#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:57:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179221 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/45/4314544.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_4314544
loop_
_publ_author_name
'Qi-Bing Bo'
'Guo-Xin Sun'
'Dong-Ling Geng'
_publ_section_title
;
 Novel Three-Dimensional Pillared-Layer Ln(III)-Cu(I) Coordination
 Polymers Featuring Spindle-Shaped Heterometallic Building Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              561
_journal_page_last               571
_journal_paper_doi               10.1021/ic901730f
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C51 H33 Cu3 Yb N9 O12, 4(H2 O)'
_chemical_formula_sum            'C51 H41 Cu3 N9 O16 Yb'
_chemical_formula_weight         1399.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 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                 105.252(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.586(2)
_cell_length_b                   10.4497(10)
_cell_length_c                   21.655(2)
_cell_measurement_temperature    298(2)
_cell_volume                     5149.2(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25378
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    3.103
_exptl_absorpt_correction_T_max  0.3556
_exptl_absorpt_correction_T_min  0.3116
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2780
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.42
_refine_diff_density_max         1.098
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     724
_refine_ls_number_reflns         9085
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0321
_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)+(0.0324P)²+4.0022P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0689
_refine_ls_wR_factor_ref         0.0754
_reflns_number_gt                7169
_reflns_number_total             9085
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901730f_si_002_8.cif
_cod_data_source_block           Yb-Cu
_cod_original_cell_volume        5149.2(9)
_cod_database_code               4314544
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.0000 0.76939(2) 0.7500 0.02084(8) Uani 1 2 d S . .
Yb2 Yb 0.5000 0.46640(2) 0.2500 0.02120(8) Uani 1 2 d S . .
Cu1 Cu 0.21385(3) 0.66712(6) 0.79023(3) 0.03696(16) Uani 1 1 d . . .
Cu2 Cu 0.26945(3) 0.63683(6) 0.30531(3) 0.04098(17) Uani 1 1 d . . .
Cu3 Cu 0.68639(3) 0.04749(6) 0.37683(3) 0.03449(15) Uani 1 1 d . . .
N1 N 0.04665(15) 0.8944(3) 0.68090(17) 0.0247(8) Uani 1 1 d . . .
N2 N 0.0000 0.5351(4) 0.7500 0.0229(11) Uani 1 2 d S . .
N3 N 0.48103(15) 0.3599(3) 0.34463(16) 0.0230(8) Uani 1 1 d . . .
N4 N 0.5000 0.6986(5) 0.2500 0.0307(13) Uani 1 2 d S . .
N5 N 0.22831(17) 0.6810(4) 0.70723(17) 0.0326(9) Uani 1 1 d . . .
N6 N 0.26085(17) 0.6556(4) 0.39098(17) 0.0316(9) Uani 1 1 d . . .
N7 N 0.22275(16) 0.6932(3) 0.88016(16) 0.0278(9) Uani 1 1 d . . .
N8 N 0.25650(17) 0.6601(3) 1.21507(16) 0.0284(9) Uani 1 1 d . . .
N9 N 0.69501(17) 0.0085(3) 0.46482(17) 0.0279(9) Uani 1 1 d . . .
N10 N 0.69193(16) -0.0463(3) 0.79051(16) 0.0284(9) Uani 1 1 d . . .
O1 O 0.06679(13) 0.9265(3) 0.80410(14) 0.0314(7) Uani 1 1 d . . .
O2 O 0.13220(14) 1.0822(3) 0.80586(17) 0.0416(9) Uani 1 1 d . . .
O3 O -0.02346(14) 0.7024(3) 0.64117(14) 0.0334(8) Uani 1 1 d . . .
O4 O -0.02852(18) 0.7401(4) 0.53877(17) 0.0614(11) Uani 1 1 d . . .
O5 O 0.09374(12) 0.6735(3) 0.75869(14) 0.0253(7) Uani 1 1 d . . .
O6 O 0.15255(12) 0.5026(3) 0.77513(14) 0.0280(7) Uani 1 1 d . . .
O7 O 0.41299(13) 0.5347(3) 0.27817(15) 0.0331(8) Uani 1 1 d . . .
O8 O 0.35243(15) 0.5265(4) 0.34228(17) 0.0566(11) Uani 1 1 d . . .
O9 O 0.56491(13) 0.2964(3) 0.29327(14) 0.0275(7) Uani 1 1 d . . .
O10 O 0.60275(14) 0.1569(3) 0.37135(14) 0.0358(8) Uani 1 1 d . . .
O11 O 0.44552(13) 0.5594(3) 0.15339(14) 0.0326(7) Uani 1 1 d . . .
O12 O 0.42258(15) 0.7292(3) 0.08829(16) 0.0461(9) Uani 1 1 d . . .
O13 O 0.9196(2) 0.4994(5) -0.0025(3) 0.0987(17) Uani 1 1 d . . .
H13C H 0.9341 0.4300 0.0147 0.118 Uiso 1 1 d R . .
H13D H 0.9258 0.5040 -0.0393 0.118 Uiso 1 1 d R . .
O14 O 0.9470(3) 0.5281(6) 0.3821(3) 0.146(3) Uani 1 1 d . . .
H14C H 0.9665 0.4634 0.3762 0.176 Uiso 1 1 d R . .
H14D H 0.9710 0.5863 0.3991 0.176 Uiso 1 1 d R . .
O15 O 0.8925(2) 0.9465(6) 0.0597(2) 0.115(2) Uani 1 1 d . . .
H15C H 0.9029 0.9788 0.0969 0.138 Uiso 1 1 d R . .
H15D H 0.9134 0.8810 0.0591 0.138 Uiso 1 1 d R . .
O16 O 0.9685(3) 0.7277(5) 0.0583(3) 0.124(2) Uani 1 1 d . . .
H16C H 0.9894 0.7477 0.0333 0.149 Uiso 1 1 d R . .
H16D H 0.9516 0.6576 0.0454 0.149 Uiso 1 1 d R . .
C1 C 0.09630(19) 1.0016(4) 0.7782(2) 0.0281(11) Uani 1 1 d . . .
C2 C 0.08323(19) 0.9893(4) 0.7062(2) 0.0281(10) Uani 1 1 d . . .
C3 C 0.1066(2) 1.0688(5) 0.6682(3) 0.0436(13) Uani 1 1 d . . .
H3 H 0.1319 1.1349 0.6863 0.052 Uiso 1 1 calc R . .
C4 C 0.0917(2) 1.0486(5) 0.6028(3) 0.0504(15) Uani 1 1 d . . .
H4 H 0.1069 1.1012 0.5765 0.061 Uiso 1 1 calc R . .
C5 C 0.0542(2) 0.9503(5) 0.5771(3) 0.0445(13) Uani 1 1 d . . .
H5 H 0.0442 0.9345 0.5333 0.053 Uiso 1 1 calc R . .
