# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1501198'
_audit_update_record             
;
2016-08-27 deposited with the CCDC.
2017-01-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C55 H23 Co F28 N4 O9 P3 Yb'
_chemical_formula_weight         1740.65

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   24.588(5)
_cell_length_b                   10.147(2)
_cell_length_c                   24.582(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.11(3)
_cell_angle_gamma                90.00
_cell_volume                     6129(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    23454
_cell_measurement_theta_min      3.1940
_cell_measurement_theta_max      30.1190

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.201
_exptl_crystal_size_mid          0.178
_exptl_crystal_size_min          0.105
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3388
_exptl_absorpt_coefficient_mu    2.010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.99612
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3914
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            50103
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_sigmaI/netI    0.0249
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.75
_diffrn_reflns_theta_max         27.48
_reflns_number_total             7019
_reflns_number_gt                6490
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0315P)²+19.5215P] 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         7019
_refine_ls_number_parameters     479
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0286
_refine_ls_wR_factor_ref         0.0719
_refine_ls_wR_factor_gt          0.0681
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_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 0.0000 0.514004(14) 0.2500 0.01877(5) Uani 1 2 d S . .
Co1B Co -0.0042(9) 0.10303(7) 0.2462(9) 0.0411(19) Uani 0.50 1 d P . .
P1 P 0.05338(9) 0.22622(17) 0.30534(9) 0.0521(5) Uani 0.50 1 d P . 1
O1 O 0.04829(18) 0.3737(4) 0.3018(2) 0.0379(11) Uani 0.50 1 d P A 1
O2 O 0.06262(16) 0.3693(4) 0.22869(18) 0.0310(9) Uani 0.50 1 d P . 2
P2 P 0.06767(8) 0.22327(16) 0.22995(9) 0.0461(5) Uani 0.50 1 d P . 2
O3 O -0.0164(2) 0.3651(4) 0.31441(19) 0.0486(14) Uani 0.50 1 d P . 3
P3 P -0.01767(9) 0.21635(15) 0.31734(8) 0.0452(5) Uani 0.50 1 d P . 3
F4 F 0.19749(8) 0.7095(2) 0.35663(8) 0.0508(6) Uani 1 1 d . . .
F3 F 0.22107(8) 0.7049(3) 0.24313(8) 0.0550(6) Uani 1 1 d . A .
F2 F 0.10058(8) 0.6221(2) 0.05214(7) 0.0496(5) Uani 1 1 d . A .
F1 F -0.01471(8) 0.6371(2) 0.02527(7) 0.0448(5) Uani 1 1 d . . .
F5 F 0.20113(9) 0.4465(2) 0.16958(11) 0.0580(6) Uani 1 1 d . A .
F6 F 0.29153(9) 0.4823(2) 0.11247(13) 0.0651(7) Uani 1 1 d . . .
F7 F 0.30694(9) 0.7095(3) 0.05835(10) 0.0612(6) Uani 1 1 d . A .
F8 F 0.23246(10) 0.9052(3) 0.06331(12) 0.0790(9) Uani 1 1 d . . .
F9 F 0.14169(9) 0.8703(2) 0.11934(11) 0.0638(7) Uani 1 1 d . A .
F10 F 0.07845(10) 0.9027(2) 0.41875(9) 0.0581(6) Uani 1 1 d . . .
F11 F 0.14172(13) 0.9667(3) 0.50583(11) 0.0779(8) Uani 1 1 d . A .
F13 F 0.20743(11) 0.5330(3) 0.51480(10) 0.0752(8) Uani 1 1 d . A .
F14 F 0.14387(10) 0.4687(2) 0.42686(9) 0.0587(6) Uani 1 1 d . . .
F12 F 0.20849(9) 0.7821(3) 0.55298(9) 0.0736(8) Uani 1 1 d . . .
N1 N 0.08234(9) 0.6308(2) 0.26961(9) 0.0211(4) Uani 1 1 d . A .
N2 N 0.01739(9) 0.6297(2) 0.16843(9) 0.0215(4) Uani 1 1 d . A .
