#------------------------------------------------------------------------------
#$Date: 2019-05-03 22:25:03 +0300 (Fri, 03 May 2019) $
#$Revision: 214914 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/15/2021549.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2021549
loop_
_publ_author_name
'Bai, Chao'
'Liu, Bin'
'Hu, Huai-Ming'
'Li, Jin-Dian'
'Wang, Xiaofang'
'Xue, Ganglin'
_publ_section_title
;
 Structural investigation of one- and three-dimensional lanthanide(III)
 coordination polymers based on functionalized terpyridine carboxylate and
 aromatic dicarboxylate ligands
;
_journal_coeditor_code           QP3023
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              422
_journal_page_last               432
_journal_paper_doi               10.1107/S2053229619003437
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Yb (C8 H4 O4) (C22 H14 N3 O2)]'
_chemical_formula_moiety         'C30 H18 N3 O6 Yb'
_chemical_formula_sum            'C30 H18 N3 O6 Yb'
_chemical_formula_weight         689.51
_chemical_name_systematic
Poly[(μ₂-benzene-1,4-dicarboxylato)[μ₂-2-(2,2':6',2''-terpyridin-4'-yl)benzoato]ytterbiumIII)]
_space_group_IT_number           15
_space_group_name_Hall           '-P 2yc'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 96.3620(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.689(2)
_cell_length_b                   10.2783(9)
_cell_length_c                   20.0241(18)
_cell_measurement_reflns_used    8265
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.10
_cell_measurement_theta_min      2.34
_cell_volume                     5050.0(8)
_computing_cell_refinement
;
SMART (Bruker, 2008)
;
_computing_data_collection
;
SMART (Bruker, 2008)
;
_computing_data_reduction
;
SAINT (Bruker, 2008)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEXII 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  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12249
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    3.756
_exptl_absorpt_correction_T_max  0.615
_exptl_absorpt_correction_T_min  0.513
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 1996)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2696
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.854
_refine_diff_density_min         -0.969
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         4459
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0259