C6 C 0.03178(19) 0.8749(4) 0.6179(2) 0.0298(11) Uani 1 1 d . . .
C7 C -0.0104(2) 0.7641(5) 0.5972(2) 0.0349(11) Uani 1 1 d . . .
C8 C 0.10309(19) 0.5544(4) 0.76465(19) 0.0239(10) Uani 1 1 d . . .
C9 C 0.05022(18) 0.4702(4) 0.7585(2) 0.0246(10) Uani 1 1 d . . .
C10 C 0.0525(2) 0.3385(4) 0.7597(3) 0.0397(13) Uani 1 1 d . . .
H10 H 0.0882 0.2956 0.7669 0.048 Uiso 1 1 calc R . .
C11 C 0.0000 0.2714(7) 0.7500 0.051(2) Uani 1 2 d S . .
H11 H 0.0000 0.1824 0.7500 0.061 Uiso 1 2 calc SR . .
C12 C 0.39777(19) 0.4977(5) 0.3265(2) 0.0349(12) Uani 1 1 d . . .
C13 C 0.43971(19) 0.4062(4) 0.3703(2) 0.0287(10) Uani 1 1 d . . .
C14 C 0.4376(2) 0.3749(5) 0.4317(2) 0.0402(13) Uani 1 1 d . . .
H14 H 0.4087 0.4094 0.4488 0.048 Uiso 1 1 calc R . .
C15 C 0.4788(2) 0.2921(5) 0.4670(2) 0.0474(14) Uani 1 1 d . . .
H15 H 0.4783 0.2699 0.5084 0.057 Uiso 1 1 calc R . .
C16 C 0.5210(2) 0.2425(5) 0.4402(2) 0.0407(13) Uani 1 1 d . . .
H16 H 0.5490 0.1851 0.4629 0.049 Uiso 1 1 calc R . .
C17 C 0.52082(19) 0.2800(4) 0.3788(2) 0.0280(10) Uani 1 1 d . . .
C18 C 0.56710(19) 0.2400(4) 0.3451(2) 0.0238(10) Uani 1 1 d . . .
C19 C 0.44455(19) 0.6779(5) 0.1407(2) 0.0302(11) Uani 1 1 d . . .
C20 C 0.4734(2) 0.7630(4) 0.1968(2) 0.0357(12) Uani 1 1 d . . .
C21 C 0.4730(3) 0.8953(5) 0.1957(3) 0.0635(18) Uani 1 1 d . . .
H21 H 0.4546 0.9388 0.1583 0.076 Uiso 1 1 calc R . .
C22 C 0.5000 0.9618(8) 0.2500 0.078(3) Uani 1 2 d S . .
H22 H 0.5000 1.0508 0.2500 0.094 Uiso 1 2 calc SR . .
C23 C 0.1859(2) 0.7203(5) 0.6569(2) 0.0373(12) Uani 1 1 d . . .
H23 H 0.1511 0.7506 0.6640 0.045 Uiso 1 1 calc R . .
C24 C 0.1910(2) 0.7184(5) 0.5951(2) 0.0353(12) Uani 1 1 d . . .
H24 H 0.1601 0.7468 0.5616 0.042 Uiso 1 1 calc R . .
C25 C 0.24273(19) 0.6736(4) 0.5827(2) 0.0259(10) Uani 1 1 d . . .
C26 C 0.2868(2) 0.6340(4) 0.6351(2) 0.0286(10) Uani 1 1 d . . .
H26 H 0.3222 0.6037 0.6294 0.034 Uiso 1 1 calc R . .
C27 C 0.2784(2) 0.6394(4) 0.6958(2) 0.0292(11) Uani 1 1 d . . .
H27 H 0.3087 0.6129 0.7303 0.035 Uiso 1 1 calc R . .
C28 C 0.3076(2) 0.6691(4) 0.4413(2) 0.0324(11) Uani 1 1 d . . .
H28 H 0.3446 0.6749 0.4339 0.039 Uiso 1 1 calc R . .
C29 C 0.3035(2) 0.6749(4) 0.5036(2) 0.0295(11) Uani 1 1 d . . .
H29 H 0.3373 0.6845 0.5370 0.035 Uiso 1 1 calc R . .
C30 C 0.24885(19) 0.6665(4) 0.5164(2) 0.0258(10) Uani 1 1 d . . .
C31 C 0.2007(2) 0.6526(5) 0.4646(2) 0.0350(12) Uani 1 1 d . . .
H31 H 0.1633 0.6460 0.4709 0.042 Uiso 1 1 calc R . .
C32 C 0.2079(2) 0.6485(5) 0.4030(2) 0.0360(12) Uani 1 1 d . . .
H32 H 0.1748 0.6405 0.3686 0.043 Uiso 1 1 calc R . .
C33 C 0.1769(2) 0.7203(4) 0.9042(2) 0.0302(11) Uani 1 1 d . . .
H33 H 0.1408 0.7393 0.8760 0.036 Uiso 1 1 calc R . .
C34 C 0.18157(19) 0.7207(4) 0.9693(2) 0.0291(11) Uani 1 1 d . . .
H34 H 0.1488 0.7387 0.9840 0.035 Uiso 1 1 calc R . .
C35 C 0.23509(18) 0.6945(4) 1.0127(2) 0.0225(9) Uani 1 1 d . . .
C36 C 0.28241(19) 0.6692(4) 0.9875(2) 0.0272(10) Uani 1 1 d . . .
H36 H 0.3193 0.6525 1.0146 0.033 Uiso 1 1 calc R . .
C37 C 0.2744(2) 0.6691(4) 0.9220(2) 0.0300(11) Uani 1 1 d . . .
H37 H 0.3066 0.6513 0.9062 0.036 Uiso 1 1 calc R . .
C38 C 0.3015(2) 0.6953(4) 1.1904(2) 0.0317(11) Uani 1 1 d . . .
H38 H 0.3381 0.7101 1.2185 0.038 Uiso 1 1 calc R . .
C39 C 0.29525(19) 0.7098(4) 1.1262(2) 0.0273(10) Uani 1 1 d . . .
H39 H 0.3274 0.7347 1.1118 0.033 Uiso 1 1 calc R . .
C40 C 0.24178(18) 0.6881(4) 1.08247(19) 0.0228(9) Uani 1 1 d . . .
C41 C 0.19493(19) 0.6535(4) 1.1077(2) 0.0283(10) Uani 1 1 d . . .
H41 H 0.1579 0.6383 1.0806 0.034 Uiso 1 1 calc R . .
C42 C 0.2043(2) 0.6423(4) 1.1728(2) 0.0284(10) Uani 1 1 d . . .
H42 H 0.1724 0.6211 1.1885 0.034 Uiso 1 1 calc R . .
C43 C 0.6462(2) -0.0191(4) 0.4829(2) 0.0311(11) Uani 1 1 d . . .
