# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_c2c
_database_code_depnum_ccdc_archive 'CCDC 1419619'
_audit_update_record             
;
2015-08-19 deposited with the CCDC.
2016-03-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H21 K N5 O10 Yb'
_chemical_formula_weight         739.59

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'
K K 0.2009 0.2494 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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'

_cell_length_a                   19.9224(8)
_cell_length_b                   14.1721(6)
_cell_length_c                   10.3924(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.833(2)
_cell_angle_gamma                90.00
_cell_volume                     2723.75(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4186
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      29.97

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1452
_exptl_absorpt_coefficient_mu    3.649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8656
_exptl_absorpt_correction_T_max  0.8990
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7126
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         1.81
_diffrn_reflns_theta_max         25.50
_reflns_number_total             2540
_reflns_number_gt                2395
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0345P)²+0.6790P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2540
_refine_ls_number_parameters     184
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0202
_refine_ls_wR_factor_ref         0.0540
_refine_ls_wR_factor_gt          0.0525
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.219973(11) 0.2500 0.03332(8) Uani 1 2 d S . .
K1 K 0.0000 -0.04777(7) 0.2500 0.0546(3) Uani 1 2 d S . .
C1 C 0.1684(2) -0.1398(3) 0.4865(5) 0.0732(12) Uani 1 1 d . . .
H1A H 0.1935 -0.1674 0.4328 0.110 Uiso 1 1 calc R . .
H1B H 0.1299 -0.1809 0.4854 0.110 Uiso 1 1 calc R . .
H1C H 0.2015 -0.1311 0.5803 0.110 Uiso 1 1 calc R . .
C2 C 0.15318(15) 0.10252(19) 0.3586(3) 0.0339(6) Uani 1 1 d . . .
C3 C 0.18626(15) 0.0162(2) 0.4209(3) 0.0373(6) Uani 1 1 d . . .
C4 C 0.26041(16) 0.0058(2) 0.4693(3) 0.0456(7) Uani 1 1 d . . .
H4 H 0.2812 -0.0504 0.5116 0.055 Uiso 1 1 calc R . .
C5 C 0.30447(16) 0.0782(2) 0.4557(4) 0.0472(8) Uani 1 1 d . . .
H5 H 0.3544 0.0702 0.4884 0.057 Uiso 1 1 calc R . .
C6 C 0.27429(15) 0.1607(2) 0.3944(3) 0.0424(7) Uani 1 1 d . . .
H6 H 0.3038 0.2089 0.3851 0.051 Uiso 1 1 calc R . .
C7 C 0.19869(15) 0.1741(2) 0.3447(3) 0.0361(6) Uani 1 1 d . . .
C8 C 0.17231(17) 0.2636(2) 0.2798(3) 0.0384(7) Uani 1 1 d . . .
H8 H 0.2072 0.3058 0.2757 0.046 Uiso 1 1 calc R . .
C9 C 0.09615(17) 0.3853(2) 0.1630(4) 0.0452(7) Uani 1 1 d . . .
H9A H 0.0756 0.3785 0.0630 0.054 Uiso 1 1 calc R . .
H9B H 0.1425 0.4167 0.1878 0.054 Uiso 1 1 calc R . .
C10 C 0.04670(16) 0.4444(2) 0.2092(3) 0.0392(7) Uani 1 1 d . . .
C11 C 0.04798(19) 0.5410(2) 0.2082(4) 0.0505(8) Uani 1 1 d . . .
H11 H 0.0809 0.5728 0.1797 0.061 Uiso 1 1 calc R . .
C12 C 0.0000 0.5908(3) 0.2500 0.0551(13) Uani 1 2 d S . .
H12 H 0.0000 0.6564 0.2500 0.066 Uiso 1 2 calc SR . .
N1 N 0.10681(14) 0.29207(15) 0.2272(3) 0.0362(6) Uani 1 1 d . . .
N2 N 0.0000 0.3963(2) 0.2500 0.0362(8) Uani 1 2 d S . .
N3 N 0.04167(15) 0.21003(18) 0.5526(3) 0.0448(7) Uani 1 1 d . . .
O1 O 0.13955(11) -0.05163(15) 0.4290(3) 0.0505(6) Uani 1 1 d . . .
O2 O 0.08267(10) 0.11059(14) 0.3149(2) 0.0408(5) Uani 1 1 d . . .
O3 O 0.0691(2) 0.20964(18) 0.6788(3) 0.0727(9) Uani 1 1 d . . .
O4 O 0.05670(14) 0.27491(14) 0.4829(3) 0.0474(6) Uani 1 1 d . . .
O5 O -0.00160(12) 0.14803(17) 0.4845(3) 0.0565(6) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 O2 2.1782(19) . ?
Yb1 O2 2.1782(19) 2 ?
Yb1 O4 2.389(2) 2 ?
Yb1 O4 2.389(2) . ?
Yb1 N1 2.450(2) . ?
Yb1 N1 2.450(2) 2 ?
Yb1 N2 2.499(3) . ?
Yb1 O5 2.653(2) 2 ?
Yb1 O5 2.653(2) . ?
Yb1 N3 2.943(3) 2 ?
K1 O1 2.710(2) 2 ?
K1 O1 2.710(2) . ?
K1 O2 2.716(2) . ?
K1 O2 2.716(2) 2 ?
K1 O3 2.909(3) 5_556 ?
K1 O3 2.909(3) 6 ?
K1 O5 3.093(2) 6 ?
K1 O5 3.093(2) 5_556 ?
K1 N3 3.384(3) 6 ?
K1 N3 3.384(3) 5_556 ?
C1 O1 1.412(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 O2 1.311(3) . ?
C2 C7 1.404(4) . ?
C2 C3 1.426(4) . ?
C3 O1 1.362(4) . ?
C3 C4 1.380(4) . ?
C4 C5 1.391(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.360(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.411(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.440(5) . ?
C8 N1 1.278(4) . ?
C8 H8 0.9300 . ?
C9 N1 1.459(4) . ?
C9 C10 1.501(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 N2 1.343(3) . ?
C10 C11 1.370(4) . ?
C11 C12 1.382(4) . ?
C11 H11 0.9300 . ?
C12 C11 1.382(4) 2 ?
C12 H12 0.9300 . ?
N2 C10 1.343(3) 2 ?
N3 O3 1.219(4) . ?
N3 O5 1.250(3) . ?
N3 O4 1.273(3) . ?
N3 K1 3.384(3) 5_556 ?
O3 K1 2.909(3) 5_556 ?
O5 K1 3.093(2) 5_556 ?

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
O2 Yb1 O2 89.25(10) . 2 ?
O2 Yb1 O4 124.31(8) . 2 ?
O2 Yb1 O4 84.27(8) 2 2 ?
O2 Yb1 O4 84.27(8) . . ?
O2 Yb1 O4 124.31(8) 2 . ?
O4 Yb1 O4 141.96(10) 2 . ?
O2 Yb1 N1 75.09(7) . . ?
O2 Yb1 N1 148.30(8) 2 . ?
O4 Yb1 N1 82.33(9) 2 . ?
O4 Yb1 N1 82.05(9) . . ?
O2 Yb1 N1 148.30(8) . 2 ?
O2 Yb1 N1 75.09(7) 2 2 ?
O4 Yb1 N1 82.04(9) 2 2 ?
O4 Yb1 N1 82.33(9) . 2 ?
N1 Yb1 N1 130.71(11) . 2 ?
O2 Yb1 N2 135.37(5) . . ?
O2 Yb1 N2 135.37(5) 2 . ?
O4 Yb1 N2 70.98(5) 2 . ?
O4 Yb1 N2 70.98(5) . . ?
N1 Yb1 N2 65.35(5) . . ?
N1 Yb1 N2 65.35(5) 2 . ?
O2 Yb1 O5 75.21(8) . 2 ?
O2 Yb1 O5 73.04(8) 2 2 ?
O4 Yb1 O5 50.00(7) 2 2 ?
O4 Yb1 O5 153.29(8) . 2 ?
N1 Yb1 O5 76.34(8) . 2 ?
N1 Yb1 O5 123.83(8) 2 2 ?
N2 Yb1 O5 112.60(5) . 2 ?
O2 Yb1 O5 73.04(8) . . ?
O2 Yb1 O5 75.21(8) 2 . ?
O4 Yb1 O5 153.29(8) 2 . ?
O4 Yb1 O5 50.00(7) . . ?
N1 Yb1 O5 123.83(8) . . ?
N1 Yb1 O5 76.34(8) 2 . ?
N2 Yb1 O5 112.60(5) . . ?
O5 Yb1 O5 134.80(11) 2 . ?
O2 Yb1 N3 100.19(8) . 2 ?
O2 Yb1 N3 75.81(8) 2 2 ?
O4 Yb1 N3 24.98(7) 2 2 ?
O4 Yb1 N3 159.66(8) . 2 ?
N1 Yb1 N3 80.01(8) . 2 ?
N1 Yb1 N3 102.32(8) 2 2 ?
N2 Yb1 N3 92.74(5) . 2 ?
O5 Yb1 N3 25.14(7) 2 2 ?
O5 Yb1 N3 150.28(8) . 2 ?
O1 K1 O1 177.69(10) 2 . ?
O1 K1 O2 124.02(7) 2 . ?
O1 K1 O2 58.25(6) . . ?
O1 K1 O2 58.25(6) 2 2 ?
O1 K1 O2 124.02(7) . 2 ?
O2 K1 O2 68.57(8) . 2 ?
O1 K1 O3 72.36(8) 2 5_556 ?
O1 K1 O3 105.74(8) . 5_556 ?
O2 K1 O3 152.76(7) . 5_556 ?
O2 K1 O3 114.46(8) 2 5_556 ?
O1 K1 O3 105.74(8) 2 6 ?
O1 K1 O3 72.36(8) . 6 ?
O2 K1 O3 114.46(8) . 6 ?
O2 K1 O3 152.76(7) 2 6 ?
O3 K1 O3 75.90(14) 5_556 6 ?
O1 K1 O5 73.19(6) 2 6 ?
O1 K1 O5 105.70(7) . 6 ?
O2 K1 O5 113.90(7) . 6 ?
O2 K1 O5 110.74(6) 2 6 ?
O3 K1 O5 90.90(8) 5_556 6 ?
O3 K1 O5 42.25(7) 6 6 ?
O1 K1 O5 105.70(7) 2 5_556 ?
O1 K1 O5 73.19(6) . 5_556 ?
O2 K1 O5 110.74(6) . 5_556 ?
O2 K1 O5 113.90(7) 2 5_556 ?
O3 K1 O5 42.25(7) 5_556 5_556 ?
O3 K1 O5 90.90(8) 6 5_556 ?
O5 K1 O5 125.30(10) 6 5_556 ?
O1 K1 N3 89.46(7) 2 6 ?
O1 K1 N3 88.97(7) . 6 ?
O2 K1 N3 116.69(6) . 6 ?
O2 K1 N3 132.37(7) 2 6 ?
O3 K1 N3 82.20(8) 5_556 6 ?
O3 K1 N3 20.61(7) 6 6 ?
O5 K1 N3 21.66(6) 6 6 ?
O5 K1 N3 107.76(7) 5_556 6 ?
O1 K1 N3 88.97(7) 2 5_556 ?
O1 K1 N3 89.46(7) . 5_556 ?
O2 K1 N3 132.37(7) . 5_556 ?
O2 K1 N3 116.69(6) 2 5_556 ?
O3 K1 N3 20.61(7) 5_556 5_556 ?
O3 K1 N3 82.20(8) 6 5_556 ?
O5 K1 N3 107.76(7) 6 5_556 ?
O5 K1 N3 21.66(6) 5_556 5_556 ?
N3 K1 N3 94.38(10) 6 5_556 ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O2 C2 C7 123.5(3) . . ?
O2 C2 C3 119.1(3) . . ?
C7 C2 C3 117.4(2) . . ?
O1 C3 C4 124.5(3) . . ?
O1 C3 C2 115.0(2) . . ?
C4 C3 C2 120.5(3) . . ?
C3 C4 C5 121.0(3) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
C6 C5 C4 119.7(3) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C5 C6 C7 120.8(3) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C2 C7 C6 120.5(3) . . ?
C2 C7 C8 123.2(2) . . ?
C6 C7 C8 116.3(3) . . ?
N1 C8 C7 127.9(3) . . ?
N1 C8 H8 116.0 . . ?
C7 C8 H8 116.0 . . ?
N1 C9 C10 111.1(2) . . ?
N1 C9 H9A 109.4 . . ?
C10 C9 H9A 109.4 . . ?
N1 C9 H9B 109.4 . . ?
C10 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
N2 C10 C11 121.8(3) . . ?
N2 C10 C9 115.6(3) . . ?
C11 C10 C9 122.6(3) . . ?
C10 C11 C12 119.5(3) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C11 C12 C11 118.6(4) . 2 ?
C11 C12 H12 120.7 . . ?
C11 C12 H12 120.7 2 . ?
C8 N1 C9 115.7(3) . . ?
C8 N1 Yb1 127.7(2) . . ?
C9 N1 Yb1 115.96(19) . . ?
C10 N2 C10 119.0(4) 2 . ?
C10 N2 Yb1 120.49(18) 2 . ?
C10 N2 Yb1 120.49(18) . . ?
O3 N3 O5 123.0(3) . . ?
O3 N3 O4 120.6(3) . . ?
O5 N3 O4 116.4(3) . . ?
O3 N3 K1 57.16(18) . 5_556 ?
O5 N3 K1 65.96(16) . 5_556 ?
O4 N3 K1 176.6(2) . 5_556 ?
C3 O1 C1 118.1(2) . . ?
C3 O1 K1 119.57(17) . . ?
C1 O1 K1 117.4(2) . . ?
C2 O2 Yb1 139.37(18) . . ?
C2 O2 K1 119.12(17) . . ?
Yb1 O2 K1 101.09(7) . . ?
N3 O3 K1 102.2(2) . 5_556 ?
N3 O4 Yb1 102.63(18) . . ?
N3 O5 Yb1 90.50(18) . . ?
N3 O5 K1 92.39(18) . 5_556 ?
Yb1 O5 K1 175.11(10) . 5_556 ?