_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)+(0.0367P)²+23.3671P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0678
_refine_ls_wR_factor_ref         0.0691
_reflns_number_gt                4199
_reflns_number_total             4459
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            qp3023sup1.cif
_cod_data_source_block           nw2189_0m
_cod_depositor_comments
'Adding full bibliography for 2021540--2021549.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2021549
_cod_database_fobs_code          2021549
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Yb Yb1 0.346360(6) 0.632694(15) 0.046999(7) 0.01909(7) Uani d . 1 1
N N1 0.35375(14) 0.3951(3) 0.01716(17) 0.0261(7) Uani d . 1 1
N N2 0.43853(13) 0.5275(3) 0.07966(16) 0.0209(7) Uani d . 1 1
N N3 0.42043(14) 0.7784(3) 0.10296(18) 0.0275(8) Uani d . 1 1
O O1 0.6379(2) 0.1827(5) 0.0362(2) 0.0691(12) Uani d . 1 1
O O2 0.60384(16) 0.3726(4) 0.04497(18) 0.0515(10) Uani d . 1 1
O O3 0.27597(12) 0.6137(3) -0.03360(14) 0.0319(7) Uani d . 1 1
O O4 0.20056(11) 0.7028(3) -0.08392(13) 0.0290(7) Uani d . 1 1
O O5 0.35377(11) 0.4212(3) -0.33923(14) 0.0313(7) Uani d . 1 1
O O6 0.27723(13) 0.4878(3) -0.39488(14) 0.0353(7) Uani d . 1 1
C C1 0.31117(19) 0.3304(5) -0.0151(2) 0.0368(10) Uani d . 1 1
H H1 0.2773 0.3707 -0.0191 0.044 Uiso calc R 1 1
C C2 0.3147(2) 0.2090(5) -0.0424(2) 0.0450(13) Uani d . 1 1
H H2 0.2839 0.1674 -0.0634 0.054 Uiso calc R 1 1
C C3 0.3652(3) 0.1502(5) -0.0379(3) 0.0537(15) Uani d . 1 1
H H3 0.3694 0.0691 -0.0572 0.064 Uiso calc R 1 1
C C4 0.4094(2) 0.2128(5) -0.0045(3) 0.0444(12) Uani d . 1 1
H H4 0.4438 0.1745 -0.0010 0.053 Uiso calc R 1 1
C C5 0.40209(18) 0.3337(4) 0.0239(2) 0.0265(9) Uani d . 1 1
C C6 0.44661(16) 0.4010(4) 0.06619(19) 0.0223(8) Uani d . 1 1
C C7 0.49198(16) 0.3335(4) 0.0937(2) 0.0247(8) Uani d . 1 1
H H7 0.4973 0.2477 0.0813 0.030 Uiso calc R 1 1
C C8 0.53006(16) 0.3946(4) 0.14048(19) 0.0228(8) Uani d . 1 1
C C9 0.52178(16) 0.5243(4) 0.1529(2) 0.0249(8) Uani d . 1 1
H H9 0.5463 0.5688 0.1832 0.030 Uiso calc R 1 1
C C10 0.47709(15) 0.5891(4) 0.12054(19) 0.0226(8) Uani d . 1 1
C C11 0.46902(17) 0.7310(4) 0.1279(2) 0.0277(9) Uani d . 1 1
C C12 0.5102(2) 0.8105(5) 0.1564(3) 0.0466(13) Uani d . 1 1
H H12 0.5439 0.7753 0.1723 0.056 Uiso calc R 1 1
C C13 0.5013(2) 0.9424(5) 0.1615(3) 0.0557(15) Uani d . 1 1
H H13 0.5287 0.9973 0.1807 0.067 Uiso calc R 1 1