H43 H 0.6114 -0.0305 0.4512 0.037 Uiso 1 1 calc R . .
C44 C 0.6448(2) -0.0314(4) 0.5457(2) 0.0290(10) Uani 1 1 d . . .
H44 H 0.6095 -0.0492 0.5556 0.035 Uiso 1 1 calc R . .
C45 C 0.69589(19) -0.0172(4) 0.5941(2) 0.0247(10) Uani 1 1 d . . .
C46 C 0.7468(2) 0.0082(4) 0.5757(2) 0.0286(10) Uani 1 1 d . . .
H46 H 0.7823 0.0178 0.6066 0.034 Uiso 1 1 calc R . .
C47 C 0.7449(2) 0.0193(4) 0.5121(2) 0.0284(11) Uani 1 1 d . . .
H47 H 0.7798 0.0350 0.5011 0.034 Uiso 1 1 calc R . .
C48 C 0.6503(2) -0.0988(5) 0.7433(2) 0.0371(12) Uani 1 1 d . . .
H48 H 0.6193 -0.1411 0.7537 0.045 Uiso 1 1 calc R . .
C49 C 0.6511(2) -0.0930(5) 0.6804(2) 0.0362(12) Uani 1 1 d . . .
H49 H 0.6215 -0.1329 0.6495 0.043 Uiso 1 1 calc R . .
C50 C 0.69526(19) -0.0287(4) 0.6625(2) 0.0254(10) Uani 1 1 d . . .
C51 C 0.7391(2) 0.0236(4) 0.7114(2) 0.0317(11) Uani 1 1 d . . .
H51 H 0.7706 0.0659 0.7022 0.038 Uiso 1 1 calc R . .
C52 C 0.7358(2) 0.0128(4) 0.7735(2) 0.0323(11) Uani 1 1 d . . .
H52 H 0.7658 0.0486 0.8057 0.039 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'
O O 0.0106 0.0060 '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'
Cu Cu 0.3201 1.2651 '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
O1 Yb1 O1 91.92(15) . 2_556 ?
O1 Yb1 O3 130.29(10) . . ?
O1 Yb1 O3 76.26(11) 2_556 . ?
O1 Yb1 O3 76.26(11) . 2_556 ?
O1 Yb1 O3 130.29(10) 2_556 2_556 ?
O3 Yb1 O3 145.76(15) . 2_556 ?
O1 Yb1 O5 144.42(10) . 2_556 ?
O1 Yb1 O5 76.70(10) 2_556 2_556 ?
O3 Yb1 O5 80.17(10) . 2_556 ?
O3 Yb1 O5 85.63(10) 2_556 2_556 ?
O1 Yb1 O5 76.70(10) . . ?
O1 Yb1 O5 144.42(10) 2_556 . ?
O3 Yb1 O5 85.63(10) . . ?
O3 Yb1 O5 80.17(10) 2_556 . ?
O5 Yb1 O5 130.39(13) 2_556 . ?
O1 Yb1 N2 134.04(8) . . ?
O1 Yb1 N2 134.04(8) 2_556 . ?
O3 Yb1 N2 72.88(8) . . ?
O3 Yb1 N2 72.88(8) 2_556 . ?
O5 Yb1 N2 65.19(7) 2_556 . ?
O5 Yb1 N2 65.19(7) . . ?
O1 Yb1 N1 71.04(10) . 2_556 ?
O1 Yb1 N1 65.47(11) 2_556 2_556 ?
O3 Yb1 N1 137.36(11) . 2_556 ?
O3 Yb1 N1 65.02(11) 2_556 2_556 ?
O5 Yb1 N1 73.58(10) 2_556 2_556 ?
O5 Yb1 N1 136.83(11) . 2_556 ?
N2 Yb1 N1 122.16(8) . 2_556 ?
O1 Yb1 N1 65.47(11) . . ?
O1 Yb1 N1 71.04(10) 2_556 . ?
O3 Yb1 N1 65.02(11) . . ?
O3 Yb1 N1 137.36(11) 2_556 . ?
O5 Yb1 N1 136.83(11) 2_556 . ?
O5 Yb1 N1 73.58(10) . . ?
N2 Yb1 N1 122.16(8) . . ?
N1 Yb1 N1 115.68(16) 2_556 . ?
O11 Yb2 O11 131.33(15) 2_655 . ?
O11 Yb2 O9 143.51(10) 2_655 2_655 ?
O11 Yb2 O9 79.25(10) . 2_655 ?
O11 Yb2 O9 79.25(10) 2_655 . ?
O11 Yb2 O9 143.51(10) . . ?
O9 Yb2 O9 82.98(15) 2_655 . ?
O11 Yb2 O7 87.41(11) 2_655 . ?
O11 Yb2 O7 78.46(10) . . ?
O9 Yb2 O7 79.44(10) 2_655 . ?
O9 Yb2 O7 129.00(10) . . ?
O11 Yb2 O7 78.46(10) 2_655 2_655 ?
O11 Yb2 O7 87.41(11) . 2_655 ?
O9 Yb2 O7 129.00(10) 2_655 2_655 ?
O9 Yb2 O7 79.44(10) . 2_655 ?
O7 Yb2 O7 145.37(15) . 2_655 ?
O11 Yb2 N4 65.67(7) 2_655 . ?
O11 Yb2 N4 65.67(7) . . ?
O9 Yb2 N4 138.51(7) 2_655 . ?
O9 Yb2 N4 138.51(7) . . ?
O7 Yb2 N4 72.68(7) . . ?
O7 Yb2 N4 72.68(7) 2_655 . ?
O11 Yb2 N3 68.01(11) 2_655 . ?
O11 Yb2 N3 138.19(11) . . ?
O9 Yb2 N3 75.61(10) 2_655 . ?
O9 Yb2 N3 64.81(10) . . ?
O7 Yb2 N3 64.53(10) . . ?
O7 Yb2 N3 134.26(11) 2_655 . ?
N4 Yb2 N3 116.74(8) . . ?
O11 Yb2 N3 138.19(11) 2_655 2_655 ?
O11 Yb2 N3 68.01(11) . 2_655 ?
O9 Yb2 N3 64.81(10) 2_655 2_655 ?
O9 Yb2 N3 75.61(10) . 2_655 ?
O7 Yb2 N3 134.26(11) . 2_655 ?
O7 Yb2 N3 64.53(10) 2_655 2_655 ?
N4 Yb2 N3 116.74(8) . 2_655 ?
N3 Yb2 N3 126.52(15) . 2_655 ?
N5 Cu1 N7 159.73(16) . . ?
N5 Cu1 O6 100.97(13) . . ?
N7 Cu1 O6 98.79(13) . . ?
N8 Cu2 N6 160.22(16) 1_554 . ?
N8 Cu2 O8 108.77(14) 1_554 . ?