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
O2 C2 C3 O1 0.0(4) . . . . ?
C7 C2 C3 O1 -178.6(3) . . . . ?
O2 C2 C3 C4 -179.3(3) . . . . ?
C7 C2 C3 C4 2.1(4) . . . . ?
O1 C3 C4 C5 179.2(3) . . . . ?
C2 C3 C4 C5 -1.4(5) . . . . ?
C3 C4 C5 C6 0.3(5) . . . . ?
C4 C5 C6 C7 0.2(5) . . . . ?
O2 C2 C7 C6 179.9(3) . . . . ?
C3 C2 C7 C6 -1.6(4) . . . . ?
O2 C2 C7 C8 -0.5(5) . . . . ?
C3 C2 C7 C8 178.0(3) . . . . ?
C5 C6 C7 C2 0.5(5) . . . . ?
C5 C6 C7 C8 -179.1(3) . . . . ?
C2 C7 C8 N1 0.4(5) . . . . ?
C6 C7 C8 N1 180.0(3) . . . . ?
N1 C9 C10 N2 -25.5(4) . . . . ?
N1 C9 C10 C11 155.4(3) . . . . ?
N2 C10 C11 C12 -0.1(5) . . . . ?
C9 C10 C11 C12 178.9(3) . . . . ?
C10 C11 C12 C11 0.1(2) . . . 2 ?
C7 C8 N1 C9 -177.5(3) . . . . ?
C7 C8 N1 Yb1 12.0(5) . . . . ?
C10 C9 N1 C8 -132.7(3) . . . . ?
C10 C9 N1 Yb1 38.9(3) . . . . ?
O2 Yb1 N1 C8 -16.2(3) . . . . ?
O2 Yb1 N1 C8 -79.0(3) 2 . . . ?
O4 Yb1 N1 C8 -144.8(3) 2 . . . ?
O4 Yb1 N1 C8 69.9(3) . . . . ?
N1 Yb1 N1 C8 142.6(3) 2 . . . ?
N2 Yb1 N1 C8 142.6(3) . . . . ?
O5 Yb1 N1 C8 -94.2(3) 2 . . . ?
O5 Yb1 N1 C8 41.0(3) . . . . ?
N3 Yb1 N1 C8 -119.7(3) 2 . . . ?
O2 Yb1 N1 C9 173.3(2) . . . . ?
O2 Yb1 N1 C9 110.5(2) 2 . . . ?
O4 Yb1 N1 C9 44.7(2) 2 . . . ?
O4 Yb1 N1 C9 -100.5(2) . . . . ?
N1 Yb1 N1 C9 -27.83(19) 2 . . . ?
N2 Yb1 N1 C9 -27.83(19) . . . . ?
O5 Yb1 N1 C9 95.3(2) 2 . . . ?
O5 Yb1 N1 C9 -129.5(2) . . . . ?
N3 Yb1 N1 C9 69.9(2) 2 . . . ?
C11 C10 N2 C10 0.1(2) . . . 2 ?
C9 C10 N2 C10 -179.1(3) . . . 2 ?
C11 C10 N2 Yb1 -179.9(2) . . . . ?
C9 C10 N2 Yb1 1.0(3) . . . . ?
O2 Yb1 N2 C10 -135.96(18) . . . 2 ?
O2 Yb1 N2 C10 44.04(18) 2 . . 2 ?
O4 Yb1 N2 C10 104.07(16) 2 . . 2 ?
O4 Yb1 N2 C10 -75.93(16) . . . 2 ?
N1 Yb1 N2 C10 -165.77(16) . . . 2 ?
N1 Yb1 N2 C10 14.23(16) 2 . . 2 ?
O5 Yb1 N2 C10 132.43(16) 2 . . 2 ?
O5 Yb1 N2 C10 -47.57(16) . . . 2 ?
N3 Yb1 N2 C10 116.53(16) 2 . . 2 ?
O2 Yb1 N2 C10 44.04(18) . . . . ?
O2 Yb1 N2 C10 -135.96(18) 2 . . . ?
O4 Yb1 N2 C10 -75.93(16) 2 . . . ?
O4 Yb1 N2 C10 104.07(16) . . . . ?
N1 Yb1 N2 C10 14.23(16) . . . . ?
N1 Yb1 N2 C10 -165.77(16) 2 . . . ?
O5 Yb1 N2 C10 -47.58(16) 2 . . . ?
O5 Yb1 N2 C10 132.42(16) . . . . ?
N3 Yb1 N2 C10 -63.47(16) 2 . . . ?
C4 C3 O1 C1 -2.2(5) . . . . ?
C2 C3 O1 C1 178.4(3) . . . . ?
C4 C3 O1 K1 -156.7(2) . . . . ?
C2 C3 O1 K1 23.9(3) . . . . ?
O1 K1 O1 C3 145.4(2) 2 . . . ?
O2 K1 O1 C3 -24.45(19) . . . . ?
O2 K1 O1 C3 -45.0(2) 2 . . . ?
O3 K1 O1 C3 179.8(2) 5_556 . . . ?
O3 K1 O1 C3 110.6(2) 6 . . . ?
O5 K1 O1 C3 84.3(2) 6 . . . ?
O5 K1 O1 C3 -152.9(2) 5_556 . . . ?
N3 K1 O1 C3 98.2(2) 6 . . . ?
N3 K1 O1 C3 -167.4(2) 5_556 . . . ?
O1 K1 O1 C1 -9.3(3) 2 . . . ?
O2 K1 O1 C1 -179.1(3) . . . . ?
O2 K1 O1 C1 160.3(3) 2 . . . ?
O3 K1 O1 C1 25.1(3) 5_556 . . . ?
O3 K1 O1 C1 -44.1(3) 6 . . . ?
O5 K1 O1 C1 -70.4(3) 6 . . . ?
O5 K1 O1 C1 52.4(3) 5_556 . . . ?
N3 K1 O1 C1 -56.5(3) 6 . . . ?
N3 K1 O1 C1 37.9(3) 5_556 . . . ?
C7 C2 O2 Yb1 -16.2(5) . . . . ?
C3 C2 O2 Yb1 165.3(2) . . . . ?
C7 C2 O2 K1 154.7(2) . . . . ?
C3 C2 O2 K1 -23.8(4) . . . . ?
O2 Yb1 O2 C2 171.9(4) 2 . . . ?
O4 Yb1 O2 C2 89.3(3) 2 . . . ?
O4 Yb1 O2 C2 -63.5(3) . . . . ?
N1 Yb1 O2 C2 19.7(3) . . . . ?
N1 Yb1 O2 C2 -128.8(3) 2 . . . ?
N2 Yb1 O2 C2 -8.1(4) . . . . ?
O5 Yb1 O2 C2 99.2(3) 2 . . . ?
O5 Yb1 O2 C2 -113.4(3) . . . . ?
N3 Yb1 O2 C2 96.4(3) 2 . . . ?
O2 Yb1 O2 K1 0.0 2 . . . ?
O4 Yb1 O2 K1 -82.54(10) 2 . . . ?
O4 Yb1 O2 K1 124.60(8) . . . . ?
N1 Yb1 O2 K1 -152.13(10) . . . . ?
N1 Yb1 O2 K1 59.29(17) 2 . . . ?
N2 Yb1 O2 K1 180.0 . . . . ?
O5 Yb1 O2 K1 -72.64(8) 2 . . . ?
O5 Yb1 O2 K1 74.76(8) . . . . ?
N3 Yb1 O2 K1 -75.44(8) 2 . . . ?
O1 K1 O2 C2 -155.2(2) 2 . . . ?
O1 K1 O2 C2 24.3(2) . . . . ?
O2 K1 O2 C2 -174.0(3) 2 . . . ?
O3 K1 O2 C2 84.0(3) 5_556 . . . ?
O3 K1 O2 C2 -23.4(2) 6 . . . ?
O5 K1 O2 C2 -69.9(2) 6 . . . ?
O5 K1 O2 C2 77.6(2) 5_556 . . . ?
N3 K1 O2 C2 -46.2(2) 6 . . . ?
N3 K1 O2 C2 78.9(2) 5_556 . . . ?
O1 K1 O2 Yb1 18.74(12) 2 . . . ?
O1 K1 O2 Yb1 -161.75(12) . . . . ?
O2 K1 O2 Yb1 0.0 2 . . . ?
O3 K1 O2 Yb1 -102.08(18) 5_556 . . . ?
O3 K1 O2 Yb1 150.54(8) 6 . . . ?
O5 K1 O2 Yb1 104.01(8) 6 . . . ?
O5 K1 O2 Yb1 -108.47(8) 5_556 . . . ?
N3 K1 O2 Yb1 127.80(8) 6 . . . ?
N3 K1 O2 Yb1 -107.16(9) 5_556 . . . ?
O5 N3 O3 K1 -3.6(4) . . . 5_556 ?
O4 N3 O3 K1 176.9(2) . . . 5_556 ?
O3 N3 O4 Yb1 171.8(3) . . . . ?
O5 N3 O4 Yb1 -7.7(3) . . . . ?
K1 N3 O4 Yb1 -140(4) 5_556 . . . ?
O2 Yb1 O4 N3 -68.40(19) . . . . ?
O2 Yb1 O4 N3 16.8(2) 2 . . . ?
O4 Yb1 O4 N3 149.3(2) 2 . . . ?
N1 Yb1 O4 N3 -144.1(2) . . . . ?
N1 Yb1 O4 N3 82.80(19) 2 . . . ?
N2 Yb1 O4 N3 149.3(2) . . . . ?
O5 Yb1 O4 N3 -108.0(2) 2 . . . ?
O5 Yb1 O4 N3 4.22(16) . . . . ?
N3 Yb1 O4 N3 -172.36(15) 2 . . . ?
O3 N3 O5 Yb1 -172.7(3) . . . . ?
O4 N3 O5 Yb1 6.7(3) . . . . ?
K1 N3 O5 Yb1 -176.05(10) 5_556 . . . ?
O3 N3 O5 K1 3.3(3) . . . 5_556 ?
O4 N3 O5 K1 -177.2(2) . . . 5_556 ?
O2 Yb1 O5 N3 92.68(18) . . . . ?
O2 Yb1 O5 N3 -173.51(18) 2 . . . ?
O4 Yb1 O5 N3 -132.49(19) 2 . . . ?
O4 Yb1 O5 N3 -4.20(16) . . . . ?
N1 Yb1 O5 N3 34.6(2) . . . . ?
N1 Yb1 O5 N3 -95.61(18) 2 . . . ?
N2 Yb1 O5 N3 -40.09(18) . . . . ?
O5 Yb1 O5 N3 139.91(18) 2 . . . ?
N3 Yb1 O5 N3 173.40(12) 2 . . . ?
O2 Yb1 O5 K1 -33.5(10) . . . 5_556 ?
O2 Yb1 O5 K1 60.4(11) 2 . . 5_556 ?
O4 Yb1 O5 K1 101.4(11) 2 . . 5_556 ?
O4 Yb1 O5 K1 -130.3(11) . . . 5_556 ?
N1 Yb1 O5 K1 -91.6(11) . . . 5_556 ?
N1 Yb1 O5 K1 138.3(11) 2 . . 5_556 ?
N2 Yb1 O5 K1 -166.2(10) . . . 5_556 ?
O5 Yb1 O5 K1 13.8(10) 2 . . 5_556 ?
N3 Yb1 O5 K1 47.3(11) 2 . . 5_556 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.311
_refine_diff_density_min         -0.640
_refine_diff_density_rms         0.101
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p21c
_database_code_depnum_ccdc_archive 'CCDC 1419620'
_audit_update_record             
;
2015-08-19 deposited with the CCDC.
2016-03-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H29 Li N5 O12 Yb'
_chemical_formula_weight         771.51

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'
Li Li -0.0003 0.0001 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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'

_cell_length_a                   10.5784(6)
_cell_length_b                   17.3413(10)
_cell_length_c                   16.6413(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.996(3)
_cell_angle_gamma                90.00
_cell_volume                     2948.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4670
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      24.83

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1532
_exptl_absorpt_coefficient_mu    3.241
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15172
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.73
_diffrn_reflns_theta_max         25.49
_reflns_number_total             5475
_reflns_number_gt                4231
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0320P)²+1.2170P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5475
_refine_ls_number_parameters     434
_refine_ls_number_restraints     224
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0297
_refine_ls_wR_factor_ref         0.0710
_refine_ls_wR_factor_gt          0.0638
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.436531(18) 0.286071(10) 0.893631(11) 0.03172(8) Uani 1 1 d . . .
Li1 Li 0.2271(8) 0.1387(4) 0.8811(5) 0.0452(19) Uani 1 1 d . . .
C1 C 0.0314(5) 0.0919(3) 0.9917(4) 0.0655(16) Uani 1 1 d . . .
H1A H 0.0461 0.0946 1.0510 0.098 Uiso 1 1 calc R A .
H1B H 0.0576 0.0422 0.9764 0.098 Uiso 1 1 calc R . .
H1C H -0.0598 0.0998 0.9657 0.098 Uiso 1 1 calc R . .
C2 C 0.1640(4) 0.2784(2) 0.9541(3) 0.0348(10) Uani 1 1 d . . .
C3 C 0.0808(5) 0.2259(3) 0.9803(3) 0.0400(11) Uani 1 1 d . A .
C4 C -0.0127(5) 0.2499(3) 1.0186(3) 0.0571(14) Uani 1 1 d . . .
H4 H -0.0666 0.2142 1.0352 0.069 Uiso 1 1 calc R A .
C5 C -0.0260(5) 0.3292(3) 1.0325(4) 0.0651(16) Uani 1 1 d . A .
H5 H -0.0882 0.3462 1.0590 0.078 Uiso 1 1 calc R . .
C6 C 0.0525(5) 0.3815(3) 1.0070(3) 0.0563(14) Uani 1 1 d . . .
H6 H 0.0423 0.4338 1.0161 0.068 Uiso 1 1 calc R A .
C7 C 0.1480(4) 0.3578(3) 0.9676(3) 0.0383(10) Uani 1 1 d . A .
C8 C 0.2252(5) 0.4168(3) 0.9399(3) 0.0420(11) Uani 1 1 d . . .
H8 H 0.2026 0.4677 0.9470 0.050 Uiso 1 1 calc R A .
C9 C 0.3694(5) 0.4793(3) 0.8806(3) 0.0565(14) Uani 1 1 d . . .
H9A H 0.3735 0.5181 0.9232 0.068 Uiso 1 1 calc R A .
H9B H 0.3083 0.4973 0.8301 0.068 Uiso 1 1 calc R . .
C10 C 0.5025(5) 0.4712(2) 0.8651(3) 0.0405(11) Uani 1 1 d . A .
C11 C 0.5729(5) 0.5360(3) 0.8541(3) 0.0507(13) Uani 1 1 d . . .
H11 H 0.5396 0.5849 0.8591 0.061 Uiso 1 1 calc R A .
C12 C 0.6931(5) 0.5282(3) 0.8355(3) 0.0541(14) Uani 1 1 d . A .
H12 H 0.7412 0.5713 0.8282 0.065 Uiso 1 1 calc R . .
C13 C 0.7392(5) 0.4549(3) 0.8281(3) 0.0530(13) Uani 1 1 d . . .
H13 H 0.8195 0.4478 0.8161 0.064 Uiso 1 1 calc R A .
C14 C 0.6651(5) 0.3922(2) 0.8388(3) 0.0387(11) Uani 1 1 d . A .
C15 C 0.7127(5) 0.3126(3) 0.8273(4) 0.0567(14) Uani 1 1 d . . .
H15A H 0.7192 0.3074 0.7705 0.068 Uiso 1 1 calc R A .
H15B H 0.7999 0.3063 0.8638 0.068 Uiso 1 1 calc R . .
C16 C 0.6688(4) 0.1824(3) 0.8352(3) 0.0390(11) Uani 1 1 d . . .
H16 H 0.7447 0.1799 0.8170 0.047 Uiso 1 1 calc R A .
C17 C 0.6124(4) 0.1090(2) 0.8493(3) 0.0360(10) Uani 1 1 d . A .
C18 C 0.6881(5) 0.0422(3) 0.8463(3) 0.0495(13) Uani 1 1 d . . .
H18 H 0.7683 0.0467 0.8335 0.059 Uiso 1 1 calc R A .
C19 C 0.6435(5) -0.0292(3) 0.8624(3) 0.0573(14) Uani 1 1 d . A .
H19 H 0.6941 -0.0727 0.8605 0.069 Uiso 1 1 calc R . .
C20 C 0.5229(5) -0.0369(3) 0.8814(3) 0.0511(13) Uani 1 1 d . . .
H20 H 0.4946 -0.0852 0.8938 0.061 Uiso 1 1 calc R A .
C21 C 0.4457(4) 0.0276(2) 0.8817(3) 0.0370(11) Uani 1 1 d . A .
C22 C 0.4883(4) 0.1023(2) 0.8652(3) 0.0338(10) Uani 1 1 d . . .
C23 C 0.2766(5) -0.0459(3) 0.9170(3) 0.0591(14) Uani 1 1 d . . .
H23A H 0.2746 -0.0810 0.8721 0.089 Uiso 1 1 calc R A .
H23B H 0.1898 -0.0400 0.9240 0.089 Uiso 1 1 calc R . .
H23C H 0.3333 -0.0658 0.9673 0.089 Uiso 1 1 calc R . .
C24 C 0.3260(6) 0.2530(3) 0.6857(3) 0.0627(15) Uani 1 1 d . . .
H24A H 0.3383 0.2847 0.6411 0.094 Uiso 1 1 calc R A .
H24B H 0.2450 0.2252 0.6676 0.094 Uiso 1 1 calc R . .
H24C H 0.3971 0.2170 0.7017 0.094 Uiso 1 1 calc R . .
C25 C -0.0018(6) 0.3239(4) 0.7337(4) 0.0745(17) Uani 1 1 d . . .
H25A H -0.0128 0.3393 0.7869 0.112 Uiso 1 1 calc R . .
H25B H 0.0287 0.2716 0.7368 0.112 Uiso 1 1 calc R . .
H25C H -0.0841 0.3277 0.6926 0.112 Uiso 1 1 calc R . .
N1 N 0.3193(4) 0.40676(19) 0.9071(2) 0.0373(9) Uani 1 1 d . A .
N2 N 0.5496(4) 0.39955(19) 0.8586(2) 0.0356(9) Uani 1 1 d . A .
N3 N 0.6271(4) 0.2499(2) 0.8449(2) 0.0385(9) Uani 1 1 d . A .
N5 N 0.0174(4) 0.0641(3) 0.7537(3) 0.0602(12) Uani 1 1 d . . .
O1 O 0.1059(3) 0.14996(18) 0.9650(2) 0.0551(9) Uani 1 1 d . A .
O2 O 0.2504(3) 0.25129(17) 0.9182(2) 0.0467(8) Uani 1 1 d . A .
O3 O 0.4095(3) 0.16090(15) 0.86512(19) 0.0394(7) Uani 1 1 d . A .
O4 O 0.3241(3) 0.02716(16) 0.8985(2) 0.0454(8) Uani 1 1 d . A .
N4 N 0.5998(5) 0.2785(3) 1.0635(3) 0.0552(11) Uani 0.43(2) 1 d PDU A 1
O5' O 0.5289(19) 0.2233(8) 1.0267(8) 0.070(3) Uani 0.43(2) 1 d PDU A 1
O6 O 0.5321(18) 0.3350(8) 1.0305(9) 0.069(3) Uani 0.43(2) 1 d PDU A 1
O7 O 0.6848(18) 0.2657(12) 1.1302(10) 0.076(5) Uani 0.43(2) 1 d PDU A 1
N4' N 0.5998(5) 0.2785(3) 1.0635(3) 0.0552(11) Uani 0.57(2) 1 d PDU A 2
O5 O 0.5881(17) 0.2208(6) 1.0166(7) 0.081(3) Uani 0.57(2) 1 d PDU A 2
O6' O 0.5873(15) 0.3383(6) 1.0199(6) 0.065(3) Uani 0.57(2) 1 d PDU A 2
O7' O 0.6519(16) 0.2830(9) 1.1382(7) 0.077(4) Uani 0.57(2) 1 d PDU A 2
O8 O 0.0956(4) 0.1197(2) 0.7683(2) 0.0735(11) Uani 1 1 d . A .
O9 O 0.0014(5) 0.0243(3) 0.8106(3) 0.1010(15) Uani 1 1 d . A .
O10 O -0.0336(6) 0.0388(3) 0.6848(3) 0.134(2) Uani 1 1 d . A .
O11 O 0.3222(3) 0.30009(17) 0.75460(19) 0.0408(7) Uani 1 1 d D A .
O12 O 0.0909(4) 0.3728(2) 0.7113(3) 0.0654(10) Uani 1 1 d . . .
H12A H 0.0790 0.4174 0.7239 0.098 Uiso 1 1 calc R . .
H10 H 0.251(3) 0.324(3) 0.744(3) 0.056(17) Uiso 1 1 d D . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 O2 2.197(3) . ?
Yb1 O3 2.224(3) . ?
Yb1 O11 2.329(3) . ?
Yb1 O6 2.395(14) . ?
Yb1 O5' 2.434(13) . ?
Yb1 N3 2.441(4) . ?
Yb1 N2 2.450(3) . ?
Yb1 O6' 2.459(10) . ?
Yb1 N1 2.472(3) . ?
Yb1 O5 2.518(10) . ?
Li1 O2 2.043(8) . ?
Li1 O3 2.051(8) . ?
Li1 O8 2.054(9) . ?
Li1 O1 2.135(8) . ?
Li1 O4 2.174(8) . ?
C1 O1 1.418(5) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 O2 1.303(5) . ?
C2 C3 1.411(6) . ?
C2 C7 1.412(6) . ?
C3 C4 1.373(7) . ?
C3 O1 1.380(5) . ?
C4 C5 1.408(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.368(7) . ?
C5 H5 0.9300 . ?
C6 C7 1.401(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.457(6) . ?
C8 N1 1.265(5) . ?
C8 H8 0.9300 . ?
C9 N1 1.476(5) . ?
C9 C10 1.503(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 N2 1.353(5) . ?
C10 C11 1.387(6) . ?
C11 C12 1.391(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.378(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.379(6) . ?
C13 H13 0.9300 . ?
C14 N2 1.351(5) . ?
C14 C15 1.497(6) . ?
C15 N3 1.492(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 N3 1.276(6) . ?
C16 C17 1.450(6) . ?
C16 H16 0.9300 . ?
C17 C22 1.410(6) . ?
C17 C18 1.415(6) . ?
C18 C19 1.375(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.398(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.387(6) . ?
C20 H20 0.9300 . ?
C21 O4 1.385(5) . ?
C21 C22 1.421(6) . ?
C22 O3 1.314(5) . ?
C23 O4 1.426(5) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 O11 1.417(6) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 O12 1.418(6) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
N5 O10 1.216(6) . ?
N5 O9 1.218(5) . ?
N5 O8 1.252(5) . ?
N4 O6 1.253(11) . ?
N4 O7 1.254(14) . ?
N4 O5' 1.272(11) . ?
O11 H10 0.837(19) . ?
O12 H12A 0.8200 . ?