C C14 0.4514(2) 0.9903(5) 0.1375(3) 0.0498(14) Uani d . 1 1
H H14 0.4438 1.0786 0.1408 0.060 Uiso calc R 1 1
C C15 0.4127(2) 0.9066(5) 0.1085(3) 0.0432(12) Uani d . 1 1
H H15 0.3790 0.9406 0.0916 0.052 Uiso calc R 1 1
C C16 0.57427(16) 0.3171(4) 0.1772(2) 0.0242(8) Uani d . 1 1
C C17 0.57982(18) 0.3182(4) 0.2467(2) 0.0314(9) Uani d . 1 1
H H17 0.5565 0.3692 0.2691 0.038 Uiso calc R 1 1
C C18 0.61934(19) 0.2448(5) 0.2830(2) 0.0363(10) Uani d . 1 1
H H18 0.6232 0.2482 0.3297 0.044 Uiso calc R 1 1
C C19 0.65318(19) 0.1666(5) 0.2504(2) 0.0363(10) Uani d . 1 1
H H19 0.6792 0.1151 0.2750 0.044 Uiso calc R 1 1
C C20 0.64828(19) 0.1650(4) 0.1808(2) 0.0335(10) Uani d . 1 1
H H20 0.6711 0.1118 0.1588 0.040 Uiso calc R 1 1
C C21 0.60985(18) 0.2417(4) 0.1435(2) 0.0292(9) Uani d . 1 1
C C22 0.6154(2) 0.2649(6) 0.0674(3) 0.0497(14) Uani d . 1 1
C C23 0.24408(16) 0.6414(4) -0.08449(19) 0.0222(8) Uani d . 1 1
C C24 0.25822(15) 0.5926(4) -0.15172(18) 0.0214(8) Uani d . 1 1
C C25 0.30223(17) 0.5106(4) -0.15498(19) 0.0276(9) Uani d . 1 1
H H25 0.3222 0.4824 -0.1156 0.033 Uiso calc R 1 1
C C26 0.31666(17) 0.4705(4) -0.21620(19) 0.0261(9) Uani d . 1 1
H H26 0.3461 0.4147 -0.2178 0.031 Uiso calc R 1 1
C C27 0.28759(16) 0.5126(4) -0.27540(19) 0.0230(8) Uani d . 1 1
C C28 0.24311(17) 0.5932(4) -0.27234(19) 0.0256(8) Uani d . 1 1
H H28 0.2231 0.6209 -0.3119 0.031 Uiso calc R 1 1
C C29 0.22802(17) 0.6332(4) -0.2107(2) 0.0234(8) Uani d . 1 1
H H29 0.1979 0.6868 -0.2090 0.028 Uiso calc R 1 1
C C30 0.30687(16) 0.4719(4) -0.34067(19) 0.0235(8) Uani d . 1 1
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O4 Yb1 O3 7_565 . 85.11(10)
O4 Yb1 O2 7_565 5_665 128.49(12)
O3 Yb1 O2 . 5_665 82.17(12)
O4 Yb1 O5 7_565 6_566 80.96(11)
O3 Yb1 O5 . 6_566 130.71(11)
O2 Yb1 O5 5_665 6_566 140.98(12)
O4 Yb1 O6 7_565 6_566 79.26(11)
O3 Yb1 O6 . 6_566 77.15(10)
O2 Yb1 O6 5_665 6_566 143.68(12)
O5 Yb1 O6 6_566 6_566 53.90(10)
O4 Yb1 N3 7_565 . 77.29(11)
O3 Yb1 N3 . . 146.57(11)
O2 Yb1 N3 5_665 . 86.85(13)
O5 Yb1 N3 6_566 . 74.52(11)
O6 Yb1 N3 6_566 . 125.81(10)
O4 Yb1 N1 7_565 . 150.28(11)
O3 Yb1 N1 . . 79.42(11)
O2 Yb1 N1 5_665 . 74.42(12)
O5 Yb1 N1 6_566 . 90.08(11)
O6 Yb1 N1 6_566 . 72.66(11)
N3 Yb1 N1 . . 127.59(11)
O4 Yb1 N2 7_565 . 136.37(10)
O3 Yb1 N2 . . 138.45(10)
O2 Yb1 N2 5_665 . 69.91(12)
O5 Yb1 N2 6_566 . 71.10(10)
O6 Yb1 N2 6_566 . 107.94(10)
N3 Yb1 N2 . . 63.53(10)
N1 Yb1 N2 . . 64.08(10)
O4 Yb1 O1 7_565 5_665 77.10(12)
O3 Yb1 O1 . 5_665 76.10(14)