C9 C 0.10452(11) 0.6532(3) 0.32087(11) 0.0226(5) Uani 1 1 d . . .
C8 C 0.16166(12) 0.6827(3) 0.31605(13) 0.0324(6) Uani 1 1 d . A .
C7 C 0.17240(12) 0.6791(3) 0.26361(13) 0.0325(7) Uani 1 1 d . . .
C6 C 0.12295(11) 0.6467(3) 0.23349(11) 0.0236(5) Uani 1 1 d . A .
C5 C 0.11740(11) 0.6392(3) 0.17648(11) 0.0249(5) Uani 1 1 d . . .
C4 C 0.06796(11) 0.6295(3) 0.14672(11) 0.0239(5) Uani 1 1 d . A .
C3 C 0.06110(12) 0.6281(3) 0.08817(12) 0.0321(6) Uani 1 1 d . . .
C2 C 0.00788(12) 0.6345(3) 0.07583(11) 0.0298(6) Uani 1 1 d . A .
C1 C -0.02031(11) 0.6374(3) 0.12588(11) 0.0229(5) Uani 1 1 d . . .
C10 C 0.07645(11) 0.6523(3) 0.36941(11) 0.0228(5) Uani 1 1 d . . .
C11 C 0.16804(11) 0.6558(3) 0.14516(11) 0.0271(6) Uani 1 1 d . A .
C12 C 0.20742(13) 0.5601(3) 0.14289(13) 0.0338(7) Uani 1 1 d . . .
C13 C 0.25452(12) 0.5773(3) 0.11400(15) 0.0388(7) Uani 1 1 d . A .
C14 C 0.26219(13) 0.6929(4) 0.08697(14) 0.0412(8) Uani 1 1 d . . .
C15 C 0.22456(14) 0.7916(4) 0.08908(15) 0.0445(8) Uani 1 1 d . A .
C16 C 0.17801(13) 0.7725(3) 0.11794(14) 0.0380(7) Uani 1 1 d . . .
C17 C 0.10939(11) 0.6836(3) 0.42033(12) 0.0277(6) Uani 1 1 d . . .
C18 C 0.10991(13) 0.8095(3) 0.44191(13) 0.0361(7) Uani 1 1 d . A .
C19 C 0.14250(15) 0.8439(4) 0.48663(14) 0.0468(9) Uani 1 1 d . . .
C20 C 0.17547(14) 0.7501(5) 0.51041(14) 0.0485(10) Uani 1 1 d . A .
C21 C 0.17523(14) 0.6244(4) 0.49103(13) 0.0464(9) Uani 1 1 d . . .
C22 C 0.14242(13) 0.5919(3) 0.44613(13) 0.0371(7) Uani 1 1 d . A .
C23 C 0.0499(2) 0.2403(5) 0.4094(2) 0.0819(15) Uani 1 1 d . . .
H23A H 0.0832 0.1962 0.4227 0.123 Uiso 1 1 calc R . .
H23B H 0.0231 0.2397 0.4380 0.123 Uiso 1 1 calc R . .
H23C H 0.0582 0.3316 0.3996 0.123 Uiso 1 1 calc R . .
C24 C 0.1555(3) 0.2714(10) 0.2899(3) 0.138(4) Uani 1 1 d . . .
H24A H 0.1816 0.2402 0.3181 0.208 Uiso 1 1 calc R . .
H24B H 0.1435 0.3607 0.2989 0.208 Uiso 1 1 calc R . .
H24C H 0.1729 0.2724 0.2547 0.208 Uiso 1 1 calc R . .
C25 C 0.1071(3) 0.2298(7) 0.1315(2) 0.102(2) Uani 1 1 d . A .
H25A H 0.0989 0.1820 0.0976 0.153 Uiso 1 1 calc R . .
H25B H 0.1464 0.2280 0.1396 0.153 Uiso 1 1 calc R . .
H25C H 0.0949 0.3214 0.1276 0.153 Uiso 1 1 calc R . .
O4 O 0.0830(3) 0.1763(4) 0.1695(3) 0.213(4) Uani 1 1 d . . .