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
O2 Yb1 O3 72.52(10) . . ?
O2 Yb1 O11 87.34(12) . . ?
O3 Yb1 O11 83.39(11) . . ?
O2 Yb1 O6 95.6(5) . . ?
O3 Yb1 O6 123.2(4) . . ?
O11 Yb1 O6 152.9(3) . . ?
O2 Yb1 O5' 82.9(5) . . ?
O3 Yb1 O5' 75.9(3) . . ?
O11 Yb1 O5' 158.9(3) . . ?
O6 Yb1 O5' 47.3(5) . . ?
O2 Yb1 N3 148.03(12) . . ?
O3 Yb1 N3 75.55(11) . . ?
O11 Yb1 N3 87.59(12) . . ?
O6 Yb1 N3 103.0(5) . . ?
O5' Yb1 N3 90.9(5) . . ?
O2 Yb1 N2 141.36(12) . . ?
O3 Yb1 N2 140.96(11) . . ?
O11 Yb1 N2 80.77(11) . . ?
O6 Yb1 N2 80.2(5) . . ?
O5' Yb1 N2 118.0(3) . . ?
N3 Yb1 N2 68.36(12) . . ?
O2 Yb1 O6' 110.9(4) . . ?
O3 Yb1 O6' 124.1(2) . . ?
O11 Yb1 O6' 149.9(2) . . ?
O6 Yb1 O6' 15.4(4) . . ?
O5' Yb1 O6' 50.9(3) . . ?
N3 Yb1 O6' 88.3(4) . . ?
N2 Yb1 O6' 70.0(2) . . ?
O2 Yb1 N1 73.78(11) . . ?
O3 Yb1 N1 143.66(11) . . ?
O11 Yb1 N1 81.84(11) . . ?
O6 Yb1 N1 73.3(3) . . ?
O5' Yb1 N1 112.9(5) . . ?
N3 Yb1 N1 136.40(12) . . ?
N2 Yb1 N1 68.22(12) . . ?
O6' Yb1 N1 80.8(3) . . ?
O2 Yb1 O5 98.0(5) . . ?
O3 Yb1 O5 75.8(3) . . ?
O11 Yb1 O5 155.7(2) . . ?
O6 Yb1 O5 50.4(4) . . ?
O5' Yb1 O5 15.9(4) . . ?
N3 Yb1 O5 75.4(4) . . ?
N2 Yb1 O5 107.9(4) . . ?
O6' Yb1 O5 48.3(4) . . ?
N1 Yb1 O5 122.4(2) . . ?
O2 Li1 O3 79.4(3) . . ?
O2 Li1 O8 115.4(4) . . ?
O3 Li1 O8 110.4(4) . . ?
O2 Li1 O1 76.2(3) . . ?
O3 Li1 O1 144.3(4) . . ?
O8 Li1 O1 103.5(4) . . ?
O2 Li1 O4 142.6(4) . . ?
O3 Li1 O4 75.9(3) . . ?
O8 Li1 O4 99.4(3) . . ?
O1 Li1 O4 109.7(4) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O2 C2 C3 118.5(4) . . ?
O2 C2 C7 123.5(4) . . ?
C3 C2 C7 118.1(4) . . ?
C4 C3 O1 124.8(4) . . ?
C4 C3 C2 122.0(4) . . ?
O1 C3 C2 113.2(4) . . ?
C3 C4 C5 119.1(5) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C6 C5 C4 120.2(5) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C7 121.3(5) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 H6 119.4 . . ?
C6 C7 C2 119.4(4) . . ?
C6 C7 C8 118.2(4) . . ?
C2 C7 C8 122.3(4) . . ?
N1 C8 C7 127.4(4) . . ?
N1 C8 H8 116.3 . . ?
C7 C8 H8 116.3 . . ?
N1 C9 C10 113.3(4) . . ?
N1 C9 H9A 108.9 . . ?
C10 C9 H9A 108.9 . . ?
N1 C9 H9B 108.9 . . ?
C10 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
N2 C10 C11 120.8(4) . . ?
N2 C10 C9 118.7(4) . . ?
C11 C10 C9 120.4(4) . . ?
C10 C11 C12 120.2(4) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C13 C12 C11 118.4(4) . . ?
C13 C12 H12 120.8 . . ?
C11 C12 H12 120.8 . . ?
C12 C13 C14 119.3(5) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
N2 C14 C13 122.5(4) . . ?
N2 C14 C15 118.3(4) . . ?
C13 C14 C15 119.2(4) . . ?
N3 C15 C14 113.9(4) . . ?
N3 C15 H15A 108.8 . . ?
C14 C15 H15A 108.8 . . ?
N3 C15 H15B 108.8 . . ?
C14 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
N3 C16 C17 128.0(4) . . ?
N3 C16 H16 116.0 . . ?
C17 C16 H16 116.0 . . ?
C22 C17 C18 120.1(4) . . ?
C22 C17 C16 123.0(4) . . ?
C18 C17 C16 116.9(4) . . ?
C19 C18 C17 120.3(5) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C20 120.6(4) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C21 C20 C19 119.7(4) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
O4 C21 C20 125.1(4) . . ?
O4 C21 C22 113.7(4) . . ?
C20 C21 C22 121.2(4) . . ?
O3 C22 C17 123.9(4) . . ?
O3 C22 C21 118.2(4) . . ?
C17 C22 C21 117.9(4) . . ?
O4 C23 H23A 109.5 . . ?
O4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O11 C24 H24A 109.5 . . ?
O11 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O11 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O12 C25 H25A 109.5 . . ?
O12 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O12 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C8 N1 C9 113.2(4) . . ?
C8 N1 Yb1 128.7(3) . . ?
C9 N1 Yb1 117.9(3) . . ?
C14 N2 C10 118.8(4) . . ?
C14 N2 Yb1 120.6(3) . . ?
C10 N2 Yb1 120.4(3) . . ?
C16 N3 C15 113.4(4) . . ?
C16 N3 Yb1 128.3(3) . . ?
C15 N3 Yb1 118.2(3) . . ?
O10 N5 O9 114.2(5) . . ?
O10 N5 O8 124.8(5) . . ?
O9 N5 O8 120.2(5) . . ?
C3 O1 C1 118.0(4) . . ?
C3 O1 Li1 112.6(3) . . ?
C1 O1 Li1 128.0(4) . . ?
C2 O2 Li1 116.1(3) . . ?
C2 O2 Yb1 139.1(3) . . ?
Li1 O2 Yb1 104.5(2) . . ?
C22 O3 Li1 118.2(3) . . ?
C22 O3 Yb1 135.0(3) . . ?
Li1 O3 Yb1 103.2(2) . . ?
C21 O4 C23 116.5(3) . . ?
C21 O4 Li1 113.5(3) . . ?
C23 O4 Li1 129.7(4) . . ?
O6 N4 O7 136.4(13) . . ?
O6 N4 O5' 100.3(14) . . ?
O7 N4 O5' 119.3(12) . . ?
N4 O5' Yb1 98.5(7) . . ?
N4 O6 Yb1 101.1(8) . . ?
N5 O8 Li1 124.0(4) . . ?
C24 O11 Yb1 128.9(3) . . ?
C24 O11 H10 109(3) . . ?
Yb1 O11 H10 118(3) . . ?
C25 O12 H12A 109.5 . . ?

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
O2 C2 C3 C4 180.0(5) . . . . ?
C7 C2 C3 C4 -0.7(7) . . . . ?
O2 C2 C3 O1 1.4(6) . . . . ?
C7 C2 C3 O1 -179.3(4) . . . . ?
O1 C3 C4 C5 178.3(5) . . . . ?
C2 C3 C4 C5 -0.2(8) . . . . ?
C3 C4 C5 C6 0.8(8) . . . . ?
C4 C5 C6 C7 -0.6(8) . . . . ?
C5 C6 C7 C2 -0.3(8) . . . . ?
C5 C6 C7 C8 178.1(5) . . . . ?
O2 C2 C7 C6 -179.8(4) . . . . ?
C3 C2 C7 C6 0.9(7) . . . . ?
O2 C2 C7 C8 1.9(7) . . . . ?
C3 C2 C7 C8 -177.4(4) . . . . ?
C6 C7 C8 N1 176.2(5) . . . . ?
C2 C7 C8 N1 -5.5(7) . . . . ?
N1 C9 C10 N2 14.0(7) . . . . ?
N1 C9 C10 C11 -168.7(4) . . . . ?
N2 C10 C11 C12 0.5(7) . . . . ?
C9 C10 C11 C12 -176.7(5) . . . . ?
C10 C11 C12 C13 0.3(8) . . . . ?
C11 C12 C13 C14 0.4(8) . . . . ?
C12 C13 C14 N2 -1.9(7) . . . . ?
C12 C13 C14 C15 177.5(5) . . . . ?
N2 C14 C15 N3 -3.5(6) . . . . ?
C13 C14 C15 N3 177.0(4) . . . . ?
N3 C16 C17 C22 9.4(7) . . . . ?
N3 C16 C17 C18 -170.5(4) . . . . ?
C22 C17 C18 C19 -2.6(7) . . . . ?
C16 C17 C18 C19 177.3(4) . . . . ?
C17 C18 C19 C20 0.3(8) . . . . ?
C18 C19 C20 C21 1.9(8) . . . . ?
C19 C20 C21 O4 179.2(4) . . . . ?
C19 C20 C21 C22 -1.8(7) . . . . ?
C18 C17 C22 O3 -176.7(4) . . . . ?
C16 C17 C22 O3 3.4(7) . . . . ?
C18 C17 C22 C21 2.7(6) . . . . ?
C16 C17 C22 C21 -177.2(4) . . . . ?
O4 C21 C22 O3 -1.9(5) . . . . ?
C20 C21 C22 O3 178.9(4) . . . . ?
O4 C21 C22 C17 178.6(4) . . . . ?
C20 C21 C22 C17 -0.5(6) . . . . ?
C7 C8 N1 C9 175.7(4) . . . . ?
C7 C8 N1 Yb1 -9.8(7) . . . . ?
C10 C9 N1 C8 163.3(4) . . . . ?
C10 C9 N1 Yb1 -11.9(5) . . . . ?
O2 Yb1 N1 C8 18.4(4) . . . . ?
O3 Yb1 N1 C8 41.0(5) . . . . ?
O11 Yb1 N1 C8 108.0(4) . . . . ?
O6 Yb1 N1 C8 -82.9(7) . . . . ?
O5' Yb1 N1 C8 -56.4(5) . . . . ?
N3 Yb1 N1 C8 -174.3(3) . . . . ?
N2 Yb1 N1 C8 -168.8(4) . . . . ?
O6' Yb1 N1 C8 -96.7(5) . . . . ?
O5 Yb1 N1 C8 -70.9(6) . . . . ?
O2 Yb1 N1 C9 -167.4(4) . . . . ?
O3 Yb1 N1 C9 -144.8(3) . . . . ?
O11 Yb1 N1 C9 -77.8(3) . . . . ?
O6 Yb1 N1 C9 91.4(7) . . . . ?
O5' Yb1 N1 C9 117.9(5) . . . . ?
N3 Yb1 N1 C9 0.0(4) . . . . ?
N2 Yb1 N1 C9 5.5(3) . . . . ?
O6' Yb1 N1 C9 77.6(4) . . . . ?
O5 Yb1 N1 C9 103.4(6) . . . . ?
C13 C14 N2 C10 2.6(6) . . . . ?
C15 C14 N2 C10 -176.8(4) . . . . ?
C13 C14 N2 Yb1 -172.3(3) . . . . ?
C15 C14 N2 Yb1 8.3(5) . . . . ?
C11 C10 N2 C14 -1.9(6) . . . . ?
C9 C10 N2 C14 175.4(4) . . . . ?
C11 C10 N2 Yb1 173.0(3) . . . . ?
C9 C10 N2 Yb1 -9.7(6) . . . . ?
O2 Yb1 N2 C14 -171.9(3) . . . . ?
O3 Yb1 N2 C14 -30.7(4) . . . . ?
O11 Yb1 N2 C14 -98.0(3) . . . . ?
O6 Yb1 N2 C14 101.3(5) . . . . ?
O5' Yb1 N2 C14 71.9(7) . . . . ?
N3 Yb1 N2 C14 -7.0(3) . . . . ?
O6' Yb1 N2 C14 89.3(5) . . . . ?
N1 Yb1 N2 C14 177.1(3) . . . . ?
O5 Yb1 N2 C14 58.6(4) . . . . ?
O2 Yb1 N2 C10 13.3(4) . . . . ?
O3 Yb1 N2 C10 154.4(3) . . . . ?
O11 Yb1 N2 C10 87.1(3) . . . . ?
O6 Yb1 N2 C10 -73.5(5) . . . . ?
O5' Yb1 N2 C10 -102.9(7) . . . . ?
N3 Yb1 N2 C10 178.2(4) . . . . ?
O6' Yb1 N2 C10 -85.6(5) . . . . ?
N1 Yb1 N2 C10 2.3(3) . . . . ?
O5 Yb1 N2 C10 -116.2(4) . . . . ?
C17 C16 N3 C15 178.0(4) . . . . ?
C17 C16 N3 Yb1 1.3(7) . . . . ?
C14 C15 N3 C16 -179.8(4) . . . . ?
C14 C15 N3 Yb1 -2.7(6) . . . . ?
O2 Yb1 N3 C16 -16.6(5) . . . . ?
O3 Yb1 N3 C16 -13.8(4) . . . . ?
O11 Yb1 N3 C16 -97.6(4) . . . . ?
O6 Yb1 N3 C16 107.6(5) . . . . ?
O5' Yb1 N3 C16 61.4(5) . . . . ?
N2 Yb1 N3 C16 -178.7(4) . . . . ?
O6' Yb1 N3 C16 112.1(4) . . . . ?
N1 Yb1 N3 C16 -173.1(3) . . . . ?
O5 Yb1 N3 C16 64.9(5) . . . . ?
O2 Yb1 N3 C15 166.8(3) . . . . ?
O3 Yb1 N3 C15 169.5(3) . . . . ?
O11 Yb1 N3 C15 85.7(3) . . . . ?
O6 Yb1 N3 C15 -69.1(5) . . . . ?
O5' Yb1 N3 C15 -115.3(4) . . . . ?
N2 Yb1 N3 C15 4.7(3) . . . . ?
O6' Yb1 N3 C15 -64.5(4) . . . . ?
N1 Yb1 N3 C15 10.2(4) . . . . ?
O5 Yb1 N3 C15 -111.7(4) . . . . ?
C4 C3 O1 C1 -0.9(7) . . . . ?
C2 C3 O1 C1 177.6(4) . . . . ?
C4 C3 O1 Li1 167.1(5) . . . . ?
C2 C3 O1 Li1 -14.3(5) . . . . ?
O2 Li1 O1 C3 16.0(4) . . . . ?
O3 Li1 O1 C3 64.1(8) . . . . ?
O8 Li1 O1 C3 -97.3(4) . . . . ?
O4 Li1 O1 C3 157.4(4) . . . . ?
O2 Li1 O1 C1 -177.4(4) . . . . ?
O3 Li1 O1 C1 -129.3(7) . . . . ?
O8 Li1 O1 C1 69.3(6) . . . . ?
O4 Li1 O1 C1 -36.1(6) . . . . ?
C3 C2 O2 Li1 13.2(6) . . . . ?
C7 C2 O2 Li1 -166.1(4) . . . . ?
C3 C2 O2 Yb1 -158.3(3) . . . . ?
C7 C2 O2 Yb1 22.3(7) . . . . ?
O3 Li1 O2 C2 -169.5(3) . . . . ?
O8 Li1 O2 C2 82.8(5) . . . . ?
O1 Li1 O2 C2 -15.7(4) . . . . ?
O4 Li1 O2 C2 -120.2(6) . . . . ?
O3 Li1 O2 Yb1 4.8(3) . . . . ?
O8 Li1 O2 Yb1 -102.9(4) . . . . ?
O1 Li1 O2 Yb1 158.6(2) . . . . ?
O4 Li1 O2 Yb1 54.1(7) . . . . ?
O3 Yb1 O2 C2 167.6(5) . . . . ?
O11 Yb1 O2 C2 -108.5(4) . . . . ?
O6 Yb1 O2 C2 44.5(5) . . . . ?
O5' Yb1 O2 C2 90.2(6) . . . . ?
N3 Yb1 O2 C2 170.3(4) . . . . ?
N2 Yb1 O2 C2 -36.9(5) . . . . ?
O6' Yb1 O2 C2 47.0(5) . . . . ?
N1 Yb1 O2 C2 -26.2(4) . . . . ?
O5 Yb1 O2 C2 95.3(5) . . . . ?
O3 Yb1 O2 Li1 -4.6(3) . . . . ?
O11 Yb1 O2 Li1 79.3(3) . . . . ?
O6 Yb1 O2 Li1 -127.7(4) . . . . ?
O5' Yb1 O2 Li1 -82.0(5) . . . . ?
N3 Yb1 O2 Li1 -1.8(4) . . . . ?
N2 Yb1 O2 Li1 150.9(3) . . . . ?
O6' Yb1 O2 Li1 -125.2(4) . . . . ?
N1 Yb1 O2 Li1 161.6(3) . . . . ?
O5 Yb1 O2 Li1 -76.9(3) . . . . ?
C17 C22 O3 Li1 175.5(4) . . . . ?
C21 C22 O3 Li1 -3.9(6) . . . . ?
C17 C22 O3 Yb1 -29.8(6) . . . . ?
C21 C22 O3 Yb1 150.8(3) . . . . ?
O2 Li1 O3 C22 157.2(3) . . . . ?
O8 Li1 O3 C22 -89.4(5) . . . . ?
O1 Li1 O3 C22 109.8(7) . . . . ?
O4 Li1 O3 C22 5.5(4) . . . . ?
O2 Li1 O3 Yb1 -4.8(3) . . . . ?
O8 Li1 O3 Yb1 108.6(3) . . . . ?
O1 Li1 O3 Yb1 -52.1(8) . . . . ?
O4 Li1 O3 Yb1 -156.45(19) . . . . ?
O2 Yb1 O3 C22 -152.7(4) . . . . ?
O11 Yb1 O3 C22 118.0(4) . . . . ?
O6 Yb1 O3 C22 -67.5(7) . . . . ?
O5' Yb1 O3 C22 -65.9(6) . . . . ?
N3 Yb1 O3 C22 28.8(4) . . . . ?
N2 Yb1 O3 C22 51.5(4) . . . . ?
O6' Yb1 O3 C22 -48.9(6) . . . . ?
N1 Yb1 O3 C22 -175.5(3) . . . . ?
O5 Yb1 O3 C22 -49.4(6) . . . . ?
O2 Yb1 O3 Li1 4.6(3) . . . . ?
O11 Yb1 O3 Li1 -84.7(3) . . . . ?
O6 Yb1 O3 Li1 89.8(6) . . . . ?
O5' Yb1 O3 Li1 91.4(6) . . . . ?
N3 Yb1 O3 Li1 -173.9(3) . . . . ?
N2 Yb1 O3 Li1 -151.2(3) . . . . ?
O6' Yb1 O3 Li1 108.4(5) . . . . ?
N1 Yb1 O3 Li1 -18.2(3) . . . . ?
O5 Yb1 O3 Li1 107.8(5) . . . . ?
C20 C21 O4 C23 0.2(6) . . . . ?
C22 C21 O4 C23 -178.9(4) . . . . ?
C20 C21 O4 Li1 -174.6(4) . . . . ?
C22 C21 O4 Li1 6.3(5) . . . . ?
O2 Li1 O4 C21 -56.5(7) . . . . ?
O3 Li1 O4 C21 -6.3(4) . . . . ?
O8 Li1 O4 C21 102.6(4) . . . . ?
O1 Li1 O4 C21 -149.4(3) . . . . ?
O2 Li1 O4 C23 129.6(6) . . . . ?
O3 Li1 O4 C23 179.8(4) . . . . ?
O8 Li1 O4 C23 -71.3(5) . . . . ?
O1 Li1 O4 C23 36.7(6) . . . . ?
O6 N4 O5' Yb1 32.1(16) . . . . ?
O7 N4 O5' Yb1 -166.7(13) . . . . ?
O2 Yb1 O5' N4 -126.3(12) . . . . ?
O3 Yb1 O5' N4 160.0(13) . . . . ?
O11 Yb1 O5' N4 170.8(4) . . . . ?
O6 Yb1 O5' N4 -21.8(12) . . . . ?
N3 Yb1 O5' N4 85.2(11) . . . . ?
N2 Yb1 O5' N4 19.3(14) . . . . ?
O6' Yb1 O5' N4 -1.9(11) . . . . ?
N1 Yb1 O5' N4 -57.3(13) . . . . ?
O5 Yb1 O5' N4 72.5(14) . . . . ?
O7 N4 O6 Yb1 171.0(15) . . . . ?
O5' N4 O6 Yb1 -32.9(16) . . . . ?
O2 Yb1 O6 N4 97.2(12) . . . . ?
O3 Yb1 O6 N4 24.5(15) . . . . ?
O11 Yb1 O6 N4 -167.5(3) . . . . ?
O5' Yb1 O6 N4 22.4(13) . . . . ?
N3 Yb1 O6 N4 -56.6(13) . . . . ?
N2 Yb1 O6 N4 -121.5(12) . . . . ?
O6' Yb1 O6 N4 -74.1(15) . . . . ?
N1 Yb1 O6 N4 168.4(13) . . . . ?
O5 Yb1 O6 N4 1.6(12) . . . . ?
O10 N5 O8 Li1 -158.0(6) . . . . ?
O9 N5 O8 Li1 11.6(8) . . . . ?
O2 Li1 O8 N5 -140.3(5) . . . . ?
O3 Li1 O8 N5 132.0(5) . . . . ?
O1 Li1 O8 N5 -59.4(6) . . . . ?
O4 Li1 O8 N5 53.6(6) . . . . ?
O2 Yb1 O11 C24 -107.6(4) . . . . ?
O3 Yb1 O11 C24 -34.9(4) . . . . ?
O6 Yb1 O11 C24 155.2(12) . . . . ?
O5' Yb1 O11 C24 -45.4(15) . . . . ?
N3 Yb1 O11 C24 40.8(4) . . . . ?
N2 Yb1 O11 C24 109.3(4) . . . . ?
O6' Yb1 O11 C24 123.1(9) . . . . ?
N1 Yb1 O11 C24 178.4(4) . . . . ?
O5 Yb1 O11 C24 -4.0(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.49
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.560
_refine_diff_density_min         -0.647
_refine_diff_density_rms         0.092
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p21c
_database_code_depnum_ccdc_archive 'CCDC 1419621'
_audit_update_record             
;
2015-08-19 deposited with the CCDC.
2016-03-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H29 N5 Na O12 Yb'
_chemical_formula_weight         787.56