O2 Yb1 O1 5_665 5_665 51.40(13)
O5 Yb1 O1 6_566 5_665 143.47(13)
O6 Yb1 O1 6_566 5_665 145.47(13)
N3 Yb1 O1 . 5_665 72.40(13)
N1 Yb1 O1 . 5_665 122.55(12)
N2 Yb1 O1 . 5_665 106.54(12)
O4 Yb1 C30 7_565 6_566 77.36(11)
O3 Yb1 C30 . 6_566 103.67(12)
O2 Yb1 C30 5_665 6_566 154.12(12)
O5 Yb1 C30 6_566 6_566 27.10(11)
O6 Yb1 C30 6_566 6_566 26.87(11)
N3 Yb1 C30 . 6_566 99.94(11)
N1 Yb1 C30 . 6_566 81.83(11)
N2 Yb1 C30 . 6_566 90.67(11)
O1 Yb1 C30 5_665 6_566 154.38(12)
O4 Yb1 C22 7_565 5_665 102.91(12)
O3 Yb1 C22 . 5_665 75.34(13)
O2 Yb1 C22 5_665 5_665 25.66(12)
O5 Yb1 C22 6_566 5_665 153.91(13)
O6 Yb1 C22 6_566 5_665 152.07(13)
N3 Yb1 C22 . 5_665 81.14(14)
N1 Yb1 C22 . 5_665 97.54(13)
N2 Yb1 C22 . 5_665 89.84(12)
O1 Yb1 C22 5_665 5_665 25.99(13)
C30 Yb1 C22 6_566 5_665 178.92(14)
C5 N1 C1 . . 117.0(4)
C5 N1 Yb1 . . 121.1(3)
C1 N1 Yb1 . . 121.2(3)
C6 N2 C10 . . 117.8(3)
C6 N2 Yb1 . . 120.5(3)
C10 N2 Yb1 . . 120.7(2)
C15 N3 C11 . . 117.2(4)
C15 N3 Yb1 . . 121.1(3)
C11 N3 Yb1 . . 121.6(3)
C22 O1 Yb1 . 5_665 86.0(4)
C22 O2 Yb1 . 5_665 98.5(3)
C23 O3 Yb1 . . 159.1(3)
C23 O4 Yb1 . 7_565 150.4(3)
C30 O5 Yb1 . 6_565 95.9(2)
C30 O6 Yb1 . 6_565 88.6(2)
N1 C1 C2 . . 124.1(5)
N1 C1 H1 . . 117.9
C2 C1 H1 . . 117.9
C1 C2 C3 . . 118.0(4)
C1 C2 H2 . . 121.0
C3 C2 H2 . . 121.0
C4 C3 C2 . . 119.4(5)
C4 C3 H3 . . 120.3
C2 C3 H3 . . 120.3
C3 C4 C5 . . 119.1(5)
C3 C4 H4 . . 120.5
C5 C4 H4 . . 120.5
N1 C5 C4 . . 122.3(4)
N1 C5 C6 . . 115.6(4)
C4 C5 C6 . . 122.0(4)
N2 C6 C7 . . 122.5(4)
N2 C6 C5 . . 116.6(4)
C7 C6 C5 . . 120.8(4)
C6 C7 C8 . . 119.8(4)
C6 C7 H7 . . 120.1
C8 C7 H7 . . 120.1
C9 C8 C7 . . 117.0(4)
C9 C8 C16 . . 123.3(4)
C7 C8 C16 . . 119.6(4)
C8 C9 C10 . . 120.5(4)
C8 C9 H9 . . 119.8
C10 C9 H9 . . 119.8
N2 C10 C9 . . 122.2(4)
N2 C10 C11 . . 115.5(3)
C9 C10 C11 . . 122.3(4)
N3 C11 C12 . . 121.9(4)
N3 C11 C10 . . 116.4(4)
C12 C11 C10 . . 121.6(4)
C11 C12 C13 . . 119.9(5)
C11 C12 H12 . . 120.1
C13 C12 H12 . . 120.1
C14 C13 C12 . . 118.3(5)
C14 C13 H13 . . 120.9
C12 C13 H13 . . 120.9
C13 C14 C15 . . 118.9(5)
C13 C14 H14 . . 120.5
C15 C14 H14 . . 120.5
N3 C15 C14 . . 123.8(5)
N3 C15 H15 . . 118.1
C14 C15 H15 . . 118.1
C17 C16 C21 . . 119.4(4)
C17 C16 C8 . . 118.7(4)
C21 C16 C8 . . 121.9(4)
C18 C17 C16 . . 120.8(4)
C18 C17 H17 . . 119.6
C16 C17 H17 . . 119.6
C17 C18 C19 . . 120.2(4)
C17 C18 H18 . . 119.9
C19 C18 H18 . . 119.9
C18 C19 C20 . . 119.6(4)
C18 C19 H19 . . 120.2
C20 C19 H19 . . 120.2