O5 O 0.0300(3) 0.1785(3) 0.36667(17) 0.153(3) Uani 1 1 d . . .
O6 O 0.1140(2) 0.1938(5) 0.2873(4) 0.217(4) Uani 1 1 d . . .
C26 C 0.0153(4) -0.0684(6) 0.2916(3) 0.0750(15) Uani 0.50 1 d PG . .
H26B H 0.0073 -0.1478 0.2724 0.090 Uiso 0.50 1 calc PR . .
C27 C -0.0415(4) -0.0645(7) 0.2760(4) 0.0750(15) Uani 0.50 1 d PG . .
H27A H -0.0739 -0.0613 0.2959 0.090 Uiso 0.50 1 calc PR . .
C28 C -0.0459(3) -0.0604(7) 0.2180(4) 0.0750(15) Uani 0.50 1 d PG . .
H28A H -0.0771 -0.0469 0.1947 0.090 Uiso 0.50 1 calc PR . .
C29 C 0.0080(4) -0.0618(7) 0.1976(3) 0.0750(15) Uani 0.50 1 d PG . .
H29A H 0.0113 -0.0503 0.1595 0.090 Uiso 0.50 1 calc PR . .
C26A C 0.0459(3) -0.0668(7) 0.2431(4) 0.0750(15) Uani 0.50 1 d PG . .
H26A H 0.0800 -0.1097 0.2406 0.090 Uiso 0.50 1 calc PR . .


_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 2.205(4) 2 ?
Yb1 O2 2.205(4) . ?
Yb1 O1 2.224(4) 2 ?
Yb1 O1 2.224(4) . ?
Yb1 O3 2.236(4) 2 ?
Yb1 O3 2.236(4) . ?
Yb1 N2 2.376(2) 2 ?
Yb1 N2 2.376(2) . ?
Yb1 N1 2.380(2) 2 ?
Yb1 N1 2.380(2) . ?
Yb1 P2 3.4314(16) 2 ?
Yb1 P2 3.4314(16) . ?
Co1B Co1B 0.27(4) 2 ?
Co1B C26 1.985(12) 2 ?
Co1B P3 2.03(2) 2 ?
Co1B C26A 2.027(15) 2 ?
Co1B C28 2.057(13) . ?
Co1B P2 2.08(2) 2 ?
Co1B C29 2.083(16) . ?
Co1B C27 2.078(17) . ?
Co1B C26 2.112(12) . ?
Co1B P1 2.125(14) 2 ?
Co1B C26A 2.120(16) . ?
Co1B P3 2.13(2) . ?
P1 O1 1.504(4) . ?
P1 O6 1.606(7) . ?
P1 O5 1.703(6) . ?
P1 Co1B 2.125(14) 2 ?
O2 P2 1.487(4) . ?
P2 O4 1.618(6) . ?
P2 O6 1.805(8) . ?
P2 Co1B 2.08(2) 2 ?
O3 P3 1.511(4) . ?
P3 O4 1.699(7) 2 ?
P3 O5 1.700(6) . ?
P3 Co1B 2.03(2) 2 ?
F4 C8 1.334(3) . ?
F3 C7 1.341(3) . ?
F2 C3 1.339(3) . ?
F1 C2 1.343(3) . ?
F5 C12 1.339(4) . ?
F6 C13 1.327(4) . ?
F7 C14 1.338(4) . ?
F8 C15 1.333(4) . ?
F9 C16 1.337(4) . ?
F10 C18 1.336(4) . ?
F11 C19 1.334(4) . ?
F13 C21 1.340(4) . ?
F14 C22 1.338(4) . ?
F12 C20 1.340(4) . ?
N1 C6 1.370(3) . ?
N1 C9 1.374(3) . ?
N2 C4 1.371(3) . ?
N2 C1 1.374(3) . ?
C9 C10 1.400(4) . ?
C9 C8 1.446(4) . ?
C8 C7 1.326(4) . ?
C7 C6 1.438(4) . ?
C6 C5 1.405(4) . ?
C5 C4 1.399(4) . ?