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'
Na Na 0.0362 0.0249 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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'

_cell_length_a                   10.5784(6)
_cell_length_b                   17.3413(10)
_cell_length_c                   16.6413(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.996(3)
_cell_angle_gamma                90.00
_cell_volume                     2948.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4289
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      23.85

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1564
_exptl_absorpt_coefficient_mu    3.257
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15434
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.73
_diffrn_reflns_theta_max         25.49
_reflns_number_total             5478
_reflns_number_gt                4306
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0280P)²+0.8406P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5478
_refine_ls_number_parameters     406
_refine_ls_number_restraints     97
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0292
_refine_ls_wR_factor_ref         0.0649
_refine_ls_wR_factor_gt          0.0599
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.440585(17) 0.284985(10) 0.905134(11) 0.03454(7) Uani 1 1 d . . .
Na1 Na 0.21088(17) 0.13066(9) 0.88304(12) 0.0517(5) Uani 1 1 d . . .
C1 C 0.0219(6) 0.1035(3) 1.0127(4) 0.0736(17) Uani 1 1 d . . .
H1A H 0.0356 0.1069 1.0719 0.110 Uiso 1 1 calc R . .
H1B H 0.0425 0.0523 0.9981 0.110 Uiso 1 1 calc R . .
H1C H -0.0679 0.1148 0.9859 0.110 Uiso 1 1 calc R . .
C2 C 0.1722(4) 0.2835(2) 0.9721(2) 0.0370(10) Uani 1 1 d . . .
C3 C 0.0862(4) 0.2341(2) 1.0003(3) 0.0426(11) Uani 1 1 d . . .
C4 C -0.0052(5) 0.2623(3) 1.0371(3) 0.0570(13) Uani 1 1 d . . .
H4 H -0.0610 0.2285 1.0545 0.068 Uiso 1 1 calc R . .
C5 C -0.0158(5) 0.3413(3) 1.0487(3) 0.0677(15) Uani 1 1 d . . .
H5 H -0.0771 0.3603 1.0749 0.081 Uiso 1 1 calc R . .
C6 C 0.0643(5) 0.3904(3) 1.0216(3) 0.0586(14) Uani 1 1 d . . .
H6 H 0.0570 0.4432 1.0293 0.070 Uiso 1 1 calc R . .
C7 C 0.1582(4) 0.3631(2) 0.9820(3) 0.0397(10) Uani 1 1 d . . .
C8 C 0.2318(4) 0.4188(2) 0.9495(3) 0.0450(11) Uani 1 1 d . . .
H8 H 0.2106 0.4702 0.9552 0.054 Uiso 1 1 calc R . .
C9 C 0.3662(5) 0.4767(3) 0.8781(3) 0.0632(15) Uani 1 1 d . . .
H9A H 0.3665 0.5196 0.9156 0.076 Uiso 1 1 calc R . .
H9B H 0.3033 0.4885 0.8258 0.076 Uiso 1 1 calc R . .
C10 C 0.4979(4) 0.4699(2) 0.8632(3) 0.0430(11) Uani 1 1 d . . .
C11 C 0.5609(5) 0.5349(3) 0.8463(3) 0.0552(13) Uani 1 1 d . . .
H11 H 0.5226 0.5833 0.8458 0.066 Uiso 1 1 calc R . .
C12 C 0.6803(6) 0.5274(3) 0.8302(3) 0.0634(15) Uani 1 1 d . . .
H12 H 0.7248 0.5706 0.8188 0.076 Uiso 1 1 calc R . .
C13 C 0.7340(5) 0.4553(3) 0.8311(3) 0.0564(13) Uani 1 1 d . . .
H13 H 0.8155 0.4491 0.8204 0.068 Uiso 1 1 calc R . .
C14 C 0.6663(5) 0.3921(3) 0.8479(3) 0.0464(12) Uani 1 1 d . . .
C15 C 0.7236(5) 0.3143(3) 0.8487(4) 0.0729(17) Uani 1 1 d . . .
H15A H 0.7459 0.3060 0.7963 0.087 Uiso 1 1 calc R . .
H15B H 0.8041 0.3119 0.8928 0.087 Uiso 1 1 calc R . .
C16 C 0.6790(4) 0.1848(3) 0.8481(3) 0.0450(11) Uani 1 1 d . . .
H16 H 0.7556 0.1842 0.8306 0.054 Uiso 1 1 calc R . .
C17 C 0.6233(4) 0.1105(2) 0.8573(3) 0.0403(10) Uani 1 1 d . . .
C18 C 0.7007(5) 0.0455(3) 0.8521(3) 0.0598(14) Uani 1 1 d . . .
H18 H 0.7817 0.0520 0.8409 0.072 Uiso 1 1 calc R . .
C19 C 0.6576(5) -0.0267(3) 0.8633(4) 0.0684(16) Uani 1 1 d . . .
H19 H 0.7099 -0.0692 0.8605 0.082 Uiso 1 1 calc R . .
C20 C 0.5367(5) -0.0371(3) 0.8789(3) 0.0602(14) Uani 1 1 d . . .
H20 H 0.5080 -0.0865 0.8870 0.072 Uiso 1 1 calc R . .
C21 C 0.4592(4) 0.0253(2) 0.8825(3) 0.0406(11) Uani 1 1 d . . .
C22 C 0.4998(4) 0.1021(2) 0.8720(2) 0.0361(10) Uani 1 1 d . . .
C23 C 0.2927(5) -0.0551(3) 0.9109(3) 0.0651(15) Uani 1 1 d . . .
H23A H 0.2958 -0.0883 0.8653 0.098 Uiso 1 1 calc R . .
H23B H 0.2045 -0.0522 0.9160 0.098 Uiso 1 1 calc R . .
H23C H 0.3485 -0.0753 0.9614 0.098 Uiso 1 1 calc R . .
C24 C 0.3419(6) 0.2551(3) 0.6974(3) 0.0707(16) Uani 1 1 d . . .
H24A H 0.3602 0.2910 0.6579 0.106 Uiso 1 1 calc R . .
H24B H 0.2631 0.2274 0.6723 0.106 Uiso 1 1 calc R . .
H24C H 0.4133 0.2195 0.7141 0.106 Uiso 1 1 calc R . .
C25 C 0.0036(6) 0.3155(4) 0.7474(4) 0.090(2) Uani 1 1 d . . .
H25A H 0.0053 0.3224 0.8049 0.135 Uiso 1 1 calc R . .
H25B H 0.0234 0.2628 0.7379 0.135 Uiso 1 1 calc R . .
H25C H -0.0818 0.3282 0.7132 0.135 Uiso 1 1 calc R . .
N1 N 0.3230(3) 0.40672(19) 0.9137(2) 0.0419(9) Uani 1 1 d . . .
N2 N 0.5496(3) 0.3986(2) 0.8642(2) 0.0404(9) Uani 1 1 d . . .
N3 N 0.6365(3) 0.2516(2) 0.8610(2) 0.0433(9) Uani 1 1 d . . .
N4 N 0.6017(5) 0.2812(3) 1.0720(3) 0.0633(11) Uani 1 1 d U . .
N5 N 0.0154(4) 0.0501(3) 0.7604(3) 0.0629(12) Uani 1 1 d . . .
O1 O 0.1044(3) 0.15757(18) 0.9864(2) 0.0590(9) Uani 1 1 d . . .
O2 O 0.2594(3) 0.25389(16) 0.93716(19) 0.0445(7) Uani 1 1 d . . .
O3 O 0.4224(3) 0.16024(15) 0.87524(18) 0.0422(7) Uani 1 1 d . . .
O4 O 0.3362(3) 0.02012(16) 0.8960(2) 0.0527(8) Uani 1 1 d . . .
O5 O 0.5502(5) 0.2228(2) 1.0354(3) 0.0986(14) Uani 1 1 d U . .
O6 O 0.5757(4) 0.3401(2) 1.0295(2) 0.0900(13) Uani 1 1 d U . .
O7 O 0.6679(5) 0.2803(2) 1.1428(3) 0.1050(15) Uani 1 1 d U . .
O8 O 0.0768(4) 0.1066(3) 0.7475(3) 0.0983(14) Uani 1 1 d U . .
O9 O 0.0200(4) 0.0341(3) 0.8318(3) 0.1020(14) Uani 1 1 d U . .
O10 O -0.0443(4) 0.0077(3) 0.7044(3) 0.1041(15) Uani 1 1 d U . .
O11 O 0.3259(3) 0.29582(17) 0.76800(19) 0.0451(8) Uani 1 1 d D . .
O12 O 0.0974(3) 0.3642(2) 0.7269(2) 0.0694(10) Uani 1 1 d . . .
H12A H 0.0805 0.4092 0.7350 0.104 Uiso 1 1 calc R . .
H10 H 0.259(3) 0.321(2) 0.759(3) 0.055(15) Uiso 1 1 d D . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 O2 2.185(3) . ?
Yb1 O3 2.217(3) . ?
Yb1 O11 2.298(3) . ?
Yb1 O6 2.389(4) . ?
Yb1 O5 2.431(4) . ?
Yb1 N3 2.440(4) . ?
Yb1 N2 2.466(3) . ?
Yb1 N1 2.473(3) . ?
Na1 O4 2.309(3) . ?
Na1 O2 2.324(3) . ?
Na1 O3 2.332(3) . ?
Na1 O1 2.334(4) . ?
Na1 O8 2.370(4) . ?
Na1 O9 2.592(5) . ?
C1 O1 1.425(5) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 O2 1.315(5) . ?
C2 C7 1.403(5) . ?
C2 C3 1.415(6) . ?
C3 C4 1.361(6) . ?
C3 O1 1.370(5) . ?
C4 C5 1.393(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.358(7) . ?
C5 H5 0.9300 . ?
C6 C7 1.408(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.431(6) . ?
C8 N1 1.274(5) . ?
C8 H8 0.9300 . ?
C9 N1 1.474(5) . ?
C9 C10 1.482(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 N2 1.350(5) . ?
C10 C11 1.376(6) . ?
C11 C12 1.364(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.372(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.376(6) . ?
C13 H13 0.9300 . ?
C14 N2 1.335(5) . ?
C14 C15 1.479(7) . ?
C15 N3 1.474(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 N3 1.280(5) . ?
C16 C17 1.441(6) . ?
C16 H16 0.9300 . ?
C17 C22 1.397(6) . ?
C17 C18 1.409(6) . ?
C18 C19 1.362(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.381(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.369(6) . ?
C20 H20 0.9300 . ?
C21 O4 1.379(5) . ?
C21 C22 1.423(6) . ?
C22 O3 1.309(5) . ?
C23 O4 1.426(5) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 O11 1.418(5) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 O12 1.409(7) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
N4 O7 1.204(5) . ?
N4 O6 1.232(5) . ?
N4 O5 1.233(5) . ?
N5 O9 1.209(5) . ?
N5 O10 1.225(5) . ?
N5 O8 1.225(5) . ?
O11 H10 0.819(19) . ?
O12 H12A 0.8200 . ?

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
O2 Yb1 O3 77.49(10) . . ?
O2 Yb1 O11 89.52(11) . . ?
O3 Yb1 O11 82.19(11) . . ?
O2 Yb1 O6 104.66(14) . . ?
O3 Yb1 O6 125.61(12) . . ?
O11 Yb1 O6 150.60(12) . . ?
O2 Yb1 O5 85.34(15) . . ?
O3 Yb1 O5 76.16(13) . . ?
O11 Yb1 O5 158.34(13) . . ?
O6 Yb1 O5 50.53(13) . . ?
O2 Yb1 N3 151.79(12) . . ?
O3 Yb1 N3 74.46(11) . . ?
O11 Yb1 N3 89.53(12) . . ?
O6 Yb1 N3 89.49(14) . . ?
O5 Yb1 N3 85.23(16) . . ?
O2 Yb1 N2 140.07(11) . . ?
O3 Yb1 N2 137.49(11) . . ?
O11 Yb1 N2 79.91(11) . . ?
O6 Yb1 N2 72.68(13) . . ?
O5 Yb1 N2 116.86(14) . . ?
N3 Yb1 N2 67.19(12) . . ?
O2 Yb1 N1 73.17(11) . . ?
O3 Yb1 N1 146.12(11) . . ?
O11 Yb1 N1 81.00(11) . . ?
O6 Yb1 N1 78.80(13) . . ?
O5 Yb1 N1 117.27(14) . . ?
N3 Yb1 N1 134.34(12) . . ?
N2 Yb1 N1 67.19(12) . . ?
O4 Na1 O2 131.53(14) . . ?
O4 Na1 O3 69.61(11) . . ?
O2 Na1 O3 72.56(11) . . ?
O4 Na1 O1 118.18(14) . . ?
O2 Na1 O1 68.35(11) . . ?
O3 Na1 O1 130.56(14) . . ?
O4 Na1 O8 97.49(15) . . ?
O2 Na1 O8 123.27(15) . . ?
O3 Na1 O8 109.41(15) . . ?
O1 Na1 O8 116.89(16) . . ?
O4 Na1 O9 82.77(14) . . ?
O2 Na1 O9 142.82(15) . . ?
O3 Na1 O9 143.22(14) . . ?
O1 Na1 O9 83.57(14) . . ?
O8 Na1 O9 49.43(14) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O2 C2 C7 122.9(4) . . ?
O2 C2 C3 119.7(4) . . ?
C7 C2 C3 117.4(4) . . ?
C4 C3 O1 124.8(4) . . ?
C4 C3 C2 121.7(4) . . ?
O1 C3 C2 113.6(4) . . ?
C3 C4 C5 120.5(5) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 119.4(5) . . ?
C6 C5 H5 120.3 . . ?
C4 C5 H5 120.3 . . ?
C5 C6 C7 121.4(5) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C2 C7 C6 119.6(4) . . ?
C2 C7 C8 122.3(4) . . ?
C6 C7 C8 118.0(4) . . ?
N1 C8 C7 128.1(4) . . ?
N1 C8 H8 115.9 . . ?
C7 C8 H8 115.9 . . ?
N1 C9 C10 113.8(4) . . ?
N1 C9 H9A 108.8 . . ?
C10 C9 H9A 108.8 . . ?
N1 C9 H9B 108.8 . . ?
C10 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
N2 C10 C11 122.5(4) . . ?
N2 C10 C9 117.8(4) . . ?
C11 C10 C9 119.6(4) . . ?
C12 C11 C10 118.9(5) . . ?
C12 C11 H11 120.5 . . ?
C10 C11 H11 120.5 . . ?
C11 C12 C13 119.2(5) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C12 C13 C14 119.4(5) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
N2 C14 C13 122.2(4) . . ?
N2 C14 C15 118.2(4) . . ?
C13 C14 C15 119.6(4) . . ?
N3 C15 C14 113.9(4) . . ?
N3 C15 H15A 108.8 . . ?
C14 C15 H15A 108.8 . . ?
N3 C15 H15B 108.8 . . ?
C14 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
N3 C16 C17 128.3(4) . . ?
N3 C16 H16 115.8 . . ?
C17 C16 H16 115.8 . . ?
C22 C17 C18 120.7(4) . . ?
C22 C17 C16 122.6(4) . . ?
C18 C17 C16 116.7(4) . . ?
C19 C18 C17 120.5(5) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 120.3(5) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C21 C20 C19 119.9(5) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 O4 123.8(4) . . ?
C20 C21 C22 122.1(4) . . ?
O4 C21 C22 114.1(4) . . ?
O3 C22 C17 123.3(4) . . ?
O3 C22 C21 120.2(4) . . ?
C17 C22 C21 116.4(4) . . ?
O4 C23 H23A 109.5 . . ?
O4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O11 C24 H24A 109.5 . . ?
O11 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O11 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O12 C25 H25A 109.5 . . ?
O12 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O12 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C8 N1 C9 113.8(4) . . ?
C8 N1 Yb1 128.3(3) . . ?
C9 N1 Yb1 117.8(3) . . ?
C14 N2 C10 117.8(4) . . ?
C14 N2 Yb1 120.8(3) . . ?
C10 N2 Yb1 121.2(3) . . ?
C16 N3 C15 112.6(4) . . ?
C16 N3 Yb1 128.9(3) . . ?
C15 N3 Yb1 118.5(3) . . ?
O7 N4 O6 124.0(5) . . ?
O7 N4 O5 122.9(5) . . ?
O6 N4 O5 113.2(4) . . ?
O9 N5 O10 119.4(5) . . ?
O9 N5 O8 117.8(5) . . ?
O10 N5 O8 122.6(5) . . ?
C3 O1 C1 117.5(4) . . ?
C3 O1 Na1 115.7(3) . . ?
C1 O1 Na1 123.1(3) . . ?
C2 O2 Yb1 140.4(3) . . ?
C2 O2 Na1 114.8(3) . . ?
Yb1 O2 Na1 104.60(12) . . ?
C22 O3 Yb1 137.9(3) . . ?
C22 O3 Na1 116.9(2) . . ?
Yb1 O3 Na1 103.35(11) . . ?
C21 O4 C23 116.7(3) . . ?
C21 O4 Na1 118.3(2) . . ?
C23 O4 Na1 124.9(3) . . ?
N4 O5 Yb1 97.1(3) . . ?
N4 O6 Yb1 99.2(3) . . ?
N5 O8 Na1 100.9(3) . . ?
N5 O9 Na1 90.3(3) . . ?
C24 O11 Yb1 129.6(3) . . ?
C24 O11 H10 113(3) . . ?
Yb1 O11 H10 116(3) . . ?
C25 O12 H12A 109.5 . . ?