C21 C20 C19 . . 120.9(4)
C21 C20 H20 . . 119.6
C19 C20 H20 . . 119.6
C20 C21 C16 . . 119.0(4)
C20 C21 C22 . . 118.9(4)
C16 C21 C22 . . 120.8(4)
O2 C22 O1 . . 122.9(6)
O2 C22 C21 . . 117.1(4)
O1 C22 C21 . . 119.1(5)
O2 C22 Yb1 . 5_665 55.9(3)
O1 C22 Yb1 . 5_665 68.0(3)
C21 C22 Yb1 . 5_665 159.4(4)
O4 C23 O3 . . 125.0(4)
O4 C23 C24 . . 117.4(3)
O3 C23 C24 . . 117.6(3)
C25 C24 C29 . . 119.6(3)
C25 C24 C23 . . 120.3(3)
C29 C24 C23 . . 120.1(3)
C24 C25 C26 . . 120.5(4)
C24 C25 H25 . . 119.8
C26 C25 H25 . . 119.8
C27 C26 C25 . . 120.5(4)
C27 C26 H26 . . 119.8
C25 C26 H26 . . 119.8
C28 C27 C26 . . 119.2(3)
C28 C27 C30 . . 122.4(4)
C26 C27 C30 . . 118.3(4)
C27 C28 C29 . . 120.6(4)
C27 C28 H28 . . 119.7
C29 C28 H28 . . 119.7
C28 C29 C24 . . 119.7(4)
C28 C29 H29 . . 120.2
C24 C29 H29 . . 120.2
O6 C30 O5 . . 121.2(3)
O6 C30 C27 . . 120.6(4)
O5 C30 C27 . . 118.2(3)
O6 C30 Yb1 . 6_565 64.5(2)
O5 C30 Yb1 . 6_565 56.99(19)
C27 C30 Yb1 . 6_565 172.7(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Yb1 O4 7_565 2.222(3)
Yb1 O3 . 2.245(3)
Yb1 O2 5_665 2.325(4)
Yb1 O5 6_566 2.332(3)
Yb1 O6 6_566 2.498(3)
Yb1 N3 . 2.527(4)
Yb1 N1 . 2.526(4)
Yb1 N2 . 2.539(3)
Yb1 O1 5_665 2.582(5)
Yb1 C30 6_566 2.766(4)
Yb1 C22 5_665 2.778(6)
N1 C5 . 1.343(6)
N1 C1 . 1.347(6)
N2 C6 . 1.347(5)
N2 C10 . 1.343(5)
N3 C15 . 1.338(6)
N3 C11 . 1.339(5)
O1 C22 . 1.221(6)
O1 Yb1 5_665 2.582(5)
O2 C22 . 1.216(6)
O2 Yb1 5_665 2.325(4)
O3 C23 . 1.250(5)
O4 C23 . 1.247(5)
O4 Yb1 7_565 2.222(3)
O5 C30 . 1.267(5)
O5 Yb1 6_565 2.332(3)
O6 C30 . 1.251(5)
O6 Yb1 6_565 2.498(3)
C1 C2 . 1.369(7)
C1 H1 . 0.9300
C2 C3 . 1.381(8)
C2 H2 . 0.9300
C3 C4 . 1.375(7)
C3 H3 . 0.9300
C4 C5 . 1.387(6)
C4 H4 . 0.9300
C5 C6 . 1.482(6)
C6 C7 . 1.379(6)
C7 C8 . 1.400(6)
C7 H7 . 0.9300
C8 C9 . 1.375(6)
C8 C16 . 1.479(5)
C9 C10 . 1.387(5)
C9 H9 . 0.9300
C10 C11 . 1.482(6)
C11 C12 . 1.378(6)
C12 C13 . 1.378(7)
C12 H12 . 0.9300
C13 C14 . 1.366(8)
C13 H13 . 0.9300
C14 C15 . 1.367(7)
C14 H14 . 0.9300
C15 H15 . 0.9300
C16 C17 . 1.383(6)
C16 C21 . 1.399(6)
C17 C18 . 1.375(6)
C17 H17 . 0.9300
C18 C19 . 1.375(7)
C18 H18 . 0.9300
C19 C20 . 1.386(6)
C19 H19 . 0.9300
C20 C21 . 1.386(6)
C20 H20 . 0.9300
C21 C22 . 1.565(7)
C22 Yb1 5_665 2.778(6)
C23 C24 . 1.513(5)
C24 C25 . 1.382(6)
C24 C29 . 1.390(5)
C25 C26 . 1.377(5)
C25 H25 . 0.9300
C26 C27 . 1.385(6)
C26 H26 . 0.9300
C27 C28 . 1.382(6)
C27 C30 . 1.499(5)
C28 C29 . 1.390(6)
C28 H28 . 0.9300
C29 H29 . 0.9300