N6 Cu2 O8 90.68(14) . . ?
N9 Cu3 N10 163.97(16) . 4 ?
N9 Cu3 O10 91.30(13) . . ?
N10 Cu3 O10 103.65(13) 4 . ?
C6 N1 C2 120.1(4) . . ?
C6 N1 Yb1 120.2(3) . . ?
C2 N1 Yb1 119.4(3) . . ?
C9 N2 C9 118.9(5) 2_556 . ?
C9 N2 Yb1 120.5(3) 2_556 . ?
C9 N2 Yb1 120.5(3) . . ?
C17 N3 C13 118.9(4) . . ?
C17 N3 Yb2 119.3(3) . . ?
C13 N3 Yb2 119.6(3) . . ?
C20 N4 C20 119.7(6) 2_655 . ?
C20 N4 Yb2 120.2(3) 2_655 . ?
C20 N4 Yb2 120.2(3) . . ?
C23 N5 C27 117.2(4) . . ?
C23 N5 Cu1 120.5(3) . . ?
C27 N5 Cu1 122.0(3) . . ?
C28 N6 C32 117.2(4) . . ?
C28 N6 Cu2 121.5(3) . . ?
C32 N6 Cu2 121.3(3) . . ?
C37 N7 C33 117.3(4) . . ?
C37 N7 Cu1 119.8(3) . . ?
C33 N7 Cu1 122.4(3) . . ?
C42 N8 C38 116.2(4) . . ?
C42 N8 Cu2 123.5(3) . 1_556 ?
C38 N8 Cu2 120.3(3) . 1_556 ?
C43 N9 C47 116.1(4) . . ?
C43 N9 Cu3 117.6(3) . . ?
C47 N9 Cu3 125.8(3) . . ?
C48 N10 C52 116.5(4) . . ?
C48 N10 Cu3 121.4(3) . 4_556 ?
C52 N10 Cu3 122.0(3) . 4_556 ?
C1 O1 Yb1 125.5(3) . . ?
C7 O3 Yb1 124.1(3) . . ?
C8 O5 Yb1 123.6(3) . . ?
C8 O6 Cu1 103.4(3) . . ?
C12 O7 Yb2 124.9(3) . . ?
C12 O8 Cu2 139.8(3) . . ?
C18 O9 Yb2 125.1(3) . . ?
C18 O10 Cu3 149.1(3) . . ?
C19 O11 Yb2 124.7(3) . . ?
H13C O13 H13D 108.1 . . ?
H14C O14 H14D 108.2 . . ?
H15C O15 H15D 108.3 . . ?
H16C O16 H16D 107.9 . . ?
O2 C1 O1 126.3(4) . . ?
O2 C1 C2 119.1(4) . . ?
O1 C1 C2 114.5(4) . . ?
N1 C2 C3 121.2(4) . . ?
N1 C2 C1 114.9(4) . . ?
C3 C2 C1 123.9(4) . . ?
C2 C3 C4 119.0(5) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 119.5(5) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 118.5(5) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
N1 C6 C5 121.5(4) . . ?
N1 C6 C7 113.3(4) . . ?
C5 C6 C7 125.1(4) . . ?
O4 C7 O3 125.4(5) . . ?
O4 C7 C6 118.4(4) . . ?
O3 C7 C6 116.2(4) . . ?
O6 C8 O5 125.0(4) . . ?
O6 C8 C9 118.3(4) . . ?
O5 C8 C9 116.7(4) . . ?
N2 C9 C10 122.6(4) . . ?
N2 C9 C8 113.6(4) . . ?
C10 C9 C8 123.8(4) . . ?
C9 C10 C11 118.2(5) . . ?
C9 C10 H10 120.9 . . ?
C11 C10 H10 120.9 . . ?
C10 C11 C10 119.4(6) 2_556 . ?
C10 C11 H11 120.3 2_556 . ?
C10 C11 H11 120.3 . . ?
O8 C12 O7 127.7(5) . . ?
O8 C12 C13 116.6(4) . . ?
O7 C12 C13 115.7(4) . . ?
N3 C13 C14 122.1(4) . . ?
N3 C13 C12 113.3(4) . . ?
C14 C13 C12 124.6(4) . . ?
C15 C14 C13 119.0(4) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C14 C15 C16 119.1(4) . . ?
C14 C15 H15 120.4 . . ?
C16 C15 H15 120.4 . . ?
C15 C16 C17 118.5(5) . . ?
C15 C16 H16 120.8 . . ?
C17 C16 H16 120.8 . . ?
N3 C17 C16 122.4(4) . . ?
N3 C17 C18 113.4(4) . . ?
C16 C17 C18 124.1(4) . . ?
O10 C18 O9 127.1(4) . . ?
O10 C18 C17 117.3(4) . . ?
O9 C18 C17 115.7(4) . . ?
O12 C19 O11 126.9(5) . . ?
O12 C19 C20 118.2(4) . . ?
O11 C19 C20 114.9(4) . . ?
N4 C20 C21 121.2(5) . . ?
N4 C20 C19 113.9(4) . . ?
C21 C20 C19 124.9(5) . . ?
C22 C21 C20 119.5(6) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C21 C22 C21 119.1(8) . 2_655 ?
C21 C22 H22 120.5 . . ?
C21 C22 H22 120.5 2_655 . ?
N5 C23 C24 123.5(4) . . ?
N5 C23 H23 118.3 . . ?
C24 C23 H23 118.3 . . ?
C23 C24 C25 119.7(4) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C26 C25 C24 116.6(4) . . ?
C26 C25 C30 122.3(4) . . ?
C24 C25 C30 121.0(4) . . ?
C27 C26 C25 120.1(4) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
N5 C27 C26 122.9(4) . . ?
N5 C27 H27 118.6 . . ?
C26 C27 H27 118.6 . . ?
N6 C28 C29 123.3(4) . . ?
N6 C28 H28 118.4 . . ?
C29 C28 H28 118.4 . . ?
C28 C29 C30 119.9(4) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C31 C30 C29 117.0(4) . . ?
C31 C30 C25 121.6(4) . . ?
C29 C30 C25 121.4(4) . . ?
C30 C31 C32 120.1(4) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
N6 C32 C31 122.6(4) . . ?
N6 C32 H32 118.7 . . ?
C31 C32 H32 118.7 . . ?
N7 C33 C34 122.5(4) . . ?
N7 C33 H33 118.7 . . ?
C34 C33 H33 118.7 . . ?
C33 C34 C35 120.2(4) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C34 C35 C36 116.9(4) . . ?
C34 C35 C40 122.3(4) . . ?
C36 C35 C40 120.8(4) . . ?
C37 C36 C35 119.8(4) . . ?
C37 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
N7 C37 C36 123.4(4) . . ?
N7 C37 H37 118.3 . . ?
C36 C37 H37 118.3 . . ?