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
O2 C2 C3 C4 179.7(4) . . . . ?
C7 C2 C3 C4 -1.1(6) . . . . ?
O2 C2 C3 O1 -0.7(6) . . . . ?
C7 C2 C3 O1 178.4(4) . . . . ?
O1 C3 C4 C5 179.8(5) . . . . ?
C2 C3 C4 C5 -0.7(7) . . . . ?
C3 C4 C5 C6 1.3(8) . . . . ?
C4 C5 C6 C7 -0.1(8) . . . . ?
O2 C2 C7 C6 -178.6(4) . . . . ?
C3 C2 C7 C6 2.3(6) . . . . ?
O2 C2 C7 C8 4.5(6) . . . . ?
C3 C2 C7 C8 -174.6(4) . . . . ?
C5 C6 C7 C2 -1.7(7) . . . . ?
C5 C6 C7 C8 175.3(5) . . . . ?
C2 C7 C8 N1 -5.1(7) . . . . ?
C6 C7 C8 N1 178.0(4) . . . . ?
N1 C9 C10 N2 15.2(6) . . . . ?
N1 C9 C10 C11 -166.9(4) . . . . ?
N2 C10 C11 C12 -0.2(7) . . . . ?
C9 C10 C11 C12 -178.1(5) . . . . ?
C10 C11 C12 C13 0.2(7) . . . . ?
C11 C12 C13 C14 0.1(8) . . . . ?
C12 C13 C14 N2 -0.5(7) . . . . ?
C12 C13 C14 C15 179.8(5) . . . . ?
N2 C14 C15 N3 4.8(7) . . . . ?
C13 C14 C15 N3 -175.5(4) . . . . ?
N3 C16 C17 C22 9.0(7) . . . . ?
N3 C16 C17 C18 -170.0(4) . . . . ?
C22 C17 C18 C19 -1.6(7) . . . . ?
C16 C17 C18 C19 177.4(5) . . . . ?
C17 C18 C19 C20 0.8(8) . . . . ?
C18 C19 C20 C21 0.5(8) . . . . ?
C19 C20 C21 O4 178.6(5) . . . . ?
C19 C20 C21 C22 -1.1(7) . . . . ?
C18 C17 C22 O3 -178.2(4) . . . . ?
C16 C17 C22 O3 2.9(7) . . . . ?
C18 C17 C22 C21 1.0(6) . . . . ?
C16 C17 C22 C21 -178.0(4) . . . . ?
C20 C21 C22 O3 179.6(4) . . . . ?
O4 C21 C22 O3 -0.2(6) . . . . ?
C20 C21 C22 C17 0.3(6) . . . . ?
O4 C21 C22 C17 -179.4(4) . . . . ?
C7 C8 N1 C9 172.4(4) . . . . ?
C7 C8 N1 Yb1 -11.6(7) . . . . ?
C10 C9 N1 C8 159.9(4) . . . . ?
C10 C9 N1 Yb1 -16.6(5) . . . . ?
O2 Yb1 N1 C8 18.8(4) . . . . ?
O3 Yb1 N1 C8 49.9(5) . . . . ?
O11 Yb1 N1 C8 111.1(4) . . . . ?
O6 Yb1 N1 C8 -90.4(4) . . . . ?
O5 Yb1 N1 C8 -56.6(4) . . . . ?
N3 Yb1 N1 C8 -168.5(3) . . . . ?
N2 Yb1 N1 C8 -166.2(4) . . . . ?
O2 Yb1 N1 C9 -165.3(3) . . . . ?
O3 Yb1 N1 C9 -134.2(3) . . . . ?
O11 Yb1 N1 C9 -73.0(3) . . . . ?
O6 Yb1 N1 C9 85.5(3) . . . . ?
O5 Yb1 N1 C9 119.3(3) . . . . ?
N3 Yb1 N1 C9 7.4(4) . . . . ?
N2 Yb1 N1 C9 9.7(3) . . . . ?
C13 C14 N2 C10 0.5(6) . . . . ?
C15 C14 N2 C10 -179.8(4) . . . . ?
C13 C14 N2 Yb1 -175.0(3) . . . . ?
C15 C14 N2 Yb1 4.7(6) . . . . ?
C11 C10 N2 C14 -0.1(6) . . . . ?
C9 C10 N2 C14 177.7(4) . . . . ?
C11 C10 N2 Yb1 175.3(3) . . . . ?
C9 C10 N2 Yb1 -6.8(5) . . . . ?
O2 Yb1 N2 C14 -178.8(3) . . . . ?
O3 Yb1 N2 C14 -35.3(4) . . . . ?
O11 Yb1 N2 C14 -101.8(3) . . . . ?
O6 Yb1 N2 C14 88.9(3) . . . . ?
O5 Yb1 N2 C14 63.6(4) . . . . ?
N3 Yb1 N2 C14 -8.1(3) . . . . ?
N1 Yb1 N2 C14 173.8(4) . . . . ?
O2 Yb1 N2 C10 5.9(4) . . . . ?
O3 Yb1 N2 C10 149.4(3) . . . . ?
O11 Yb1 N2 C10 82.9(3) . . . . ?
O6 Yb1 N2 C10 -86.4(3) . . . . ?
O5 Yb1 N2 C10 -111.7(3) . . . . ?
N3 Yb1 N2 C10 176.6(3) . . . . ?
N1 Yb1 N2 C10 -1.6(3) . . . . ?
C17 C16 N3 C15 177.3(5) . . . . ?
C17 C16 N3 Yb1 -1.0(7) . . . . ?
C14 C15 N3 C16 169.4(4) . . . . ?
C14 C15 N3 Yb1 -12.1(6) . . . . ?
O2 Yb1 N3 C16 -4.1(5) . . . . ?
O3 Yb1 N3 C16 -10.2(4) . . . . ?
O11 Yb1 N3 C16 -92.2(4) . . . . ?
O6 Yb1 N3 C16 117.2(4) . . . . ?
O5 Yb1 N3 C16 66.7(4) . . . . ?
N2 Yb1 N3 C16 -171.5(4) . . . . ?
N1 Yb1 N3 C16 -169.1(3) . . . . ?
O2 Yb1 N3 C15 177.7(3) . . . . ?
O3 Yb1 N3 C15 171.6(4) . . . . ?
O11 Yb1 N3 C15 89.6(3) . . . . ?
O6 Yb1 N3 C15 -61.0(4) . . . . ?
O5 Yb1 N3 C15 -111.5(4) . . . . ?
N2 Yb1 N3 C15 10.3(3) . . . . ?
N1 Yb1 N3 C15 12.7(4) . . . . ?
C4 C3 O1 C1 -0.4(7) . . . . ?
C2 C3 O1 C1 -179.9(4) . . . . ?
C4 C3 O1 Na1 158.7(4) . . . . ?
C2 C3 O1 Na1 -20.8(5) . . . . ?
O4 Na1 O1 C3 149.8(3) . . . . ?
O2 Na1 O1 C3 23.1(3) . . . . ?
O3 Na1 O1 C3 63.3(4) . . . . ?
O8 Na1 O1 C3 -94.3(3) . . . . ?
O9 Na1 O1 C3 -132.0(3) . . . . ?
O4 Na1 O1 C1 -52.4(4) . . . . ?
O2 Na1 O1 C1 -179.1(4) . . . . ?
O3 Na1 O1 C1 -138.9(4) . . . . ?
O8 Na1 O1 C1 63.5(4) . . . . ?
O9 Na1 O1 C1 25.8(4) . . . . ?
C7 C2 O2 Yb1 18.3(7) . . . . ?
C3 C2 O2 Yb1 -162.7(3) . . . . ?
C7 C2 O2 Na1 -157.3(3) . . . . ?
C3 C2 O2 Na1 21.8(5) . . . . ?
O3 Yb1 O2 C2 173.1(4) . . . . ?
O11 Yb1 O2 C2 -104.8(4) . . . . ?
O6 Yb1 O2 C2 49.2(4) . . . . ?
O5 Yb1 O2 C2 96.3(4) . . . . ?
N3 Yb1 O2 C2 167.1(4) . . . . ?
N2 Yb1 O2 C2 -31.2(5) . . . . ?
N1 Yb1 O2 C2 -24.0(4) . . . . ?
O3 Yb1 O2 Na1 -11.07(12) . . . . ?
O11 Yb1 O2 Na1 71.04(13) . . . . ?
O6 Yb1 O2 Na1 -135.02(14) . . . . ?
O5 Yb1 O2 Na1 -87.90(15) . . . . ?
N3 Yb1 O2 Na1 -17.1(3) . . . . ?
N2 Yb1 O2 Na1 144.59(14) . . . . ?
N1 Yb1 O2 Na1 151.78(16) . . . . ?
O4 Na1 O2 C2 -132.2(3) . . . . ?
O3 Na1 O2 C2 -172.2(3) . . . . ?
O1 Na1 O2 C2 -23.1(3) . . . . ?
O8 Na1 O2 C2 85.7(3) . . . . ?
O9 Na1 O2 C2 20.7(4) . . . . ?
O4 Na1 O2 Yb1 50.8(2) . . . . ?
O3 Na1 O2 Yb1 10.77(12) . . . . ?
O1 Na1 O2 Yb1 159.86(16) . . . . ?
O8 Na1 O2 Yb1 -91.39(19) . . . . ?
O9 Na1 O2 Yb1 -156.4(2) . . . . ?
C17 C22 O3 Yb1 -26.3(6) . . . . ?
C21 C22 O3 Yb1 154.5(3) . . . . ?
C17 C22 O3 Na1 172.2(3) . . . . ?
C21 C22 O3 Na1 -7.0(5) . . . . ?
O2 Yb1 O3 C22 -152.1(4) . . . . ?
O11 Yb1 O3 C22 116.6(4) . . . . ?
O6 Yb1 O3 C22 -52.9(4) . . . . ?
O5 Yb1 O3 C22 -63.9(4) . . . . ?
N3 Yb1 O3 C22 24.9(4) . . . . ?
N2 Yb1 O3 C22 50.9(4) . . . . ?
N1 Yb1 O3 C22 177.4(3) . . . . ?
O2 Yb1 O3 Na1 10.97(12) . . . . ?
O11 Yb1 O3 Na1 -80.27(13) . . . . ?
O6 Yb1 O3 Na1 110.18(17) . . . . ?
O5 Yb1 O3 Na1 99.20(17) . . . . ?
N3 Yb1 O3 Na1 -171.97(15) . . . . ?
N2 Yb1 O3 Na1 -145.98(13) . . . . ?
N1 Yb1 O3 Na1 -19.4(3) . . . . ?
O4 Na1 O3 C22 7.7(3) . . . . ?
O2 Na1 O3 C22 156.8(3) . . . . ?
O1 Na1 O3 C22 117.9(3) . . . . ?
O8 Na1 O3 C22 -83.2(3) . . . . ?
O9 Na1 O3 C22 -36.1(4) . . . . ?
O4 Na1 O3 Yb1 -159.67(15) . . . . ?
O2 Na1 O3 Yb1 -10.55(12) . . . . ?
O1 Na1 O3 Yb1 -49.5(2) . . . . ?
O8 Na1 O3 Yb1 109.39(16) . . . . ?
O9 Na1 O3 Yb1 156.5(2) . . . . ?
C20 C21 O4 C23 3.1(6) . . . . ?
C22 C21 O4 C23 -177.2(4) . . . . ?
C20 C21 O4 Na1 -172.3(4) . . . . ?
C22 C21 O4 Na1 7.5(5) . . . . ?
O2 Na1 O4 C21 -48.8(4) . . . . ?
O3 Na1 O4 C21 -8.0(3) . . . . ?
O1 Na1 O4 C21 -134.0(3) . . . . ?
O8 Na1 O4 C21 100.0(3) . . . . ?
O9 Na1 O4 C21 147.3(3) . . . . ?
O2 Na1 O4 C23 136.2(3) . . . . ?
O3 Na1 O4 C23 177.1(4) . . . . ?
O1 Na1 O4 C23 51.1(4) . . . . ?
O8 Na1 O4 C23 -74.9(4) . . . . ?
O9 Na1 O4 C23 -27.6(4) . . . . ?
O7 N4 O5 Yb1 178.7(5) . . . . ?
O6 N4 O5 Yb1 0.4(6) . . . . ?
O2 Yb1 O5 N4 -113.6(4) . . . . ?
O3 Yb1 O5 N4 168.2(4) . . . . ?
O11 Yb1 O5 N4 169.6(3) . . . . ?
O6 Yb1 O5 N4 -0.3(3) . . . . ?
N3 Yb1 O5 N4 93.0(4) . . . . ?
N2 Yb1 O5 N4 31.6(4) . . . . ?
N1 Yb1 O5 N4 -45.2(4) . . . . ?
O7 N4 O6 Yb1 -178.7(5) . . . . ?
O5 N4 O6 Yb1 -0.4(6) . . . . ?
O2 Yb1 O6 N4 71.3(4) . . . . ?
O3 Yb1 O6 N4 -13.6(4) . . . . ?
O11 Yb1 O6 N4 -172.1(3) . . . . ?
O5 Yb1 O6 N4 0.3(4) . . . . ?
N3 Yb1 O6 N4 -84.0(4) . . . . ?
N2 Yb1 O6 N4 -150.2(4) . . . . ?
N1 Yb1 O6 N4 140.4(4) . . . . ?
O9 N5 O8 Na1 13.4(6) . . . . ?
O10 N5 O8 Na1 -163.1(5) . . . . ?
O4 Na1 O8 N5 66.5(4) . . . . ?
O2 Na1 O8 N5 -141.1(3) . . . . ?
O3 Na1 O8 N5 137.5(3) . . . . ?
O1 Na1 O8 N5 -60.4(4) . . . . ?
O9 Na1 O8 N5 -7.2(3) . . . . ?
O10 N5 O9 Na1 164.6(5) . . . . ?
O8 N5 O9 Na1 -12.0(5) . . . . ?
O4 Na1 O9 N5 -99.2(3) . . . . ?
O2 Na1 O9 N5 101.0(4) . . . . ?
O3 Na1 O9 N5 -58.3(4) . . . . ?
O1 Na1 O9 N5 141.3(3) . . . . ?
O8 Na1 O9 N5 7.2(3) . . . . ?
O2 Yb1 O11 C24 -120.0(4) . . . . ?
O3 Yb1 O11 C24 -42.5(4) . . . . ?
O6 Yb1 O11 C24 120.0(5) . . . . ?
O5 Yb1 O11 C24 -43.9(6) . . . . ?
N3 Yb1 O11 C24 31.9(4) . . . . ?
N2 Yb1 O11 C24 98.8(4) . . . . ?
N1 Yb1 O11 C24 167.0(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.49
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.506
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.086
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p-1
_database_code_depnum_ccdc_archive 'CCDC 1419622'
_audit_update_record             
;
2015-08-19 deposited with the CCDC.
2016-03-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C92 H84 N20 O40 Rb4 Yb4'
_chemical_formula_weight         3143.83

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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.2689(10)
_cell_length_b                   13.8207(11)
_cell_length_c                   16.0314(15)
_cell_angle_alpha                89.063(4)
_cell_angle_beta                 84.408(5)
_cell_angle_gamma                88.521(4)
_cell_volume                     2704.3(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1512
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      20.21