C30 Yb1 6_565 2.766(4)
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O4 Yb1 N1 C5 7_565 . -149.3(3)
O3 Yb1 N1 C5 . . 150.8(3)
O2 Yb1 N1 C5 5_665 . 66.1(3)
O5 Yb1 N1 C5 6_566 . -77.6(3)
O6 Yb1 N1 C5 6_566 . -129.5(3)
N3 Yb1 N1 C5 . . -7.2(4)
N2 Yb1 N1 C5 . . -8.8(3)
O1 Yb1 N1 C5 5_665 . 85.0(3)
C30 Yb1 N1 C5 6_566 . -103.5(3)
C22 Yb1 N1 C5 5_665 . 77.3(3)
O4 Yb1 N1 C1 7_565 . 40.5(4)
O3 Yb1 N1 C1 . . -19.4(3)
O2 Yb1 N1 C1 5_665 . -104.1(3)
O5 Yb1 N1 C1 6_566 . 112.2(3)
O6 Yb1 N1 C1 6_566 . 60.4(3)
N3 Yb1 N1 C1 . . -177.4(3)
N2 Yb1 N1 C1 . . -179.0(4)
O1 Yb1 N1 C1 5_665 . -85.2(3)
C30 Yb1 N1 C1 6_566 . 86.3(3)
C22 Yb1 N1 C1 5_665 . -92.8(3)
O4 Yb1 N2 C6 7_565 . 152.6(3)
O3 Yb1 N2 C6 . . -31.4(4)
O2 Yb1 N2 C6 5_665 . -82.2(3)
O5 Yb1 N2 C6 6_566 . 99.4(3)
O6 Yb1 N2 C6 6_566 . 59.4(3)
N3 Yb1 N2 C6 . . -178.9(3)
N1 Yb1 N2 C6 . . -0.3(3)
O1 Yb1 N2 C6 5_665 . -118.9(3)
C30 Yb1 N2 C6 6_566 . 80.3(3)
C22 Yb1 N2 C6 5_665 . -98.7(3)
O4 Yb1 N2 C10 7_565 . -15.8(4)
O3 Yb1 N2 C10 . . 160.2(3)
O2 Yb1 N2 C10 5_665 . 109.4(3)
O5 Yb1 N2 C10 6_566 . -69.0(3)
O6 Yb1 N2 C10 6_566 . -109.0(3)
N3 Yb1 N2 C10 . . 12.7(3)
N1 Yb1 N2 C10 . . -168.7(3)
O1 Yb1 N2 C10 5_665 . 72.7(3)
C30 Yb1 N2 C10 6_566 . -88.1(3)
C22 Yb1 N2 C10 5_665 . 92.9(3)
O4 Yb1 N3 C15 7_565 . -26.4(3)
O3 Yb1 N3 C15 . . 33.6(4)
O2 Yb1 N3 C15 5_665 . 104.2(4)
O5 Yb1 N3 C15 6_566 . -110.4(4)
O6 Yb1 N3 C15 6_566 . -92.9(4)
N1 Yb1 N3 C15 . . 171.8(3)
N2 Yb1 N3 C15 . . 173.3(4)
O1 Yb1 N3 C15 5_665 . 53.9(4)
C30 Yb1 N3 C15 6_566 . -100.9(4)
C22 Yb1 N3 C15 5_665 . 79.1(4)
O4 Yb1 N3 C11 7_565 . 154.0(3)
O3 Yb1 N3 C11 . . -146.0(3)
O2 Yb1 N3 C11 5_665 . -75.4(3)
O5 Yb1 N3 C11 6_566 . 70.0(3)
O6 Yb1 N3 C11 6_566 . 87.4(3)
N1 Yb1 N3 C11 . . -7.8(4)
N2 Yb1 N3 C11 . . -6.3(3)
O1 Yb1 N3 C11 5_665 . -125.7(3)
C30 Yb1 N3 C11 6_566 . 79.5(3)
C22 Yb1 N3 C11 5_665 . -100.6(3)
O4 Yb1 O3 C23 7_565 . 69.1(7)
O2 Yb1 O3 C23 5_665 . -60.9(7)
O5 Yb1 O3 C23 6_566 . 142.8(7)
O6 Yb1 O3 C23 6_566 . 149.2(8)
N3 Yb1 O3 C23 . . 11.1(8)
N1 Yb1 O3 C23 . . -136.4(8)
N2 Yb1 O3 C23 . . -108.2(7)
O1 Yb1 O3 C23 5_665 . -8.8(7)
C30 Yb1 O3 C23 6_566 . 144.8(7)
C22 Yb1 O3 C23 5_665 . -35.6(7)
C5 N1 C1 C2 . . -1.7(7)
Yb1 N1 C1 C2 . . 168.8(4)
N1 C1 C2 C3 . . -1.4(8)
C1 C2 C3 C4 . . 2.2(8)
C2 C3 C4 C5 . . 0.0(8)
C1 N1 C5 C4 . . 4.1(6)
Yb1 N1 C5 C4 . . -166.4(4)
C1 N1 C5 C6 . . -173.4(4)
Yb1 N1 C5 C6 . . 16.1(5)
C3 C4 C5 N1 . . -3.4(8)
C3 C4 C5 C6 . . 174.0(5)
C10 N2 C6 C7 . . 1.3(6)