N8 C38 C39 123.0(4) . . ?
N8 C38 H38 118.5 . . ?
C39 C38 H38 118.5 . . ?
C38 C39 C40 120.8(4) . . ?
C38 C39 H39 119.6 . . ?
C40 C39 H39 119.6 . . ?
C39 C40 C41 116.5(4) . . ?
C39 C40 C35 121.7(4) . . ?
C41 C40 C35 121.7(4) . . ?
C42 C41 C40 119.4(4) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
N8 C42 C41 124.1(4) . . ?
N8 C42 H42 118.0 . . ?
C41 C42 H42 118.0 . . ?
N9 C43 C44 123.7(4) . . ?
N9 C43 H43 118.1 . . ?
C44 C43 H43 118.1 . . ?
C43 C44 C45 119.8(4) . . ?
C43 C44 H44 120.1 . . ?
C45 C44 H44 120.1 . . ?
C44 C45 C46 116.8(4) . . ?
C44 C45 C50 120.7(4) . . ?
C46 C45 C50 122.5(4) . . ?
C47 C46 C45 120.2(4) . . ?
C47 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
N9 C47 C46 123.3(4) . . ?
N9 C47 H47 118.3 . . ?
C46 C47 H47 118.3 . . ?
N10 C48 C49 122.9(4) . . ?
N10 C48 H48 118.5 . . ?
C49 C48 H48 118.5 . . ?
C48 C49 C50 120.8(4) . . ?
C48 C49 H49 119.6 . . ?
C50 C49 H49 119.6 . . ?
C49 C50 C51 116.4(4) . . ?
C49 C50 C45 121.7(4) . . ?
C51 C50 C45 121.9(4) . . ?
C52 C51 C50 119.6(4) . . ?
C52 C51 H51 120.2 . . ?
C50 C51 H51 120.2 . . ?
N10 C52 C51 123.7(4) . . ?
N10 C52 H52 118.1 . . ?
C51 C52 H52 118.1 . . ?
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
Yb1 O1 2.362(3) . ?
Yb1 O1 2.362(3) 2_556 ?
Yb1 O3 2.380(3) . ?
Yb1 O3 2.380(3) 2_556 ?
Yb1 O5 2.390(3) 2_556 ?
Yb1 O5 2.390(3) . ?
Yb1 N2 2.448(5) . ?
Yb1 N1 2.454(3) 2_556 ?
Yb1 N1 2.454(3) . ?
Yb2 O11 2.357(3) 2_655 ?
Yb2 O11 2.357(3) . ?
Yb2 O9 2.371(3) 2_655 ?
Yb2 O9 2.371(3) . ?
Yb2 O7 2.398(3) . ?
Yb2 O7 2.398(3) 2_655 ?
Yb2 N4 2.427(5) . ?
Yb2 N3 2.474(3) . ?
Yb2 N3 2.474(3) 2_655 ?
Cu1 N5 1.921(3) . ?
Cu1 N7 1.922(3) . ?
Cu1 O6 2.214(3) . ?
Cu2 N8 1.912(3) 1_554 ?
Cu2 N6 1.928(3) . ?
Cu2 O8 2.231(3) . ?
Cu3 N9 1.906(4) . ?
Cu3 N10 1.908(3) 4 ?
Cu3 O10 2.256(3) . ?
N1 C6 1.332(6) . ?
N1 C2 1.334(5) . ?
N2 C9 1.335(5) 2_556 ?
N2 C9 1.335(5) . ?
N3 C17 1.326(5) . ?
N3 C13 1.333(5) . ?
N4 C20 1.339(5) 2_655 ?
N4 C20 1.339(5) . ?
N5 C23 1.335(6) . ?
N5 C27 1.341(6) . ?
N6 C28 1.338(6) . ?
N6 C32 1.342(6) . ?
N7 C37 1.337(6) . ?
N7 C33 1.347(5) . ?
N8 C42 1.341(6) . ?
N8 C38 1.357(5) . ?
N8 Cu2 1.912(3) 1_556 ?
N9 C43 1.341(5) . ?
N9 C47 1.346(6) . ?
N10 C48 1.335(6) . ?
N10 C52 1.337(5) . ?
N10 Cu3 1.908(3) 4_556 ?
O1 C1 1.273(5) . ?
O2 C1 1.233(5) . ?
O3 C7 1.254(5) . ?
O4 C7 1.249(6) . ?
O5 C8 1.264(5) . ?
O6 C8 1.251(5) . ?
O7 C12 1.253(5) . ?
O8 C12 1.242(5) . ?
O9 C18 1.256(5) . ?
O10 C18 1.239(5) . ?
O11 C19 1.268(5) . ?
O12 C19 1.238(5) . ?
O13 H13C 0.8456 . ?
O13 H13D 0.8479 . ?
O14 H14C 0.8458 . ?
O14 H14D 0.8460 . ?
O15 H15C 0.8474 . ?
O15 H15D 0.8457 . ?
O16 H16C 0.8476 . ?
O16 H16D 0.8455 . ?
C1 C2 1.513(6) . ?
C2 C3 1.381(6) . ?
C3 C4 1.382(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.374(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.389(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.516(7) . ?
C8 C9 1.503(6) . ?
C9 C10 1.377(6) . ?
C10 C11 1.390(6) . ?
C10 H10 0.9300 . ?
C11 C10 1.390(6) 2_556 ?
C11 H11 0.9300 . ?
C12 C13 1.517(6) . ?
C13 C14 1.382(6) . ?
C14 C15 1.375(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.378(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.387(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.522(6) . ?
C19 C20 1.515(7) . ?
C20 C21 1.382(7) . ?
C21 C22 1.370(7) . ?
C21 H21 0.9300 . ?
C22 C21 1.370(7) 2_655 ?
C22 H22 0.9300 . ?
C23 C24 1.375(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.397(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.386(6) . ?
C25 C30 1.482(6) . ?
C26 C27 1.382(6) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.378(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.392(6) . ?
C29 H29 0.9300 . ?
C30 C31 1.378(6) . ?
C31 C32 1.390(6) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.385(6) . ?
C33 H33 0.9300 . ?
C34 C35 1.388(6) . ?
C34 H34 0.9300 . ?
C35 C36 1.391(6) . ?
C35 C40 1.479(6) . ?
C36 C37 1.380(6) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 C39 1.369(6) . ?
C38 H38 0.9300 . ?
C39 C40 1.382(6) . ?
C39 H39 0.9300 . ?
C40 C41 1.403(6) . ?
C41 C42 1.373(6) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C44 1.376(6) . ?
C43 H43 0.9300 . ?
C44 C45 1.382(6) . ?
C44 H44 0.9300 . ?
C45 C46 1.387(6) . ?
C45 C50 1.489(6) . ?
C46 C47 1.370(6) . ?