_exptl_crystal_description       stick
_exptl_crystal_colour            light-yellow
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.930
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1524
_exptl_absorpt_coefficient_mu    5.310
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8978
_exptl_absorpt_correction_T_max  0.9657
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13891
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_av_sigmaI/netI    0.1412
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.94
_diffrn_reflns_theta_max         25.04
_reflns_number_total             9441
_reflns_number_gt                4845
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0491P)²+0.8341P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9441
_refine_ls_number_parameters     735
_refine_ls_number_restraints     1022
_refine_ls_R_factor_all          0.1492
_refine_ls_R_factor_gt           0.0666
_refine_ls_wR_factor_ref         0.1465
_refine_ls_wR_factor_gt          0.1275
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      0.963
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Rb1 Rb 0.57927(13) 0.89058(11) 0.09786(10) 0.0739(5) Uani 1 1 d . . .
Rb2 Rb 0.60632(12) 0.75932(11) 0.33260(12) 0.0757(5) Uani 1 1 d . A .
Yb1 Yb 0.37812(4) 1.04570(4) 0.25635(4) 0.0401(2) Uani 1 1 d . A .
Yb2 Yb 0.84207(4) 0.57167(4) 0.27256(4) 0.03585(18) Uani 1 1 d . A .
C1 C 0.4947(12) 0.6366(9) 0.1225(10) 0.073(4) Uani 1 1 d U . .
H1A H 0.4681 0.5836 0.1575 0.109 Uiso 1 1 calc R . .
H1B H 0.5733 0.6363 0.1188 0.109 Uiso 1 1 calc R . .
H1C H 0.4714 0.6301 0.0674 0.109 Uiso 1 1 calc R . .
C2 C 0.3411(10) 0.7451(9) 0.1548(8) 0.043(3) Uani 1 1 d U . .
C3 C 0.2695(11) 0.6773(10) 0.1300(8) 0.052(3) Uani 1 1 d U . .
H3 H 0.2962 0.6165 0.1128 0.062 Uiso 1 1 calc R . .
C4 C 0.1611(10) 0.6991(10) 0.1307(8) 0.051(3) Uani 1 1 d U . .
H4 H 0.1135 0.6531 0.1146 0.061 Uiso 1 1 calc R . .
C5 C 0.1206(11) 0.7913(9) 0.1557(8) 0.050(3) Uani 1 1 d U . .
H5 H 0.0459 0.8051 0.1571 0.060 Uiso 1 1 calc R . .
C6 C 0.1896(11) 0.8620(10) 0.1785(8) 0.049(3) Uani 1 1 d U . .
C7 C 0.3038(11) 0.8391(9) 0.1804(8) 0.047(3) Uani 1 1 d U . .
C8 C 0.1442(11) 0.9535(10) 0.2031(8) 0.051(3) Uani 1 1 d U . .
H8 H 0.0685 0.9591 0.2029 0.062 Uiso 1 1 calc R . .
C9 C 0.1148(10) 1.1135(9) 0.2425(8) 0.051(3) Uani 1 1 d U . .
H9A H 0.0396 1.0923 0.2499 0.061 Uiso 1 1 calc R . .
H9B H 0.1218 1.1580 0.1949 0.061 Uiso 1 1 calc R . .
C10 C 0.1401(11) 1.1642(9) 0.3186(9) 0.047(3) Uani 1 1 d U . .
C11 C 0.0663(11) 1.2238(10) 0.3627(8) 0.052(3) Uani 1 1 d U . .
H11 H -0.0046 1.2317 0.3474 0.062 Uiso 1 1 calc R . .
C12 C 0.0986(11) 1.2728(10) 0.4309(8) 0.052(3) Uani 1 1 d U . .
H12 H 0.0497 1.3145 0.4613 0.062 Uiso 1 1 calc R . .
C13 C 0.2050(11) 1.2589(9) 0.4534(8) 0.048(3) Uani 1 1 d U . .
H13 H 0.2267 1.2897 0.5000 0.058 Uiso 1 1 calc R . .
C14 C 0.2764(11) 1.2002(9) 0.4069(9) 0.047(3) Uani 1 1 d U . .
C15 C 0.3900(10) 1.1778(9) 0.4292(8) 0.048(3) Uani 1 1 d U . .
H15A H 0.4192 1.2341 0.4538 0.058 Uiso 1 1 calc R . .
H15B H 0.3888 1.1252 0.4701 0.058 Uiso 1 1 calc R . .
C16 C 0.5518(10) 1.1883(8) 0.3453(8) 0.041(3) Uani 1 1 d U . .
H16 H 0.5659 1.2295 0.3881 0.049 Uiso 1 1 calc R . .
C17 C 0.6337(10) 1.1140(9) 0.2089(8) 0.044(3) Uani 1 1 d U . .
C18 C 0.6419(10) 1.1762(8) 0.2761(8) 0.041(3) Uani 1 1 d U . .
C19 C 0.7358(10) 1.2310(8) 0.2808(8) 0.044(3) Uani 1 1 d U . .
H19 H 0.7388 1.2728 0.3253 0.053 Uiso 1 1 calc R . .
C20 C 0.8214(11) 1.2242(9) 0.2221(9) 0.049(3) Uani 1 1 d U . .
H20 H 0.8839 1.2596 0.2271 0.059 Uiso 1 1 calc R . .
C21 C 0.8167(11) 1.1658(9) 0.1559(9) 0.051(3) Uani 1 1 d U . .
H21 H 0.8755 1.1628 0.1147 0.062 Uiso 1 1 calc R . .
C22 C 0.7245(10) 1.1095(9) 0.1479(9) 0.048(3) Uani 1 1 d U A .
C23 C 0.8116(19) 1.0277(19) 0.0249(15) 0.058(6) Uani 0.71(3) 1 d PU A 1
H23A H 0.8355 1.0876 -0.0011 0.087 Uiso 0.71(3) 1 calc PR A 1
H23B H 0.7918 0.9846 -0.0172 0.087 Uiso 0.71(3) 1 calc PR A 1
H23C H 0.8699 0.9986 0.0532 0.087 Uiso 0.71(3) 1 calc PR A 1
C24 C 0.415(8) 0.577(9) 0.495(4) 0.058(9) Uani 0.22(9) 1 d PDU B 1
H24A H 0.3418 0.5868 0.4794 0.087 Uiso 0.22(9) 1 calc PR B 1
H24B H 0.4274 0.6224 0.5378 0.087 Uiso 0.22(9) 1 calc PR B 1
H24C H 0.4237 0.5124 0.5162 0.087 Uiso 0.22(9) 1 calc PR B 1
C25 C 0.4902(6) 0.5215(5) 0.3625(5) 0.049(3) Uani 1 1 d GU B .
C26 C 0.3990(5) 0.4650(6) 0.3572(5) 0.052(3) Uani 1 1 d GU . .
H26 H 0.3378 0.4728 0.3957 0.062 Uiso 1 1 calc R . .
C27 C 0.3993(5) 0.3970(5) 0.2942(6) 0.054(3) Uani 1 1 d GU . .
H27 H 0.3384 0.3592 0.2907 0.065 Uiso 1 1 calc R . .
C28 C 0.4908(7) 0.3855(5) 0.2366(5) 0.055(3) Uani 1 1 d GU . .
H28 H 0.4910 0.3399 0.1945 0.065 Uiso 1 1 calc R . .
C29 C 0.5819(5) 0.4419(6) 0.2419(5) 0.042(3) Uani 1 1 d GU . .
C30 C 0.5816(5) 0.5099(6) 0.3048(6) 0.041(3) Uani 1 1 d GU B .
C31 C 0.6696(10) 0.4306(9) 0.1789(9) 0.045(3) Uani 1 1 d U . .
H31 H 0.6586 0.3860 0.1379 0.054 Uiso 1 1 calc R . .
C32 C 0.8329(10) 0.4492(9) 0.0921(8) 0.048(3) Uani 1 1 d U . .
H32A H 0.8320 0.5035 0.0530 0.057 Uiso 1 1 calc R . .
H32B H 0.8065 0.3930 0.0654 0.057 Uiso 1 1 calc R . .
C33 C 0.9494(10) 0.4292(9) 0.1148(8) 0.042(3) Uani 1 1 d U . .
C34 C 1.0215(11) 0.3681(9) 0.0660(8) 0.049(3) Uani 1 1 d U . .
H34 H 0.9991 0.3386 0.0191 0.059 Uiso 1 1 calc R . .
C35 C 1.1235(11) 0.3526(10) 0.0879(9) 0.057(3) Uani 1 1 d U . .
H35 H 1.1727 0.3126 0.0560 0.068 Uiso 1 1 calc R . .
C36 C 1.1549(11) 0.3972(9) 0.1589(9) 0.052(3) Uani 1 1 d U . .
H36 H 1.2257 0.3885 0.1743 0.062 Uiso 1 1 calc R . .
C37 C 1.0776(10) 0.4555(9) 0.2068(8) 0.043(3) Uani 1 1 d U . .
C38 C 1.1024(10) 0.5047(10) 0.2869(9) 0.052(3) Uani 1 1 d U . .
H38A H 1.0946 0.4585 0.3331 0.062 Uiso 1 1 calc R . .
H38B H 1.1777 0.5256 0.2807 0.062 Uiso 1 1 calc R . .
C39 C 1.0750(10) 0.6591(9) 0.3353(8) 0.041(3) Uani 1 1 d U . .
H39 H 1.1490 0.6516 0.3428 0.050 Uiso 1 1 calc R . .
C40 C 0.9153(10) 0.7755(8) 0.3513(8) 0.036(3) Uani 1 1 d U B .
C41 C 1.0241(10) 0.7516(9) 0.3586(8) 0.039(3) Uani 1 1 d U . .
C42 C 1.0955(10) 0.8194(9) 0.3895(8) 0.047(3) Uani 1 1 d U . .
H42 H 1.1680 0.8019 0.3954 0.056 Uiso 1 1 calc R . .
C43 C 1.0579(10) 0.9076(9) 0.4097(8) 0.050(3) Uani 1 1 d U . .
H43 H 1.1054 0.9516 0.4290 0.060 Uiso 1 1 calc R . .
C44 C 0.9502(10) 0.9361(9) 0.4030(8) 0.043(3) Uani 1 1 d U . .
H44 H 0.9259 0.9986 0.4169 0.052 Uiso 1 1 calc R . .
C45 C 0.8802(10) 0.8711(9) 0.3755(8) 0.041(3) Uani 1 1 d U B .
C46 C 0.7361(11) 0.9885(9) 0.3809(10) 0.067(4) Uani 1 1 d U B .
H46A H 0.7422 1.0052 0.4381 0.101 Uiso 1 1 calc R . .
H46B H 0.6613 0.9967 0.3689 0.101 Uiso 1 1 calc R . .
H46C H 0.7816 1.0297 0.3444 0.101 Uiso 1 1 calc R . .
C23' C 0.767(5) 1.080(5) 0.001(3) 0.054(8) Uani 0.29(3) 1 d PU A 2
H23D H 0.7624 1.0294 -0.0391 0.081 Uiso 0.29(3) 1 calc PR A 2
H23E H 0.8427 1.0942 0.0043 0.081 Uiso 0.29(3) 1 calc PR A 2
H23F H 0.7284 1.1365 -0.0162 0.081 Uiso 0.29(3) 1 calc PR A 2
C24' C 0.3906(18) 0.612(3) 0.474(2) 0.059(6) Uani 0.78(9) 1 d PDU B 2
H24D H 0.3335 0.6274 0.4385 0.088 Uiso 0.78(9) 1 calc PR B 2
H24E H 0.3993 0.6659 0.5096 0.088 Uiso 0.78(9) 1 calc PR B 2
H24F H 0.3715 0.5560 0.5075 0.088 Uiso 0.78(9) 1 calc PR B 2
N1 N 0.1892(8) 1.0286(7) 0.2251(6) 0.045(3) Uani 1 1 d . . .
N2 N 0.2445(8) 1.1502(7) 0.3405(7) 0.042(3) Uani 1 1 d . . .
N3 N 0.4598(7) 1.1502(7) 0.3530(6) 0.039(3) Uani 1 1 d . . .
N4 N 0.7607(8) 0.4715(7) 0.1696(7) 0.042(3) Uani 1 1 d . . .
N5 N 0.9771(8) 0.4706(6) 0.1852(6) 0.036(3) Uani 1 1 d . . .
N6 N 1.0305(7) 0.5868(7) 0.3056(6) 0.035(3) Uani 1 1 d . . .
N7 N 0.3751(10) 1.1717(10) 0.1075(9) 0.057(3) Uani 1 1 d . . .
N8 N 0.3985(10) 0.9136(9) 0.3964(8) 0.056(3) Uani 1 1 d . A .
N9 N 0.8538(9) 0.4518(10) 0.4198(8) 0.050(3) Uani 1 1 d . B .
N10 N 0.8162(10) 0.7256(11) 0.1355(8) 0.059(4) Uani 1 1 d . A .
O1 O 0.4512(7) 0.7276(6) 0.1584(6) 0.058(3) Uani 1 1 d . . .
O2 O 0.3753(7) 0.9014(6) 0.2030(6) 0.053(3) Uani 1 1 d . . .
O3 O 0.5487(6) 1.0595(6) 0.2024(5) 0.050(2) Uani 1 1 d . . .
O4 O 0.7178(8) 1.0462(7) 0.0847(6) 0.066(3) Uani 1 1 d . . .
O5 O 0.4941(7) 0.5928(7) 0.4214(6) 0.063(3) Uani 1 1 d D . .
O6 O 0.6682(6) 0.5644(5) 0.3147(5) 0.045(2) Uani 1 1 d . . .
O7 O 0.8449(6) 0.7153(6) 0.3250(5) 0.042(2) Uani 1 1 d . . .
O8 O 0.7702(7) 0.8911(6) 0.3682(6) 0.058(3) Uani 1 1 d . . .
O9 O 0.3571(7) 1.1973(6) 0.1836(6) 0.055(3) Uani 1 1 d U . .
O10 O 0.3838(10) 1.2322(8) 0.0529(7) 0.084(4) Uani 1 1 d U . .
O11 O 0.3810(8) 1.0825(7) 0.0947(6) 0.059(3) Uani 1 1 d U . .
O12 O 0.3113(8) 0.9619(7) 0.3860(6) 0.064(3) Uani 1 1 d U . .
O13 O 0.4004(10) 0.8497(9) 0.4495(8) 0.103(4) Uani 1 1 d U . .
O14 O 0.4805(8) 0.9342(7) 0.3473(7) 0.069(3) Uani 1 1 d U . .
O15 O 0.8354(8) 0.5398(7) 0.4299(6) 0.063(3) Uani 1 1 d U . .
O16 O 0.8612(9) 0.3957(9) 0.4789(8) 0.093(4) Uani 1 1 d U . .
O17 O 0.8675(7) 0.4207(6) 0.3446(6) 0.055(3) Uani 1 1 d U . .
O18 O 0.8906(8) 0.6623(6) 0.1457(6) 0.056(3) Uani 1 1 d U . .
O19 O 0.8382(11) 0.7912(8) 0.0820(9) 0.103(4) Uani 1 1 d U . .
O20 O 0.7265(8) 0.7195(9) 0.1743(7) 0.085(4) Uani 1 1 d U . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Rb1 O4 2.768(9) . ?
Rb1 O2 2.880(8) . ?
Rb1 O1 2.881(9) . ?
Rb1 O3 2.891(8) . ?
Rb1 O10 2.968(11) 2_675 ?
Rb1 O11 3.095(9) 2_675 ?
Rb1 O20 3.236(12) . ?
Rb1 N7 3.407(15) 2_675 ?
Rb1 O19 3.417(12) . ?
Rb1 O11 3.556(10) . ?
Rb1 Rb1 4.832(4) 2_675 ?
Rb2 O6 2.791(8) . ?
Rb2 O14 2.835(9) . ?
Rb2 O8 2.851(8) . ?
Rb2 O20 2.862(10) . ?
Rb2 O7 2.966(8) . ?
Rb2 O5 2.982(9) . ?
Rb2 O13 3.233(12) . ?
Rb2 O1 3.568(9) . ?
Yb1 O2 2.185(8) . ?
Yb1 O3 2.197(8) . ?
Yb1 O9 2.401(9) . ?
Yb1 N1 2.437(11) . ?
Yb1 N3 2.437(9) . ?
Yb1 O12 2.444(10) . ?
Yb1 N2 2.471(9) . ?
Yb1 O14 2.502(10) . ?
Yb1 O11 2.630(9) . ?
Yb2 O7 2.171(7) . ?
Yb2 O6 2.178(8) . ?
Yb2 O17 2.397(9) . ?
Yb2 O18 2.403(9) . ?
Yb2 N6 2.436(9) . ?
Yb2 N4 2.471(10) . ?
Yb2 N5 2.480(9) . ?
Yb2 O15 2.547(10) . ?
Yb2 O20 2.974(12) . ?
C1 O1 1.459(14) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 O1 1.372(14) . ?
C2 C3 1.389(16) . ?
C2 C7 1.420(16) . ?
C3 C4 1.355(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.406(17) . ?
C4 H4 0.9300 . ?
C5 C6 1.385(16) . ?
C5 H5 0.9300 . ?
C6 C8 1.415(17) . ?
C6 C7 1.431(17) . ?
C7 O2 1.325(14) . ?
C8 N1 1.260(15) . ?
C8 H8 0.9300 . ?
C9 N1 1.481(14) . ?
C9 C10 1.480(17) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.361(15) . ?
C10 N2 1.368(15) . ?
C11 C12 1.391(17) . ?
C11 H11 0.9300 . ?
C12 C13 1.395(17) . ?
C12 H12 0.9300 . ?
C13 C14 1.356(15) . ?
C13 H13 0.9300 . ?
C14 N2 1.372(15) . ?
C14 C15 1.496(17) . ?
C15 N3 1.472(14) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 N3 1.253(14) . ?
C16 C18 1.497(16) . ?
C16 H16 0.9300 . ?
C17 O3 1.315(13) . ?
C17 C18 1.401(16) . ?
C17 C22 1.409(16) . ?
C18 C19 1.404(15) . ?
C19 C20 1.342(16) . ?
C19 H19 0.9300 . ?
C20 C21 1.351(16) . ?
C20 H20 0.9300 . ?
C21 C22 1.406(17) . ?
C21 H21 0.9300 . ?
C22 O4 1.360(14) . ?
C23 O4 1.45(2) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 O5 1.472(19) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 O5 1.381(10) . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C26 H26 0.9300 . ?
C27 C28 1.3900 . ?
C27 H27 0.9300 . ?
C28 C29 1.3900 . ?
C28 H28 0.9300 . ?
C29 C30 1.3900 . ?
C29 C31 1.409(14) . ?
C30 O6 1.342(9) . ?
C31 N4 1.260(14) . ?
C31 H31 0.9300 . ?
C32 N4 1.486(14) . ?
C32 C33 1.527(16) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 N5 1.349(14) . ?
C33 C34 1.398(15) . ?
C34 C35 1.343(17) . ?
C34 H34 0.9300 . ?
C35 C36 1.395(17) . ?
C35 H35 0.9300 . ?
C36 C37 1.407(16) . ?
C36 H36 0.9300 . ?
C37 N5 1.323(14) . ?
C37 C38 1.522(17) . ?
C38 N6 1.438(14) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 N6 1.271(13) . ?
C39 C41 1.447(15) . ?
C39 H39 0.9300 . ?
C40 O7 1.317(12) . ?
C40 C41 1.383(16) . ?
C40 C45 1.427(16) . ?
C41 C42 1.425(16) . ?
C42 C43 1.326(15) . ?
C42 H42 0.9300 . ?
C43 C44 1.383(16) . ?
C43 H43 0.9300 . ?
C44 C45 1.366(15) . ?
C44 H44 0.9300 . ?
C45 O8 1.386(14) . ?
C46 O8 1.411(13) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C23' O4 1.49(5) . ?
C23' H23D 0.9600 . ?
C23' H23E 0.9600 . ?
C23' H23F 0.9600 . ?
C24' O5 1.474(13) . ?
C24' H24D 0.9600 . ?
C24' H24E 0.9600 . ?
C24' H24F 0.9600 . ?
N7 O10 1.199(14) . ?
N7 O11 1.252(13) . ?
N7 O9 1.272(14) . ?
N7 Rb1 3.407(15) 2_675 ?
N8 O13 1.218(14) . ?
N8 O14 1.252(13) . ?
N8 O12 1.270(13) . ?
N9 O16 1.224(13) . ?
N9 O15 1.242(13) . ?
N9 O17 1.280(13) . ?
N10 O20 1.215(13) . ?
N10 O19 1.253(15) . ?
N10 O18 1.269(13) . ?
O10 Rb1 2.968(11) 2_675 ?
O11 Rb1 3.095(9) 2_675 ?