Yb1 N2 C6 C7 . . -167.5(3)
C10 N2 C6 C5 . . 176.8(3)
Yb1 N2 C6 C5 . . 8.1(5)
N1 C5 C6 N2 . . -15.6(5)
C4 C5 C6 N2 . . 166.9(4)
N1 C5 C6 C7 . . 160.0(4)
C4 C5 C6 C7 . . -17.5(6)
N2 C6 C7 C8 . . 3.8(6)
C5 C6 C7 C8 . . -171.6(4)
C6 C7 C8 C9 . . -4.6(6)
C6 C7 C8 C16 . . 171.2(4)
C7 C8 C9 C10 . . 0.7(6)
C16 C8 C9 C10 . . -174.9(4)
C6 N2 C10 C9 . . -5.4(6)
Yb1 N2 C10 C9 . . 163.3(3)
C6 N2 C10 C11 . . 173.8(3)
Yb1 N2 C10 C11 . . -17.5(4)
C8 C9 C10 N2 . . 4.4(6)
C8 C9 C10 C11 . . -174.7(4)
C15 N3 C11 C12 . . -1.9(7)
Yb1 N3 C11 C12 . . 177.8(4)
C15 N3 C11 C10 . . -179.2(4)
Yb1 N3 C11 C10 . . 0.4(5)
N2 C10 C11 N3 . . 11.1(5)
C9 C10 C11 N3 . . -169.8(4)
N2 C10 C11 C12 . . -166.3(4)
C9 C10 C11 C12 . . 12.8(7)
N3 C11 C12 C13 . . 1.8(8)
C10 C11 C12 C13 . . 179.0(5)
C11 C12 C13 C14 . . -0.1(9)
C12 C13 C14 C15 . . -1.2(9)
C11 N3 C15 C14 . . 0.4(7)
Yb1 N3 C15 C14 . . -179.2(4)
C13 C14 C15 N3 . . 1.1(9)
C9 C8 C16 C17 . . 51.8(6)
C7 C8 C16 C17 . . -123.7(4)
C9 C8 C16 C21 . . -129.2(5)
C7 C8 C16 C21 . . 55.3(6)
C21 C16 C17 C18 . . -0.9(7)
C8 C16 C17 C18 . . 178.2(4)
C16 C17 C18 C19 . . -1.6(7)
C17 C18 C19 C20 . . 1.9(7)
C18 C19 C20 C21 . . 0.3(8)
C19 C20 C21 C16 . . -2.7(7)
C19 C20 C21 C22 . . 164.2(5)
C17 C16 C21 C20 . . 3.0(7)
C8 C16 C21 C20 . . -176.1(4)
C17 C16 C21 C22 . . -163.7(4)
C8 C16 C21 C22 . . 17.3(7)
Yb1 O2 C22 O1 5_665 . -12.1(6)
Yb1 O2 C22 C21 5_665 . 157.4(4)
Yb1 O1 C22 O2 5_665 . 10.8(6)
Yb1 O1 C22 C21 5_665 . -158.5(5)
C20 C21 C22 O2 . . -142.1(5)
C16 C21 C22 O2 . . 24.6(7)
C20 C21 C22 O1 . . 27.8(8)
C16 C21 C22 O1 . . -165.5(5)
C20 C21 C22 Yb1 . 5_665 -77.4(9)
C16 C21 C22 Yb1 . 5_665 89.3(9)
Yb1 O4 C23 O3 7_565 . 43.8(8)
Yb1 O4 C23 C24 7_565 . -138.6(4)
Yb1 O3 C23 O4 . . -92.5(8)
Yb1 O3 C23 C24 . . 89.8(8)
O4 C23 C24 C25 . . -172.1(4)
O3 C23 C24 C25 . . 5.7(6)
O4 C23 C24 C29 . . 9.9(6)
O3 C23 C24 C29 . . -172.3(4)
C29 C24 C25 C26 . . 0.8(6)
C23 C24 C25 C26 . . -177.2(4)
C24 C25 C26 C27 . . 0.6(7)
C25 C26 C27 C28 . . -1.5(6)
C25 C26 C27 C30 . . 176.7(4)
C26 C27 C28 C29 . . 0.9(6)
C30 C27 C28 C29 . . -177.2(4)
C27 C28 C29 C24 . . 0.6(6)
C25 C24 C29 C28 . . -1.4(6)
C23 C24 C29 C28 . . 176.6(4)
Yb1 O6 C30 O5 6_565 . 5.9(4)
Yb1 O6 C30 C27 6_565 . -174.1(3)
Yb1 O5 C30 O6 6_565 . -6.4(4)
Yb1 O5 C30 C27 6_565 . 173.6(3)
C28 C27 C30 O6 . . -14.4(6)
C26 C27 C30 O6 . . 167.5(4)
C28 C27 C30 O5 . . 165.6(4)
C26 C27 C30 O5 . . -12.5(6)
C28 C27 C30 Yb1 . 6_565 -147(2)
C26 C27 C30 Yb1 . 6_565 35(2)
