2) 0.5403(4) 0.0385(15) Uani 1 1 d .
O7 O 0.8845(5) 1.0266(2) 0.4825(4) 0.0344(14) Uani 1 1 d .
O8 O 0.7291(5) 1.0551(2) 0.3105(4) 0.0399(15) Uani 1 1 d .
P1 P 0.6322(3) 0.82254(11) 0.76187(19) 0.0453(6) Uani 1 1 d .
Yb1 Yb 0.93160(4) 1.011846(17) 0.34592(3) 0.03912(17) 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'
Yb Yb -0.3850 5.5486 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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 C1 C6 116.2(8) . .
O1 C1 C2 124.5(6) . .
C6 C1 C2 119.3(7) . .
O2 C2 C3 121.1(9) . .
O2 C2 C1 112.8(7) . .
C3 C2 C1 126.0(7) . .
C4 C3 C2 114.2(10) . .
C4 C3 H3 122.9 . .
C2 C3 H3 122.9 . .
C3 C4 C5 121.3(9) . .
C3 C4 H4 119.3 . .
C5 C4 H4 119.3 . .
C4 C5 C6 127.0(8) . .
C4 C5 H5 116.5 . .
C6 C5 H5 116.5 . .
C1 C6 C7 122.0(7) . .
C1 C6 C5 112.1(8) . .
C7 C6 C5 125.9(7) . .
N1 C7 C6 129.4(7) . .
N1 C7 H7 115.3 . .
C6 C7 H7 115.3 . .
C9 C8 N1 116.8(7) . .
C9 C8 H8A 108.1 . .
N1 C8 H8A 108.1 . .
C9 C8 H8B 108.1 . .
N1 C8 H8B 108.1 . .
H8A C8 H8B 107.3 . .
C10 C9 C8 120.2(8) . .
C10 C9 H9A 107.3 . .
C8 C9 H9A 107.3 . .
C10 C9 H9B 107.3 . .
C8 C9 H9B 107.3 . .
H9A C9 H9B 106.9 . .
C9 C10 N2 104.0(8) . .
C9 C10 H10A 111.0 . .
N2 C10 H10A 111.0 . .
C9 C10 H10B 111.0 . .
N2 C10 H10B 111.0 . .
H10A C10 H10B 109.0 . .
N2 C11 C12 121.7(8) . .
N2 C11 H11 119.1 . .
C12 C11 H11 119.1 . .
C13 C12 C11 117.8(8) . .
C13 C12 C17 115.2(9) . .
C11 C12 C17 126.7(8) . .
C12 C13 C14 118.0(9) . .
C12 C13 H13 121.0 . .
C14 C13 H13 121.0 . .
C13 C14 C15 128.3(8) . .
C13 C14 H14 115.9 . .
C15 C14 H14 115.9 . .
C16 C15 C14 115.1(9) . .
C16 C15 H15 122.4 . .
C14 C15 H15 122.4 . .
C15 C16 O4 121.0(9) . .
C15 C16 C17 118.9(9) . .
O4 C16 C17 120.1(7) . .
O3 C17 C16 117.8(8) . .
O3 C17 C12 117.9(8) . .
C16 C17 C12 124.3(8) . .
O4 C18 H18A 109.5 . .
O4 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
O4 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O2 C19 H19A 109.5 . .
O2 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
O2 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 H20A 109.5 . .
C21 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C21 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O6 C21 O5 122.0(7) . .
O6 C21 C20 117.2(7) . .
O5 C21 C20 120.8(6) . .
C23 C22 H22A 109.5 . .
C23 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C23 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O7 C23 O8 125.1(8) . .
O7 C23 C22 114.6(8) . .
O8 C23 C22 120.3(8) . .
O7 C23 Yb1 64.5(4) . .
O8 C23 Yb1 61.5(4) . .
C22 C23 Yb1 167.9(7) . .
Cl2 C24 Cl1 122.2(9) . .