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
O4 Rb1 O2 120.4(2) . . ?
O4 Rb1 O1 164.1(3) . . ?
O2 Rb1 O1 54.5(2) . . ?
O4 Rb1 O3 56.2(2) . . ?
O2 Rb1 O3 64.7(2) . . ?
O1 Rb1 O3 114.3(2) . . ?
O4 Rb1 O10 110.7(3) . 2_675 ?
O2 Rb1 O10 123.7(3) . 2_675 ?
O1 Rb1 O10 81.4(3) . 2_675 ?
O3 Rb1 O10 161.0(3) . 2_675 ?
O4 Rb1 O11 78.6(3) . 2_675 ?
O2 Rb1 O11 128.6(3) . 2_675 ?
O1 Rb1 O11 116.7(3) . 2_675 ?
O3 Rb1 O11 119.3(3) . 2_675 ?
O10 Rb1 O11 41.7(3) 2_675 2_675 ?
O4 Rb1 O20 103.3(3) . . ?
O2 Rb1 O20 106.9(3) . . ?
O1 Rb1 O20 67.5(3) . . ?
O3 Rb1 O20 113.8(3) . . ?
O10 Rb1 O20 81.3(3) 2_675 . ?
O11 Rb1 O20 114.5(3) 2_675 . ?
O4 Rb1 N7 95.4(3) . 2_675 ?
O2 Rb1 N7 128.9(3) . 2_675 ?
O1 Rb1 N7 98.6(3) . 2_675 ?
O3 Rb1 N7 140.8(3) . 2_675 ?
O10 Rb1 N7 20.2(2) 2_675 2_675 ?
O11 Rb1 N7 21.5(2) 2_675 2_675 ?
O20 Rb1 N7 97.6(3) . 2_675 ?
O4 Rb1 O19 74.6(3) . . ?
O2 Rb1 O19 143.8(3) . . ?
O1 Rb1 O19 101.4(3) . . ?
O3 Rb1 O19 114.8(3) . . ?
O10 Rb1 O19 69.6(3) 2_675 . ?
O11 Rb1 O19 84.9(3) 2_675 . ?
O20 Rb1 O19 37.8(3) . . ?
N7 Rb1 O19 76.3(3) 2_675 . ?
O4 Rb1 O11 80.7(3) . . ?
O2 Rb1 O11 54.8(2) . . ?
O1 Rb1 O11 103.2(2) . . ?
O3 Rb1 O11 50.6(2) . . ?
O10 Rb1 O11 117.5(3) 2_675 . ?
O11 Rb1 O11 87.1(2) 2_675 . ?
O20 Rb1 O11 158.4(2) . . ?
N7 Rb1 O11 103.1(3) 2_675 . ?
O19 Rb1 O11 155.1(3) . . ?
O4 Rb1 Rb1 75.8(2) . 2_675 ?
O2 Rb1 Rb1 88.57(19) . 2_675 ?
O1 Rb1 Rb1 117.1(2) . 2_675 ?
O3 Rb1 Rb1 81.19(19) . 2_675 ?
O10 Rb1 Rb1 82.1(2) 2_675 2_675 ?
O11 Rb1 Rb1 47.31(18) 2_675 2_675 ?
O20 Rb1 Rb1 161.78(19) . 2_675 ?
N7 Rb1 Rb1 64.6(2) 2_675 2_675 ?
O19 Rb1 Rb1 127.6(2) . 2_675 ?
O11 Rb1 Rb1 39.77(15) . 2_675 ?
O6 Rb2 O14 162.8(3) . . ?
O6 Rb2 O8 117.6(2) . . ?
O14 Rb2 O8 79.5(3) . . ?
O6 Rb2 O20 67.2(3) . . ?
O14 Rb2 O20 117.8(3) . . ?
O8 Rb2 O20 89.6(3) . . ?
O6 Rb2 O7 64.2(2) . . ?
O14 Rb2 O7 133.0(2) . . ?
O8 Rb2 O7 54.2(2) . . ?
O20 Rb2 O7 60.5(3) . . ?
O6 Rb2 O5 54.0(2) . . ?
O14 Rb2 O5 112.9(3) . . ?
O8 Rb2 O5 135.9(3) . . ?
O20 Rb2 O5 116.6(3) . . ?
O7 Rb2 O5 106.7(2) . . ?
O6 Rb2 O13 127.5(3) . . ?
O14 Rb2 O13 41.2(3) . . ?
O8 Rb2 O13 99.3(3) . . ?
O20 Rb2 O13 153.3(3) . . ?
O7 Rb2 O13 143.5(3) . . ?
O5 Rb2 O13 73.5(3) . . ?
O6 Rb2 O1 86.4(2) . . ?
O14 Rb2 O1 82.1(3) . . ?
O8 Rb2 O1 134.0(3) . . ?
O20 Rb2 O1 63.0(3) . . ?
O7 Rb2 O1 122.7(2) . . ?
O5 Rb2 O1 90.1(2) . . ?
O13 Rb2 O1 93.7(3) . . ?
O2 Yb1 O3 89.6(3) . . ?
O2 Yb1 O9 126.6(3) . . ?
O3 Yb1 O9 82.1(3) . . ?
O2 Yb1 N1 75.7(3) . . ?
O3 Yb1 N1 145.2(3) . . ?
O9 Yb1 N1 81.9(3) . . ?
O2 Yb1 N3 146.7(3) . . ?
O3 Yb1 N3 75.6(3) . . ?
O9 Yb1 N3 81.4(3) . . ?
N1 Yb1 N3 131.7(3) . . ?
O2 Yb1 O12 83.4(3) . . ?
O3 Yb1 O12 127.7(3) . . ?
O9 Yb1 O12 140.7(3) . . ?
N1 Yb1 O12 82.5(3) . . ?
N3 Yb1 O12 82.6(3) . . ?
O2 Yb1 N2 135.1(3) . . ?
O3 Yb1 N2 135.3(3) . . ?
O9 Yb1 N2 70.8(3) . . ?
N1 Yb1 N2 65.8(3) . . ?
N3 Yb1 N2 65.9(3) . . ?
O12 Yb1 N2 69.9(3) . . ?
O2 Yb1 O14 73.1(3) . . ?
O3 Yb1 O14 77.2(3) . . ?
O9 Yb1 O14 151.4(3) . . ?
N1 Yb1 O14 125.9(3) . . ?
N3 Yb1 O14 74.5(3) . . ?
O12 Yb1 O14 51.1(3) . . ?
N2 Yb1 O14 111.6(3) . . ?
O2 Yb1 O11 77.1(3) . . ?
O3 Yb1 O11 70.9(3) . . ?
O9 Yb1 O11 50.2(3) . . ?
N1 Yb1 O11 75.0(3) . . ?
N3 Yb1 O11 123.4(3) . . ?
O12 Yb1 O11 153.2(3) . . ?
N2 Yb1 O11 112.3(3) . . ?
O14 Yb1 O11 136.1(3) . . ?
O7 Yb2 O6 89.6(3) . . ?
O7 Yb2 O17 126.7(3) . . ?
O6 Yb2 O17 87.9(3) . . ?
O7 Yb2 O18 80.9(3) . . ?
O6 Yb2 O18 116.8(3) . . ?
O17 Yb2 O18 144.7(3) . . ?
O7 Yb2 N6 76.1(3) . . ?
O6 Yb2 N6 149.4(3) . . ?
O17 Yb2 N6 79.8(3) . . ?
O18 Yb2 N6 87.9(3) . . ?
O7 Yb2 N4 144.8(3) . . ?
O6 Yb2 N4 73.9(3) . . ?
O17 Yb2 N4 84.4(3) . . ?
O18 Yb2 N4 79.4(3) . . ?
N6 Yb2 N4 131.7(3) . . ?
O7 Yb2 N5 134.1(3) . . ?
O6 Yb2 N5 135.9(3) . . ?
O17 Yb2 N5 71.6(3) . . ?
O18 Yb2 N5 73.2(3) . . ?
N6 Yb2 N5 65.8(3) . . ?
N4 Yb2 N5 65.8(3) . . ?
O7 Yb2 O15 76.2(3) . . ?
O6 Yb2 O15 75.3(3) . . ?
O17 Yb2 O15 51.7(3) . . ?
O18 Yb2 O15 154.2(3) . . ?
N6 Yb2 O15 75.1(3) . . ?
N4 Yb2 O15 126.4(3) . . ?
N5 Yb2 O15 115.3(3) . . ?
O7 Yb2 O20 67.6(3) . . ?
O6 Yb2 O20 72.9(3) . . ?
O17 Yb2 O20 156.7(3) . . ?
O18 Yb2 O20 45.7(3) . . ?
N6 Yb2 O20 123.4(3) . . ?
N4 Yb2 O20 77.8(3) . . ?
N5 Yb2 O20 113.4(3) . . ?
O15 Yb2 O20 131.1(3) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 124.0(12) . . ?
O1 C2 C7 114.5(11) . . ?
C3 C2 C7 121.5(12) . . ?
C4 C3 C2 120.5(13) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.0(13) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 121.4(13) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C5 C6 C8 118.9(13) . . ?
C5 C6 C7 119.2(13) . . ?
C8 C6 C7 121.8(12) . . ?
O2 C7 C2 119.2(12) . . ?
O2 C7 C6 123.4(12) . . ?
C2 C7 C6 117.4(12) . . ?
N1 C8 C6 130.7(13) . . ?
N1 C8 H8 114.6 . . ?
C6 C8 H8 114.6 . . ?
N1 C9 C10 111.3(11) . . ?
N1 C9 H9A 109.4 . . ?
C10 C9 H9A 109.4 . . ?
N1 C9 H9B 109.4 . . ?
C10 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C11 C10 N2 121.8(13) . . ?
C11 C10 C9 122.6(12) . . ?
N2 C10 C9 115.6(11) . . ?
C10 C11 C12 118.9(13) . . ?
C10 C11 H11 120.5 . . ?
C12 C11 H11 120.5 . . ?
C11 C12 C13 119.6(12) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C14 C13 C12 119.5(13) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C13 C14 N2 121.2(12) . . ?
C13 C14 C15 122.8(13) . . ?
N2 C14 C15 115.7(11) . . ?
N3 C15 C14 109.1(11) . . ?
N3 C15 H15A 109.9 . . ?
C14 C15 H15A 109.9 . . ?
N3 C15 H15B 109.9 . . ?
C14 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
N3 C16 C18 128.3(11) . . ?
N3 C16 H16 115.9 . . ?
C18 C16 H16 115.9 . . ?
O3 C17 C18 123.4(11) . . ?
O3 C17 C22 120.2(11) . . ?
C18 C17 C22 116.4(12) . . ?
C17 C18 C19 120.9(12) . . ?
C17 C18 C16 122.2(11) . . ?
C19 C18 C16 116.9(11) . . ?
C20 C19 C18 121.2(12) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C19 C20 C21 119.9(13) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C20 C21 C22 121.3(13) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
O4 C22 C21 123.6(12) . . ?
O4 C22 C17 116.0(12) . . ?
C21 C22 C17 120.3(12) . . ?
O4 C23 H23A 109.5 . . ?
O4 C23 H23B 109.5 . . ?
O4 C23 H23C 109.5 . . ?
O5 C24 H24A 109.5 . . ?
O5 C24 H24B 109.5 . . ?
O5 C24 H24C 109.5 . . ?
O5 C25 C26 123.1(6) . . ?
O5 C25 C30 116.8(6) . . ?
C26 C25 C30 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 C30 120.0 . . ?
C28 C29 C31 117.3(8) . . ?
C30 C29 C31 122.6(8) . . ?
O6 C30 C29 122.8(7) . . ?
O6 C30 C25 117.2(7) . . ?
C29 C30 C25 120.0 . . ?
N4 C31 C29 130.0(12) . . ?
N4 C31 H31 115.0 . . ?
C29 C31 H31 115.0 . . ?
N4 C32 C33 109.1(10) . . ?
N4 C32 H32A 109.9 . . ?
C33 C32 H32A 109.9 . . ?
N4 C32 H32B 109.9 . . ?
C33 C32 H32B 109.9 . . ?
H32A C32 H32B 108.3 . . ?
N5 C33 C34 122.4(12) . . ?
N5 C33 C32 116.7(11) . . ?
C34 C33 C32 120.9(12) . . ?
C35 C34 C33 119.1(13) . . ?
C35 C34 H34 120.5 . . ?
C33 C34 H34 120.5 . . ?
C34 C35 C36 119.4(13) . . ?
C34 C35 H35 120.3 . . ?
C36 C35 H35 120.3 . . ?
C35 C36 C37 118.7(12) . . ?
C35 C36 H36 120.6 . . ?
C37 C36 H36 120.6 . . ?
N5 C37 C36 121.7(12) . . ?
N5 C37 C38 115.4(11) . . ?
C36 C37 C38 122.9(11) . . ?
N6 C38 C37 111.6(11) . . ?
N6 C38 H38A 109.3 . . ?
C37 C38 H38A 109.3 . . ?
N6 C38 H38B 109.3 . . ?
C37 C38 H38B 109.3 . . ?
H38A C38 H38B 108.0 . . ?
N6 C39 C41 127.6(11) . . ?
N6 C39 H39 116.2 . . ?
C41 C39 H39 116.2 . . ?
O7 C40 C41 123.8(11) . . ?
O7 C40 C45 120.0(11) . . ?
C41 C40 C45 116.2(11) . . ?
C40 C41 C42 121.0(12) . . ?
C40 C41 C39 124.1(11) . . ?
C42 C41 C39 114.9(11) . . ?
C43 C42 C41 119.7(12) . . ?
C43 C42 H42 120.2 . . ?
C41 C42 H42 120.2 . . ?
C42 C43 C44 122.0(12) . . ?
C42 C43 H43 119.0 . . ?
C44 C43 H43 119.0 . . ?
C45 C44 C43 119.0(12) . . ?
C45 C44 H44 120.5 . . ?
C43 C44 H44 120.5 . . ?
C44 C45 O8 123.9(12) . . ?
C44 C45 C40 122.1(12) . . ?
O8 C45 C40 114.0(11) . . ?
O8 C46 H46A 109.5 . . ?
O8 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
O8 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
O4 C23' H23D 109.5 . . ?
O4 C23' H23E 109.5 . . ?
H23D C23' H23E 109.5 . . ?
O4 C23' H23F 109.5 . . ?
H23D C23' H23F 109.5 . . ?
H23E C23' H23F 109.5 . . ?
O5 C24' H24D 109.5 . . ?
O5 C24' H24E 109.5 . . ?
H24D C24' H24E 109.5 . . ?
O5 C24' H24F 109.5 . . ?
H24D C24' H24F 109.5 . . ?
H24E C24' H24F 109.5 . . ?
C8 N1 C9 115.4(11) . . ?
C8 N1 Yb1 127.8(9) . . ?
C9 N1 Yb1 116.4(7) . . ?
C10 N2 C14 118.9(11) . . ?
C10 N2 Yb1 120.9(9) . . ?
C14 N2 Yb1 120.1(8) . . ?
C16 N3 C15 114.4(10) . . ?
C16 N3 Yb1 129.1(8) . . ?
C15 N3 Yb1 116.4(7) . . ?
C31 N4 C32 116.9(11) . . ?
C31 N4 Yb2 127.2(9) . . ?
C32 N4 Yb2 115.6(7) . . ?
C37 N5 C33 118.5(11) . . ?
C37 N5 Yb2 120.8(9) . . ?
C33 N5 Yb2 120.7(8) . . ?
C39 N6 C38 115.2(10) . . ?
C39 N6 Yb2 128.6(8) . . ?
C38 N6 Yb2 116.2(7) . . ?
O10 N7 O11 123.9(14) . . ?
O10 N7 O9 119.7(13) . . ?
O11 N7 O9 116.4(13) . . ?
O10 N7 Rb1 58.8(8) . 2_675 ?
O11 N7 Rb1 65.1(8) . 2_675 ?
O9 N7 Rb1 178.4(10) . 2_675 ?
O13 N8 O14 122.8(13) . . ?
O13 N8 O12 121.6(12) . . ?
O14 N8 O12 115.6(13) . . ?
O16 N9 O15 122.0(14) . . ?
O16 N9 O17 120.1(13) . . ?
O15 N9 O17 117.9(12) . . ?
O20 N10 O19 122.4(15) . . ?
O20 N10 O18 120.2(15) . . ?
O19 N10 O18 117.3(12) . . ?
C2 O1 C1 115.8(10) . . ?
C2 O1 Rb1 112.0(7) . . ?
C1 O1 Rb1 112.3(8) . . ?
C2 O1 Rb2 127.8(8) . . ?
C1 O1 Rb2 103.6(7) . . ?
Rb1 O1 Rb2 80.3(2) . . ?
C7 O2 Yb1 139.5(8) . . ?
C7 O2 Rb1 112.0(7) . . ?
Yb1 O2 Rb1 102.7(3) . . ?
C17 O3 Yb1 139.7(7) . . ?
C17 O3 Rb1 118.1(7) . . ?
Yb1 O3 Rb1 102.0(3) . . ?
C22 O4 C23 120.2(12) . . ?
C22 O4 C23' 115(2) . . ?
C23 O4 C23' 39(2) . . ?
C22 O4 Rb1 123.0(8) . . ?
C23 O4 Rb1 111.2(10) . . ?
C23' O4 Rb1 120.2(19) . . ?
C25 O5 C24 112(4) . . ?
C25 O5 C24' 115.2(11) . . ?
C24 O5 C24' 26(4) . . ?
C25 O5 Rb2 106.3(6) . . ?
C24 O5 Rb2 138(5) . . ?
C24' O5 Rb2 118.2(17) . . ?
C30 O6 Yb2 139.8(6) . . ?
C30 O6 Rb2 111.2(6) . . ?
Yb2 O6 Rb2 102.5(3) . . ?
C40 O7 Yb2 139.6(7) . . ?
C40 O7 Rb2 123.0(7) . . ?
Yb2 O7 Rb2 97.4(3) . . ?
C45 O8 C46 115.4(10) . . ?
C45 O8 Rb2 127.9(7) . . ?
C46 O8 Rb2 116.7(7) . . ?
N7 O9 Yb1 101.5(8) . . ?
N7 O10 Rb1 101.0(9) . 2_675 ?
N7 O11 Yb1 91.0(8) . . ?
N7 O11 Rb1 93.4(8) . 2_675 ?
Yb1 O11 Rb1 170.8(4) . 2_675 ?
N7 O11 Rb1 138.0(8) . . ?
Yb1 O11 Rb1 78.5(2) . . ?
Rb1 O11 Rb1 92.9(2) 2_675 . ?
N8 O12 Yb1 97.5(8) . . ?
N8 O13 Rb2 86.0(9) . . ?
N8 O14 Yb1 95.2(8) . . ?
N8 O14 Rb2 104.4(8) . . ?
Yb1 O14 Rb2 138.6(4) . . ?
N9 O15 Yb2 92.1(8) . . ?
N9 O17 Yb2 98.2(8) . . ?
N10 O18 Yb2 109.3(9) . . ?
N10 O19 Rb1 94.8(9) . . ?
N10 O20 Rb2 143.2(9) . . ?
N10 O20 Yb2 82.7(9) . . ?
Rb2 O20 Yb2 83.7(3) . . ?
N10 O20 Rb1 104.8(10) . . ?
Rb2 O20 Rb1 86.6(3) . . ?
Yb2 O20 Rb1 170.2(4) . . ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        25.04
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         4.212
_refine_diff_density_min         -1.142
_refine_diff_density_rms         0.203
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_c2c
_database_code_depnum_ccdc_archive 'CCDC 1419623'
_audit_update_record             
;
2015-08-19 deposited with the CCDC.
2016-03-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H42 N9 O17 Rb Yb2'
_chemical_formula_weight         1424.44

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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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'

_cell_length_a                   18.668(18)
_cell_length_b                   17.357(17)
_cell_length_c                   16.785(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.458(11)
_cell_angle_gamma                90.00
_cell_volume                     5310(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2240
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      18.48