C46 H46 0.9300 . ?
C47 H47 0.9300 . ?
C48 C49 1.368(6) . ?
C48 H48 0.9300 . ?
C49 C50 1.380(6) . ?
C49 H49 0.9300 . ?
C50 C51 1.384(6) . ?
C51 C52 1.373(6) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
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
O1 Yb1 N1 C6 -177.2(3) . . . . ?
O1 Yb1 N1 C6 -75.9(3) 2_556 . . . ?
O3 Yb1 N1 C6 7.4(3) . . . . ?
O3 Yb1 N1 C6 154.6(3) 2_556 . . . ?
O5 Yb1 N1 C6 -32.1(4) 2_556 . . . ?
O5 Yb1 N1 C6 100.3(3) . . . . ?
N2 Yb1 N1 C6 54.8(3) . . . . ?
N1 Yb1 N1 C6 -125.2(3) 2_556 . . . ?
O1 Yb1 N1 C2 -2.8(3) . . . . ?
O1 Yb1 N1 C2 98.5(3) 2_556 . . . ?
O3 Yb1 N1 C2 -178.3(3) . . . . ?
O3 Yb1 N1 C2 -31.1(4) 2_556 . . . ?
O5 Yb1 N1 C2 142.3(3) 2_556 . . . ?
O5 Yb1 N1 C2 -85.4(3) . . . . ?
N2 Yb1 N1 C2 -130.8(3) . . . . ?
N1 Yb1 N1 C2 49.2(3) 2_556 . . . ?
O1 Yb1 N2 C9 147.1(2) . . . 2_556 ?
O1 Yb1 N2 C9 -32.9(2) 2_556 . . 2_556 ?
O3 Yb1 N2 C9 -82.8(2) . . . 2_556 ?
O3 Yb1 N2 C9 97.2(2) 2_556 . . 2_556 ?
O5 Yb1 N2 C9 4.0(2) 2_556 . . 2_556 ?
O5 Yb1 N2 C9 -176.0(2) . . . 2_556 ?
N1 Yb1 N2 C9 52.8(2) 2_556 . . 2_556 ?
N1 Yb1 N2 C9 -127.2(2) . . . 2_556 ?
O1 Yb1 N2 C9 -32.9(2) . . . . ?
O1 Yb1 N2 C9 147.1(2) 2_556 . . . ?
O3 Yb1 N2 C9 97.2(2) . . . . ?
O3 Yb1 N2 C9 -82.8(2) 2_556 . . . ?
O5 Yb1 N2 C9 -176.0(2) 2_556 . . . ?
O5 Yb1 N2 C9 4.0(2) . . . . ?
N1 Yb1 N2 C9 -127.2(2) 2_556 . . . ?
N1 Yb1 N2 C9 52.8(2) . . . . ?
O11 Yb2 N3 C17 -76.2(3) 2_655 . . . ?
O11 Yb2 N3 C17 155.7(3) . . . . ?
O9 Yb2 N3 C17 100.8(3) 2_655 . . . ?
O9 Yb2 N3 C17 11.9(3) . . . . ?
O7 Yb2 N3 C17 -174.2(4) . . . . ?
O7 Yb2 N3 C17 -30.2(4) 2_655 . . . ?
N4 Yb2 N3 C17 -121.7(3) . . . . ?
N3 Yb2 N3 C17 58.3(3) 2_655 . . . ?
O11 Yb2 N3 C13 86.6(3) 2_655 . . . ?
O11 Yb2 N3 C13 -41.4(4) . . . . ?
O9 Yb2 N3 C13 -96.3(3) 2_655 . . . ?
O9 Yb2 N3 C13 174.8(3) . . . . ?
O7 Yb2 N3 C13 -11.3(3) . . . . ?
O7 Yb2 N3 C13 132.6(3) 2_655 . . . ?
N4 Yb2 N3 C13 41.2(3) . . . . ?
N3 Yb2 N3 C13 -138.8(3) 2_655 . . . ?
O11 Yb2 N4 C20 -3.8(2) 2_655 . . 2_655 ?
O11 Yb2 N4 C20 176.2(2) . . . 2_655 ?
O9 Yb2 N4 C20 141.4(3) 2_655 . . 2_655 ?
O9 Yb2 N4 C20 -38.6(3) . . . 2_655 ?
O7 Yb2 N4 C20 91.3(2) . . . 2_655 ?
O7 Yb2 N4 C20 -88.7(2) 2_655 . . 2_655 ?
N3 Yb2 N4 C20 42.7(3) . . . 2_655 ?
N3 Yb2 N4 C20 -137.3(3) 2_655 . . 2_655 ?
O11 Yb2 N4 C20 176.2(2) 2_655 . . . ?
O11 Yb2 N4 C20 -3.8(2) . . . . ?
O9 Yb2 N4 C20 -38.6(3) 2_655 . . . ?
O9 Yb2 N4 C20 141.4(3) . . . . ?
O7 Yb2 N4 C20 -88.7(2) . . . . ?
O7 Yb2 N4 C20 91.3(2) 2_655 . . . ?
N3 Yb2 N4 C20 -137.3(3) . . . . ?
N3 Yb2 N4 C20 42.7(3) 2_655 . . . ?
N7 Cu1 N5 C23 -123.7(5) . . . . ?
O6 Cu1 N5 C23 69.4(4) . . . . ?
N7 Cu1 N5 C27 63.5(7) . . . . ?
O6 Cu1 N5 C27 -103.4(3) . . . . ?
N8 Cu2 N6 C28 -134.9(5) 1_554 . . . ?
O8 Cu2 N6 C28 34.8(4) . . . . ?
N8 Cu2 N6 C32 48.8(7) 1_554 . . . ?
O8 Cu2 N6 C32 -141.5(4) . . . . ?
N5 Cu1 N7 C37 -55.0(6) . . . . ?
O6 Cu1 N7 C37 112.0(3) . . . . ?
N5 Cu1 N7 C33 133.3(5) . . . . ?
O6 Cu1 N7 C33 -59.7(4) . . . . ?
N10 Cu3 N9 C43 -120.5(6) 4 . . . ?
O10 Cu3 N9 C43 38.6(3) . . . . ?
N10 Cu3 N9 C47 67.1(7) 4 . . . ?
O10 Cu3 N9 C47 -133.8(4) . . . . ?
O1 Yb1 O1 C1 -68.7(3) 2_556 . . . ?
O3 Yb1 O1 C1 4.9(4) . . . . ?
O3 Yb1 O1 C1 160.2(3) 2_556 . . . ?
O5 Yb1 O1 C1 -138.3(3) 2_556 . . . ?
O5 Yb1 O1 C1 77.2(3) . . . . ?
N2 Yb1 O1 C1 111.3(3) . . . . ?
N1 Yb1 O1 C1 -131.9(3) 2_556 . . . ?