Cl2 C24 H24A 106.8 . .
Cl1 C24 H24A 106.8 . .
Cl2 C24 H24B 106.8 . .
Cl1 C24 H24B 106.8 . .
H24A C24 H24B 106.6 . .
Cl3 C25 Cl4 112.7(9) . .
Cl3 C25 H25A 109.1 . .
Cl4 C25 H25A 109.1 . .
Cl3 C25 H25B 109.1 . .
Cl4 C25 H25B 109.1 . .
H25A C25 H25B 107.8 . .
C7 N1 C8 131.4(6) . .
C7 N1 H101 100(7) . .
C8 N1 H101 128(7) . .
C11 N2 C10 123.5(8) . .
C11 N2 H201 103(7) . .
C10 N2 H201 132(7) . .
C1 O1 Yb1 127.2(5) . .
C2 O2 C19 115.9(7) . .
C2 O2 Yb1 110.9(5) . .
C19 O2 Yb1 133.0(5) . .
C17 O3 Yb1 115.0(6) . .
C16 O4 C18 123.1(7) . .
C16 O4 Yb1 108.7(5) . .
C18 O4 Yb1 125.9(6) . .
C21 O5 Yb1 137.9(5) . .
C21 O6 Yb1 136.8(6) . 3_776
C23 O7 Yb1 160.9(5) . 3_776
C23 O7 Yb1 88.6(5) . .
Yb1 O7 Yb1 108.8(2) 3_776 .
C23 O8 Yb1 91.0(5) . .
F5 P1 F1 178.6(4) . .
F5 P1 F2 94.7(4) . .
F1 P1 F2 86.7(3) . .
F5 P1 F3 85.4(4) . .
F1 P1 F3 93.2(3) . .
F2 P1 F3 178.5(5) . .
F5 P1 F4 94.8(5) . .
F1 P1 F4 85.3(4) . .
F2 P1 F4 84.8(5) . .
F3 P1 F4 93.7(3) . .
F5 P1 F6 85.1(5) . .
F1 P1 F6 94.7(4) . .
F2 P1 F6 97.5(5) . .
F3 P1 F6 84.0(4) . .
F4 P1 F6 177.7(4) . .
O1 Yb1 O7 145.2(2) . 3_776
O1 Yb1 O8 78.8(2) . .
O7 Yb1 O8 125.31(18) 3_776 .
O1 Yb1 O7 127.3(2) . .
O7 Yb1 O7 71.2(2) 3_776 .
O8 Yb1 O7 54.16(17) . .
O1 Yb1 O4 88.2(2) . .
O7 Yb1 O4 88.4(2) 3_776 .
O8 Yb1 O4 135.3(2) . .
O7 Yb1 O4 141.06(18) . .
O1 Yb1 O3 69.4(2) . .
O7 Yb1 O3 77.10(18) 3_776 .
O8 Yb1 O3 139.79(19) . .
O7 Yb1 O3 133.23(19) . .
O4 Yb1 O3 68.8(2) . .
O1 Yb1 O6 131.37(19) . 3_776
O7 Yb1 O6 80.77(18) 3_776 3_776
O8 Yb1 O6 81.8(2) . 3_776
O7 Yb1 O6 68.95(18) . 3_776
O4 Yb1 O6 75.4(2) . 3_776
O3 Yb1 O6 138.03(18) . 3_776
O1 Yb1 O5 83.66(18) . .
O7 Yb1 O5 72.42(17) 3_776 .
O8 Yb1 O5 90.9(2) . .
O7 Yb1 O5 75.69(18) . .
O4 Yb1 O5 130.2(2) . .
O3 Yb1 O5 62.29(18) . .
O6 Yb1 O5 140.94(16) 3_776 .
O1 Yb1 C23 102.5(2) . .
O7 Yb1 C23 97.9(2) 3_776 .
O8 Yb1 C23 27.5(2) . .