_exptl_crystal_description       stick
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2776
_exptl_absorpt_coefficient_mu    4.488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8241
_exptl_absorpt_correction_T_max  0.9878
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18991
_diffrn_reflns_av_R_equivalents  0.0740
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.35
_diffrn_reflns_theta_max         25.04
_reflns_number_total             4620
_reflns_number_gt                2744
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0404P)²+0.8937P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4620
_refine_ls_number_parameters     397
_refine_ls_number_restraints     228
_refine_ls_R_factor_all          0.0945
_refine_ls_R_factor_gt           0.0430
_refine_ls_wR_factor_ref         0.1016
_refine_ls_wR_factor_gt          0.0862
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      0.999
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.44457(2) 0.22887(2) 0.972871(18) 0.05827(16) Uani 1 1 d . . .
Rb1 Rb 0.5000 0.23278(6) 0.7500 0.0570(3) Uani 1 2 d S . .
C1 C 0.2806(6) 0.2452(6) 0.6234(5) 0.096(3) Uani 1 1 d . . .
H1A H 0.2828 0.2073 0.5823 0.144 Uiso 1 1 calc R A .
H1B H 0.2967 0.2940 0.6070 0.144 Uiso 1 1 calc R . .
H1C H 0.2311 0.2496 0.6303 0.144 Uiso 1 1 calc R . .
C2 C 0.3506(4) 0.1404(4) 0.8125(4) 0.0497(19) Uani 1 1 d . . .
C3 C 0.3128(4) 0.1518(5) 0.7299(4) 0.059(2) Uani 1 1 d . A .
C4 C 0.2681(5) 0.0958(6) 0.6881(5) 0.076(3) Uani 1 1 d . . .
H4 H 0.2436 0.1050 0.6346 0.091 Uiso 1 1 calc R A .
C5 C 0.2586(5) 0.0264(6) 0.7240(6) 0.086(3) Uani 1 1 d . . .
H5 H 0.2302 -0.0122 0.6943 0.103 Uiso 1 1 calc R . .
C6 C 0.2914(5) 0.0151(5) 0.8037(6) 0.073(2) Uani 1 1 d . . .
H6 H 0.2835 -0.0309 0.8289 0.088 Uiso 1 1 calc R A .
C7 C 0.3370(4) 0.0715(5) 0.8487(4) 0.054(2) Uani 1 1 d . . .
C8 C 0.3697(5) 0.0526(5) 0.9336(5) 0.065(2) Uani 1 1 d . . .
H8 H 0.3592 0.0039 0.9513 0.079 Uiso 1 1 calc R A .
C9 C 0.4337(5) 0.0624(5) 1.0686(5) 0.079(3) Uani 1 1 d . . .
H9A H 0.4852 0.0486 1.0789 0.095 Uiso 1 1 calc R A .
H9B H 0.4056 0.0161 1.0728 0.095 Uiso 1 1 calc R . .
C10 C 0.4212(4) 0.1203(6) 1.1302(4) 0.065(2) Uani 1 1 d . A .
C11 C 0.4051(5) 0.0973(7) 1.2035(6) 0.090(3) Uani 1 1 d . . .
H11 H 0.4018 0.0454 1.2163 0.108 Uiso 1 1 calc R A .
C12 C 0.3942(6) 0.1549(9) 1.2573(6) 0.102(4) Uani 1 1 d . . .
H12 H 0.3835 0.1418 1.3072 0.122 Uiso 1 1 calc R . .
C13 C 0.3991(5) 0.2301(8) 1.2372(5) 0.089(3) Uani 1 1 d . . .
H13 H 0.3921 0.2689 1.2730 0.107 Uiso 1 1 calc R A .
C14 C 0.4147(5) 0.2479(5) 1.1621(4) 0.063(2) Uani 1 1 d . A .
C15 C 0.4185(5) 0.3290(6) 1.1344(4) 0.076(3) Uani 1 1 d . . .
H15A H 0.3692 0.3481 1.1131 0.091 Uiso 1 1 calc R A .
H15B H 0.4408 0.3610 1.1806 0.091 Uiso 1 1 calc R . .
C16 C 0.5073(5) 0.3904(5) 1.0762(4) 0.061(2) Uani 1 1 d . . .
H16 H 0.5115 0.4219 1.1218 0.073 Uiso 1 1 calc R A .
C17 C 0.5525(4) 0.4097(5) 1.0196(4) 0.054(2) Uani 1 1 d . . .
C18 C 0.6037(5) 0.4711(5) 1.0407(5) 0.069(2) Uani 1 1 d . . .
H18 H 0.6075 0.4954 1.0907 0.083 Uiso 1 1 calc R A .
C19 C 0.6466(5) 0.4950(5) 0.9914(5) 0.076(3) Uani 1 1 d . . .
H19 H 0.6822 0.5326 1.0082 0.092 Uiso 1 1 calc R . .
C20 C 0.6364(5) 0.4622(4) 0.9138(5) 0.062(2) Uani 1 1 d . . .
H20 H 0.6639 0.4803 0.8778 0.074 Uiso 1 1 calc R A .
C21 C 0.5874(4) 0.4047(4) 0.8897(4) 0.0499(19) Uani 1 1 d . A .
C22 C 0.5446(4) 0.3737(4) 0.9427(4) 0.0490(19) Uani 1 1 d . . .
C23 C 0.6095(6) 0.4014(5) 0.7536(5) 0.090(3) Uani 1 1 d . . .
H23A H 0.5969 0.4549 0.7454 0.135 Uiso 1 1 calc R A .
H23B H 0.5937 0.3740 0.7032 0.135 Uiso 1 1 calc R . .
H23C H 0.6617 0.3964 0.7717 0.135 Uiso 1 1 calc R . .
N1 N 0.4108(4) 0.0953(4) 0.9862(4) 0.0604(18) Uani 1 1 d . . .
N2 N 0.4251(4) 0.1947(5) 1.1097(3) 0.0627(19) Uani 1 1 d . A .
N3 N 0.4621(4) 0.3346(4) 1.0702(3) 0.0616(19) Uani 1 1 d . . .
N4 N 0.5886(5) 0.1598(5) 0.9992(6) 0.078(2) Uani 1 1 d . . .
O1 O 0.3266(3) 0.2224(3) 0.6978(3) 0.0742(17) Uani 1 1 d . A .
O2 O 0.3945(3) 0.1940(3) 0.8498(3) 0.0654(15) Uani 1 1 d . . .
O3 O 0.4993(3) 0.3168(3) 0.9183(3) 0.0541(13) Uani 1 1 d . . .
O4 O 0.5741(3) 0.3699(3) 0.8141(3) 0.0693(16) Uani 1 1 d . A .
N5 N 0.2986(17) 0.312(2) 0.949(3) 0.031(6) Uani 0.10 1 d PDU A 1
N5' N 0.2939(8) 0.3086(8) 0.9240(9) 0.048(4) Uani 0.40 1 d PDU B 2
O8 O 0.2392(8) 0.3463(14) 0.9465(13) 0.074(6) Uani 0.30 1 d PDU A 1
O8' O 0.2299(10) 0.3301(18) 0.9233(18) 0.069(8) Uani 0.20 1 d PDU B 2
O9 O 0.311(3) 0.248(3) 0.983(5) 0.029(6) Uani 0.10 1 d PDU A 1
O9' O 0.3233(7) 0.2579(7) 0.9726(10) 0.023(2) Uani 0.40 1 d PDU B 2
O10 O 0.3444(7) 0.3413(8) 0.9133(7) 0.053(3) Uani 0.40 1 d PDU A 1
O10' O 0.3307(17) 0.344(2) 0.881(3) 0.049(6) Uani 0.10 1 d PDU B 2
O5 O 0.5475(4) 0.1536(3) 0.9303(4) 0.0838(19) Uani 1 1 d . A .
O6 O 0.6504(4) 0.1338(4) 1.0149(5) 0.106(2) Uani 1 1 d . A .
O7 O 0.5621(4) 0.1959(4) 1.0524(4) 0.089(2) Uani 1 1 d . A .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 O3 2.149(5) . ?
Yb1 O2 2.162(5) . ?
Yb1 O9' 2.317(12) . ?
Yb1 O7 2.379(7) . ?
Yb1 N1 2.425(7) . ?
Yb1 N3 2.432(7) . ?
Yb1 N2 2.474(6) . ?
Yb1 O5 2.551(6) . ?
Yb1 O9 2.56(3) . ?
Yb1 O10 2.739(13) . ?
Yb1 O10' 3.07(3) . ?
Rb1 O4 2.845(5) . ?
Rb1 O4 2.845(5) 2_656 ?
Rb1 O2 2.927(5) . ?
Rb1 O2 2.927(5) 2_656 ?
Rb1 O1 3.171(7) . ?
Rb1 O1 3.171(7) 2_656 ?
Rb1 O3 3.181(5) . ?
Rb1 O3 3.181(5) 2_656 ?
Rb1 O5 3.267(7) 2_656 ?
Rb1 O5 3.267(7) . ?
Rb1 C23 3.563(9) 2_656 ?
Rb1 C2 3.565(8) 2_656 ?
C1 O1 1.410(9) . ?
C2 O2 1.306(8) . ?
C2 C7 1.390(10) . ?
C2 C3 1.427(9) . ?
C3 C4 1.372(10) . ?
C3 O1 1.386(9) . ?
C4 C5 1.376(11) . ?
C5 C6 1.359(11) . ?
C6 C7 1.406(10) . ?
C7 C8 1.461(10) . ?
C8 N1 1.276(9) . ?
C9 N1 1.472(9) . ?
C9 C10 1.495(12) . ?
C10 N2 1.342(10) . ?
C10 C11 1.387(11) . ?
C11 C12 1.392(14) . ?
C12 C13 1.356(13) . ?
C13 C14 1.389(12) . ?
C14 N2 1.319(10) . ?
C14 C15 1.489(12) . ?
C15 N3 1.489(10) . ?
C16 N3 1.274(9) . ?
C16 C17 1.441(11) . ?
C17 C22 1.412(10) . ?
C17 C18 1.424(11) . ?
C18 C19 1.335(11) . ?
C19 C20 1.396(10) . ?
C20 C21 1.355(10) . ?
C21 O4 1.378(8) . ?
C21 C22 1.424(10) . ?
C22 O3 1.308(8) . ?
C23 O4 1.434(8) . ?
N4 O6 1.213(9) . ?
N4 O5 1.247(9) . ?
N4 O7 1.276(10) . ?
N5 O9 1.245(9) . ?
N5 O10 1.252(9) . ?
N5 O8 1.255(9) . ?
N5' O9' 1.245(8) . ?
N5' O8' 1.249(9) . ?
N5' O10' 1.254(9) . ?

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
O3 Yb1 O2 86.50(19) . . ?
O3 Yb1 O9' 113.5(3) . . ?
O2 Yb1 O9' 80.7(5) . . ?
O3 Yb1 O7 86.8(2) . . ?
O2 Yb1 O7 128.7(2) . . ?
O9' Yb1 O7 146.7(4) . . ?
O3 Yb1 N1 151.1(2) . . ?
O2 Yb1 N1 75.7(2) . . ?
O9' Yb1 N1 86.3(4) . . ?
O7 Yb1 N1 86.8(2) . . ?
O3 Yb1 N3 75.1(2) . . ?
O2 Yb1 N3 145.2(2) . . ?
O9' Yb1 N3 80.1(5) . . ?
O7 Yb1 N3 80.2(2) . . ?
N1 Yb1 N3 131.2(2) . . ?
O3 Yb1 N2 138.2(2) . . ?
O2 Yb1 N2 134.4(2) . . ?
O9' Yb1 N2 73.5(4) . . ?
O7 Yb1 N2 73.9(2) . . ?
N1 Yb1 N2 65.9(2) . . ?
N3 Yb1 N2 65.4(2) . . ?
O3 Yb1 O5 77.8(2) . . ?
O2 Yb1 O5 77.6(2) . . ?
O9' Yb1 O5 154.9(5) . . ?
O7 Yb1 O5 51.3(2) . . ?
N1 Yb1 O5 76.3(2) . . ?
N3 Yb1 O5 125.1(2) . . ?
N2 Yb1 O5 114.1(2) . . ?
O3 Yb1 O9 119.8(4) . . ?
O2 Yb1 O9 83(2) . . ?
O9' Yb1 O9 6.4(5) . . ?
O7 Yb1 O9 142.0(16) . . ?
N1 Yb1 O9 80.8(9) . . ?
N3 Yb1 O9 81(2) . . ?
N2 Yb1 O9 68.2(15) . . ?
O5 Yb1 O9 152.8(18) . . ?
O3 Yb1 O10 71.8(3) . . ?
O2 Yb1 O10 74.3(3) . . ?
O9' Yb1 O10 41.8(4) . . ?
O7 Yb1 O10 148.3(3) . . ?
N1 Yb1 O10 123.0(3) . . ?
N3 Yb1 O10 72.0(3) . . ?
N2 Yb1 O10 106.6(3) . . ?
O5 Yb1 O10 139.4(3) . . ?
O9 Yb1 O10 48.2(3) . . ?
O3 Yb1 O10' 70.5(4) . . ?
O2 Yb1 O10' 66.0(11) . . ?
O9' Yb1 O10' 44.6(4) . . ?
O7 Yb1 O10' 153.0(9) . . ?
N1 Yb1 O10' 120.1(8) . . ?
N3 Yb1 O10' 79.9(11) . . ?
N2 Yb1 O10' 113.3(6) . . ?
O5 Yb1 O10' 132.3(7) . . ?
O9 Yb1 O10' 51.0(7) . . ?
O10 Yb1 O10' 8.5(11) . . ?
O4 Rb1 O4 66.4(2) . 2_656 ?
O4 Rb1 O2 107.97(15) . . ?
O4 Rb1 O2 94.40(16) 2_656 . ?
O4 Rb1 O2 94.40(16) . 2_656 ?
O4 Rb1 O2 107.97(15) 2_656 2_656 ?
O2 Rb1 O2 153.4(2) . 2_656 ?
O4 Rb1 O1 122.41(17) . . ?
O4 Rb1 O1 63.81(16) 2_656 . ?
O2 Rb1 O1 51.12(15) . . ?
O2 Rb1 O1 126.99(15) 2_656 . ?
O4 Rb1 O1 63.81(16) . 2_656 ?
O4 Rb1 O1 122.41(17) 2_656 2_656 ?
O2 Rb1 O1 126.99(15) . 2_656 ?
O2 Rb1 O1 51.12(15) 2_656 2_656 ?
O1 Rb1 O1 173.5(2) . 2_656 ?
O4 Rb1 O3 51.36(14) . . ?
O4 Rb1 O3 81.80(14) 2_656 . ?
O2 Rb1 O3 57.65(14) . . ?
O2 Rb1 O3 138.25(14) 2_656 . ?
O1 Rb1 O3 94.12(14) . . ?
O1 Rb1 O3 88.86(13) 2_656 . ?
O4 Rb1 O3 81.80(14) . 2_656 ?
O4 Rb1 O3 51.36(14) 2_656 2_656 ?
O2 Rb1 O3 138.25(14) . 2_656 ?
O2 Rb1 O3 57.65(14) 2_656 2_656 ?
O1 Rb1 O3 88.86(13) . 2_656 ?
O1 Rb1 O3 94.12(14) 2_656 2_656 ?
O3 Rb1 O3 125.43(19) . 2_656 ?
O4 Rb1 O5 135.65(14) . 2_656 ?
O4 Rb1 O5 89.37(16) 2_656 2_656 ?
O2 Rb1 O5 110.58(16) . 2_656 ?
O2 Rb1 O5 56.96(16) 2_656 2_656 ?
O1 Rb1 O5 70.31(15) . 2_656 ?
O1 Rb1 O5 106.82(15) 2_656 2_656 ?
O3 Rb1 O5 164.32(15) . 2_656 ?
O3 Rb1 O5 54.76(15) 2_656 2_656 ?
O4 Rb1 O5 89.37(16) . . ?
O4 Rb1 O5 135.65(14) 2_656 . ?
O2 Rb1 O5 56.96(16) . . ?
O2 Rb1 O5 110.58(16) 2_656 . ?
O1 Rb1 O5 106.82(15) . . ?
O1 Rb1 O5 70.31(15) 2_656 . ?
O3 Rb1 O5 54.76(15) . . ?
O3 Rb1 O5 164.32(15) 2_656 . ?
O5 Rb1 O5 130.2(2) 2_656 . ?
O4 Rb1 C23 63.2(2) . 2_656 ?
O4 Rb1 C23 22.48(15) 2_656 2_656 ?
O2 Rb1 C23 75.18(19) . 2_656 ?
O2 Rb1 C23 129.34(17) 2_656 2_656 ?
O1 Rb1 C23 59.6(2) . 2_656 ?
O1 Rb1 C23 126.8(2) 2_656 2_656 ?
O3 Rb1 C23 61.72(16) . 2_656 ?
O3 Rb1 C23 73.78(16) 2_656 2_656 ?
O5 Rb1 C23 106.83(18) 2_656 2_656 ?
O5 Rb1 C23 113.68(17) . 2_656 ?
O4 Rb1 C2 98.05(18) . 2_656 ?
O4 Rb1 C2 127.76(16) 2_656 2_656 ?
O2 Rb1 C2 136.95(17) . 2_656 ?
O2 Rb1 C2 20.32(13) 2_656 2_656 ?
O1 Rb1 C2 135.23(16) . 2_656 ?
O1 Rb1 C2 40.47(16) 2_656 2_656 ?
O3 Rb1 C2 128.38(15) . 2_656 ?
O3 Rb1 C2 77.97(15) 2_656 2_656 ?
O5 Rb1 C2 67.15(17) 2_656 2_656 ?
O5 Rb1 C2 90.57(17) . 2_656 ?
C23 Rb1 C2 147.9(2) 2_656 2_656 ?
O2 C2 C7 123.9(7) . . ?
O2 C2 C3 119.7(7) . . ?
C7 C2 C3 116.4(7) . . ?
C4 C3 O1 124.9(7) . . ?
C4 C3 C2 121.1(8) . . ?
O1 C3 C2 114.0(7) . . ?
C3 C4 C5 121.2(8) . . ?
C6 C5 C4 118.9(8) . . ?
C5 C6 C7 121.4(8) . . ?
C2 C7 C6 120.8(7) . . ?
C2 C7 C8 122.8(7) . . ?
C6 C7 C8 116.4(8) . . ?
N1 C8 C7 127.4(8) . . ?
N1 C9 C10 109.4(7) . . ?
N2 C10 C11 122.6(9) . . ?
N2 C10 C9 116.3(7) . . ?
C11 C10 C9 121.1(9) . . ?
C10 C11 C12 117.3(10) . . ?
C13 C12 C11 120.2(9) . . ?
C12 C13 C14 118.6(10) . . ?
N2 C14 C13 122.6(9) . . ?
N2 C14 C15 115.5(7) . . ?
C13 C14 C15 121.8(9) . . ?
N3 C15 C14 110.9(7) . . ?
N3 C16 C17 126.6(7) . . ?
C22 C17 C18 119.4(8) . . ?
C22 C17 C16 122.6(7) . . ?
C18 C17 C16 117.9(7) . . ?
C19 C18 C17 122.6(8) . . ?
C18 C19 C20 118.1(8) . . ?
C21 C20 C19 121.9(8) . . ?
C20 C21 O4 125.1(7) . . ?
C20 C21 C22 121.6(7) . . ?
O4 C21 C22 113.3(6) . . ?
O3 C22 C17 123.7(7) . . ?
O3 C22 C21 120.1(6) . . ?
C17 C22 C21 116.2(7) . . ?
C8 N1 C9 115.7(7) . . ?
C8 N1 Yb1 128.4(5) . . ?
C9 N1 Yb1 115.5(5) . . ?
C14 N2 C10 118.6(7) . . ?
C14 N2 Yb1 121.5(6) . . ?
C10 N2 Yb1 119.7(5) . . ?
C16 N3 C15 116.6(7) . . ?
C16 N3 Yb1 128.2(6) . . ?
C15 N3 Yb1 115.0(5) . . ?
O6 N4 O5 122.4(10) . . ?
O6 N4 O7 121.6(9) . . ?
O5 N4 O7 116.0(9) . . ?
C3 O1 C1 117.6(6) . . ?
C3 O1 Rb1 101.9(4) . . ?
C1 O1 Rb1 128.2(5) . . ?
C2 O2 Yb1 139.0(4) . . ?
C2 O2 Rb1 108.6(4) . . ?
Yb1 O2 Rb1 106.1(2) . . ?
C22 O3 Yb1 137.5(4) . . ?
C22 O3 Rb1 119.9(4) . . ?
Yb1 O3 Rb1 98.42(18) . . ?
C21 O4 C23 117.7(6) . . ?
C21 O4 Rb1 133.7(4) . . ?
C23 O4 Rb1 108.2(4) . . ?
O9 N5 O10 120.6(10) . . ?
O9 N5 O8 120.9(10) . . ?
O10 N5 O8 118.5(10) . . ?
O9' N5' O8' 120.2(10) . . ?
O9' N5' O10' 119.9(10) . . ?
O8' N5' O10' 119.5(10) . . ?
N5 O9 Yb1 99.7(13) . . ?
N5' O9' Yb1 116.7(9) . . ?
N5 O10 Yb1 90.9(10) . . ?
N5' O10' Yb1 78.7(9) . . ?
N4 O5 Yb1 92.6(6) . . ?
N4 O5 Rb1 144.3(5) . . ?
Yb1 O5 Rb1 88.48(19) . . ?
N4 O7 Yb1 100.1(6) . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        25.04
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         0.877
_refine_diff_density_min         -0.844
_refine_diff_density_rms         0.114