N1 Yb1 O1 C1 -0.6(3) . . . . ?
O1 Yb1 O3 C7 -15.4(4) . . . . ?
O1 Yb1 O3 C7 65.3(3) 2_556 . . . ?
O3 Yb1 O3 C7 -149.3(4) 2_556 . . . ?
O5 Yb1 O3 C7 143.8(4) 2_556 . . . ?
O5 Yb1 O3 C7 -83.9(3) . . . . ?
N2 Yb1 O3 C7 -149.3(4) . . . . ?
N1 Yb1 O3 C7 91.6(4) 2_556 . . . ?
N1 Yb1 O3 C7 -10.0(3) . . . . ?
O1 Yb1 O5 C8 147.7(3) . . . . ?
O1 Yb1 O5 C8 -138.0(3) 2_556 . . . ?
O3 Yb1 O5 C8 -79.1(3) . . . . ?
O3 Yb1 O5 C8 69.7(3) 2_556 . . . ?
O5 Yb1 O5 C8 -5.9(3) 2_556 . . . ?
N2 Yb1 O5 C8 -5.9(3) . . . . ?
N1 Yb1 O5 C8 105.5(3) 2_556 . . . ?
N1 Yb1 O5 C8 -144.3(3) . . . . ?
N5 Cu1 O6 C8 -98.4(3) . . . . ?
N7 Cu1 O6 C8 86.1(3) . . . . ?
O11 Yb2 O7 C12 -62.4(4) 2_655 . . . ?
O11 Yb2 O7 C12 164.4(4) . . . . ?
O9 Yb2 O7 C12 83.4(4) 2_655 . . . ?
O9 Yb2 O7 C12 11.5(4) . . . . ?
O7 Yb2 O7 C12 -127.7(4) 2_655 . . . ?
N4 Yb2 O7 C12 -127.7(4) . . . . ?
N3 Yb2 O7 C12 4.4(4) . . . . ?
N3 Yb2 O7 C12 121.5(4) 2_655 . . . ?
N8 Cu2 O8 C12 18.8(6) 1_554 . . . ?
N6 Cu2 O8 C12 -157.5(6) . . . . ?
O11 Yb2 O9 C18 62.1(3) 2_655 . . . ?
O11 Yb2 O9 C18 -147.1(3) . . . . ?
O9 Yb2 O9 C18 -85.9(3) 2_655 . . . ?
O7 Yb2 O9 C18 -15.6(4) . . . . ?
O7 Yb2 O9 C18 142.2(3) 2_655 . . . ?
N4 Yb2 O9 C18 94.1(3) . . . . ?
N3 Yb2 O9 C18 -8.6(3) . . . . ?
N3 Yb2 O9 C18 -151.6(3) 2_655 . . . ?
N9 Cu3 O10 C18 156.5(6) . . . . ?
N10 Cu3 O10 C18 -29.3(6) 4 . . . ?
O11 Yb2 O11 C19 7.6(3) 2_655 . . . ?
O9 Yb2 O11 C19 164.9(3) 2_655 . . . ?
O9 Yb2 O11 C19 -132.9(3) . . . . ?
O7 Yb2 O11 C19 83.6(3) . . . . ?
O7 Yb2 O11 C19 -64.6(3) 2_655 . . . ?
N4 Yb2 O11 C19 7.6(3) . . . . ?
N3 Yb2 O11 C19 111.2(3) . . . . ?
N3 Yb2 O11 C19 -128.1(3) 2_655 . . . ?
Yb1 O1 C1 O2 -178.4(3) . . . . ?
Yb1 O1 C1 C2 3.3(5) . . . . ?
C6 N1 C2 C3 -0.2(6) . . . . ?
Yb1 N1 C2 C3 -174.5(3) . . . . ?
C6 N1 C2 C1 179.7(4) . . . . ?
Yb1 N1 C2 C1 5.4(5) . . . . ?
O2 C1 C2 N1 176.0(4) . . . . ?
O1 C1 C2 N1 -5.6(5) . . . . ?
O2 C1 C2 C3 -4.1(7) . . . . ?
O1 C1 C2 C3 174.3(4) . . . . ?
N1 C2 C3 C4 -0.3(7) . . . . ?
C1 C2 C3 C4 179.8(4) . . . . ?
C2 C3 C4 C5 -0.1(8) . . . . ?
C3 C4 C5 C6 0.9(8) . . . . ?
C2 N1 C6 C5 1.0(6) . . . . ?
Yb1 N1 C6 C5 175.3(3) . . . . ?
C2 N1 C6 C7 -179.5(4) . . . . ?
Yb1 N1 C6 C7 -5.2(5) . . . . ?
C4 C5 C6 N1 -1.4(7) . . . . ?
C4 C5 C6 C7 179.2(5) . . . . ?
Yb1 O3 C7 O4 -170.3(4) . . . . ?
Yb1 O3 C7 C6 11.0(5) . . . . ?
N1 C6 C7 O4 177.9(4) . . . . ?
C5 C6 C7 O4 -2.6(7) . . . . ?
N1 C6 C7 O3 -3.3(6) . . . . ?
C5 C6 C7 O3 176.1(4) . . . . ?
Cu1 O6 C8 O5 6.0(5) . . . . ?
Cu1 O6 C8 C9 -174.1(3) . . . . ?
Yb1 O5 C8 O6 -173.1(3) . . . . ?
Yb1 O5 C8 C9 7.0(5) . . . . ?
C9 N2 C9 C10 -1.0(4) 2_556 . . . ?
Yb1 N2 C9 C10 179.0(4) . . . . ?
C9 N2 C9 C8 177.6(4) 2_556 . . . ?
Yb1 N2 C9 C8 -2.4(4) . . . . ?
O6 C8 C9 N2 177.4(3) . . . . ?
O5 C8 C9 N2 -2.7(5) . . . . ?
O6 C8 C9 C10 -4.1(7) . . . . ?
O5 C8 C9 C10 175.8(4) . . . . ?
N2 C9 C10 C11 1.9(7) . . . . ?
C8 C9 C10 C11 -176.5(4) . . . . ?
C9 C10 C11 C10 -0.9(3) . . . 2_556 ?
Cu2 O8 C12 O7 4.4(10) . . . . ?
Cu2 O8 C12 C13 -175.0(4) . . . . ?
Yb2 O7 C12 O8 -177.4(4) . . . . ?
Yb2 O7 C12 C13 2.0(6) . . . . ?
C17 N3 C13 C14 1.0(7) . . . . ?
Yb2 N3 C13 C14 -162.0(4) . . . . ?
C17 N3 C13 C12 179.1(4) . . . . ?
Yb2 N3 C13 C12 16.2(5) . . . . ?
O8 C12 C13 N3 167.5(4) . . . . ?
O7 C12 C13 N3 -12.0(6) . . . . ?
O8 C12 C13 C14 -14.4(7) . . . . ?