O7 Yb1 C23 26.9(2) . .
O4 Yb1 C23 149.5(2) . .
O3 Yb1 C23 141.7(2) . .
O6 Yb1 C23 76.2(2) 3_776 .
O5 Yb1 C23 79.9(2) . .
O1 Yb1 O2 64.42(19) . .
O7 Yb1 O2 142.97(18) 3_776 .
O8 Yb1 O2 69.11(19) . .
O7 Yb1 O2 110.96(18) . .
O4 Yb1 O2 66.7(2) . .
O3 Yb1 O2 115.09(17) . .
O6 Yb1 O2 67.03(16) 3_776 .
O5 Yb1 O2 144.61(16) . .
C23 Yb1 O2 91.9(2) . .
O1 Yb1 Yb1 151.09(15) . 3_776
O7 Yb1 Yb1 36.34(13) 3_776 3_776
O8 Yb1 Yb1 88.99(12) . 3_776
O7 Yb1 Yb1 34.85(12) . 3_776
O4 Yb1 Yb1 118.03(13) . 3_776
O3 Yb1 Yb1 107.10(12) . 3_776
O6 Yb1 Yb1 71.24(12) 3_776 3_776
O5 Yb1 Yb1 70.31(11) . 3_776
C23 Yb1 Yb1 61.61(17) . 3_776
O2 Yb1 Yb1 134.89(12) . 3_776
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.375(10) .
C1 C6 1.457(10) .
C1 C2 1.563(14) .
C2 O2 1.404(9) .
C2 C3 1.451(12) .
C3 C4 1.439(13) .
C3 H3 0.9300 .
C4 C5 1.467(16) .
C4 H4 0.9300 .
C5 C6 1.525(13) .
C5 H5 0.9300 .
C6 C7 1.490(8) .
C7 N1 1.410(12) .
C7 H7 0.9300 .
C8 C9 1.560(14) .
C8 N1 1.632(13) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.414(14) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N2 1.504(12) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N2 1.249(11) .
C11 C12 1.458(13) .
C11 H11 0.9300 .
C12 C13 1.352(12) .
C12 C17 1.512(12) .
C13 C14 1.433(15) .
C13 H13 0.9300 .
C14 C15 1.489(15) .
C14 H14 0.9300 .
C15 C16 1.312(13) .
C15 H15 0.9300 .
C16 O4 1.453(11) .
C16 C17 1.502(13) .
C17 O3 1.252(9) .
C18 O4 1.529(13) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 O2 1.586(13) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C21 1.613(13) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 O6 1.288(9) .
C21 O5 1.305(10) .
C22 C23 1.395(13) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 O7 1.231(9) .
C23 O8 1.254(9) .
C23 Yb1 2.718(8) .
C24 Cl2 1.83(2) .
C24 Cl1 1.87(2) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 Cl3 1.74(2) .
C25 Cl4 1.803(19) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
F1 P1 1.496(6) .
F2 P1 1.638(7) .
F3 P1 1.662(6) .
F4 P1 1.721(7) .
F5 P1 1.480(6) .
F6 P1 1.738(8) .
N1 H101 0.897(10) .
N2 H201 0.898(10) .
O1 Yb1 2.343(5) .
O2 Yb1 2.984(6) .
O3 Yb1 2.505(6) .
O4 Yb1 2.486(6) .
O5 Yb1 2.541(6) .
O6 Yb1 2.533(6) 3_776
O7 Yb1 2.367(5) 3_776
O7 Yb1 2.454(5) .
O8 Yb1 2.389(6) .
Yb1 O7 2.367(5) 3_776
Yb1 O6 2.533(6) 3_776
Yb1 Yb1 3.9204(7) 3_776
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
N1 H101 O1 0.897(10) 1.96(6) 2.763(9) 148(9)
N2 H201 O3 0.898(10) 1.97(5) 2.800(10) 153(9)