O7 C12 C13 C14 166.1(5) . . . . ?
N3 C13 C14 C15 -1.0(8) . . . . ?
C12 C13 C14 C15 -178.9(5) . . . . ?
C13 C14 C15 C16 -0.1(8) . . . . ?
C14 C15 C16 C17 1.1(8) . . . . ?
C13 N3 C17 C16 0.1(7) . . . . ?
Yb2 N3 C17 C16 163.1(4) . . . . ?
C13 N3 C17 C18 -177.0(4) . . . . ?
Yb2 N3 C17 C18 -14.1(5) . . . . ?
C15 C16 C17 N3 -1.2(8) . . . . ?
C15 C16 C17 C18 175.7(5) . . . . ?
Cu3 O10 C18 O9 10.5(9) . . . . ?
Cu3 O10 C18 C17 -169.1(4) . . . . ?
Yb2 O9 C18 O10 -174.9(3) . . . . ?
Yb2 O9 C18 C17 4.7(5) . . . . ?
N3 C17 C18 O10 -173.8(4) . . . . ?
C16 C17 C18 O10 9.1(7) . . . . ?
N3 C17 C18 O9 6.6(6) . . . . ?
C16 C17 C18 O9 -170.5(4) . . . . ?
Yb2 O11 C19 O12 170.6(3) . . . . ?
Yb2 O11 C19 C20 -9.8(5) . . . . ?
C20 N4 C20 C21 0.2(4) 2_655 . . . ?
Yb2 N4 C20 C21 -179.8(4) . . . . ?
C20 N4 C20 C19 -179.2(4) 2_655 . . . ?
Yb2 N4 C20 C19 0.8(4) . . . . ?
O12 C19 C20 N4 -175.0(4) . . . . ?
O11 C19 C20 N4 5.4(6) . . . . ?
O12 C19 C20 C21 5.7(7) . . . . ?
O11 C19 C20 C21 -173.9(5) . . . . ?
N4 C20 C21 C22 -0.3(8) . . . . ?
C19 C20 C21 C22 178.9(4) . . . . ?
C20 C21 C22 C21 0.2(4) . . . 2_655 ?
C27 N5 C23 C24 0.9(7) . . . . ?
Cu1 N5 C23 C24 -172.2(4) . . . . ?
N5 C23 C24 C25 -0.1(8) . . . . ?
C23 C24 C25 C26 -0.5(7) . . . . ?
C23 C24 C25 C30 178.0(4) . . . . ?
C24 C25 C26 C27 0.3(6) . . . . ?
C30 C25 C26 C27 -178.3(4) . . . . ?
C23 N5 C27 C26 -1.1(7) . . . . ?
Cu1 N5 C27 C26 171.9(3) . . . . ?
C25 C26 C27 N5 0.6(7) . . . . ?
C32 N6 C28 C29 0.5(7) . . . . ?
Cu2 N6 C28 C29 -175.9(3) . . . . ?
N6 C28 C29 C30 0.0(7) . . . . ?
C28 C29 C30 C31 -0.1(7) . . . . ?
C28 C29 C30 C25 -179.4(4) . . . . ?
C26 C25 C30 C31 152.0(5) . . . . ?
C24 C25 C30 C31 -26.5(7) . . . . ?
C26 C25 C30 C29 -28.7(7) . . . . ?
C24 C25 C30 C29 152.8(4) . . . . ?
C29 C30 C31 C32 -0.4(7) . . . . ?
C25 C30 C31 C32 178.9(4) . . . . ?
C28 N6 C32 C31 -1.1(7) . . . . ?
Cu2 N6 C32 C31 175.3(4) . . . . ?
C30 C31 C32 N6 1.1(7) . . . . ?
C37 N7 C33 C34 -1.5(6) . . . . ?
Cu1 N7 C33 C34 170.3(3) . . . . ?
N7 C33 C34 C35 0.9(7) . . . . ?
C33 C34 C35 C36 0.4(6) . . . . ?
C33 C34 C35 C40 -177.2(4) . . . . ?
C34 C35 C36 C37 -1.0(6) . . . . ?
C40 C35 C36 C37 176.6(4) . . . . ?
C33 N7 C37 C36 0.8(7) . . . . ?
Cu1 N7 C37 C36 -171.3(3) . . . . ?
C35 C36 C37 N7 0.5(7) . . . . ?
C42 N8 C38 C39 -1.3(6) . . . . ?
Cu2 N8 C38 C39 178.1(3) 1_556 . . . ?
N8 C38 C39 C40 -0.4(7) . . . . ?
C38 C39 C40 C41 1.3(6) . . . . ?
C38 C39 C40 C35 -175.7(4) . . . . ?
C34 C35 C40 C39 -155.4(4) . . . . ?
C36 C35 C40 C39 27.1(6) . . . . ?
C34 C35 C40 C41 27.8(6) . . . . ?
C36 C35 C40 C41 -149.7(4) . . . . ?
C39 C40 C41 C42 -0.5(6) . . . . ?
C35 C40 C41 C42 176.5(4) . . . . ?
C38 N8 C42 C41 2.2(6) . . . . ?
Cu2 N8 C42 C41 -177.2(3) 1_556 . . . ?
C40 C41 C42 N8 -1.3(7) . . . . ?
C47 N9 C43 C44 2.5(6) . . . . ?
Cu3 N9 C43 C44 -170.6(3) . . . . ?
N9 C43 C44 C45 -1.1(7) . . . . ?
C43 C44 C45 C46 -0.5(6) . . . . ?
C43 C44 C45 C50 179.4(4) . . . . ?
C44 C45 C46 C47 0.6(6) . . . . ?
C50 C45 C46 C47 -179.3(4) . . . . ?
C43 N9 C47 C46 -2.4(6) . . . . ?
Cu3 N9 C47 C46 170.0(3) . . . . ?
C45 C46 C47 N9 1.0(7) . . . . ?
C52 N10 C48 C49 -0.5(7) . . . . ?
Cu3 N10 C48 C49 176.0(4) 4_556 . . . ?
N10 C48 C49 C50 -1.6(8) . . . . ?
C48 C49 C50 C51 2.7(7) . . . . ?
C48 C49 C50 C45 -177.8(4) . . . . ?
C44 C45 C50 C49 21.6(7) . . . . ?
C46 C45 C50 C49 -158.5(5) . . . . ?
C44 C45 C50 C51 -158.8(4) . . . . ?
C46 C45 C50 C51 21.0(7) . . . . ?
C49 C50 C51 C52 -1.9(7) . . . . ?
C45 C50 C51 C52 178.5(4) . . . . ?
C48 N10 C52 C51 1.3(7) . . . . ?
Cu3 N10 C52 C51 -175.2(4) 4_556 . . . ?
C50 C51 C52 N10 -0.1(7) . . . . ?