C5 C11 1.497(4) . ?
C4 C3 1.443(4) . ?
C3 C2 1.334(4) . ?
C2 C1 1.435(4) . ?
C1 C10 1.398(4) 2 ?
C10 C1 1.398(4) 2 ?
C10 C17 1.500(4) . ?
C11 C12 1.374(4) . ?
C11 C16 1.386(4) . ?
C12 C13 1.392(4) . ?
C13 C14 1.364(5) . ?
C14 C15 1.366(5) . ?
C15 C16 1.382(5) . ?
C17 C22 1.375(4) . ?
C17 C18 1.383(4) . ?
C18 C19 1.381(5) . ?
C19 C20 1.367(6) . ?
C20 C21 1.362(6) . ?
C21 C22 1.383(5) . ?
C23 O5 1.303(6) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 O6 1.287(9) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 O4 1.248(7) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
O4 P3 1.699(7) 2 ?
C26 C29 0.64(2) 2 ?
C26 C28 0.80(2) 2 ?
C26 C26A 1.432(4) . ?
C26 C27 1.433(4) . ?
C26 C26A 1.701(18) 2 ?
C26 C27 1.805(15) 2 ?
C26 Co1B 1.985(12) 2 ?
C26 H26B 0.9500 . ?
C27 C26A 0.480(19) 2 ?
C27 C29 1.03(2) 2 ?
C27 C28 1.428(4) . ?
C27 C26 1.805(11) 2 ?
C27 Co1B 2.119(17) 2 ?
C27 H27A 0.9500 . ?
C28 C26 0.802(12) 2 ?
C28 C26A 0.959(18) 2 ?
C28 C29 1.435(4) . ?
C28 Co1B 2.228(14) 2 ?
C28 H28A 0.9500 . ?
C29 C26 0.644(12) 2 ?
C29 C27 1.03(2) 2 ?
C29 C26A 1.428(4) . ?
C29 C26A 2.006(13) 2 ?
C29 Co1B 2.174(16) 2 ?
C29 H29A 0.9500 . ?
C26A C27 0.48(2) 2 ?
C26A C28 0.96(2) 2 ?
C26A C26 1.701(15) 2 ?
C26A C29 2.006(16) 2 ?
C26A Co1B 2.027(15) 2 ?
C26A H26A 0.9500 . ?

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 96.5(2) 2 . ?
O2 Yb1 O1 49.21(18) 2 2 ?
O2 Yb1 O1 78.49(15) . 2 ?
O2 Yb1 O1 78.49(15) 2 . ?
O2 Yb1 O1 49.21(18) . . ?
O1 Yb1 O1 100.4(2) 2 . ?
O2 Yb1 O3 82.18(17) 2 2 ?
O2 Yb1 O3 40.16(19) . 2 ?
O1 Yb1 O3 43.01(19) 2 2 ?
O1 Yb1 O3 82.30(18) . 2 ?
O2 Yb1 O3 40.16(19) 2 . ?
O2 Yb1 O3 82.18(17) . . ?
O1 Yb1 O3 82.30(18) 2 . ?
O1 Yb1 O3 43.00(19) . . ?
O3 Yb1 O3 95.0(2) 2 . ?
O2 Yb1 N2 88.84(13) 2 2 ?
O2 Yb1 N2 132.74(13) . 2 ?
O1 Yb1 N2 133.67(14) 2 2 ?
O1 Yb1 N2 86.69(14) . 2 ?
O3 Yb1 N2 166.98(12) 2 2 ?
O3 Yb1 N2 72.16(12) . 2 ?
O2 Yb1 N2 132.74(13) 2 . ?
O2 Yb1 N2 88.84(13) . . ?
O1 Yb1 N2 86.69(14) 2 . ?
O1 Yb1 N2 133.67(14) . . ?
O3 Yb1 N2 72.16(12) 2 . ?
O3 Yb1 N2 166.98(12) . . ?
N2 Yb1 N2 120.77(10) 2 . ?
O2 Yb1 N1 77.49(12) 2 2 ?
O2 Yb1 N1 151.62(13) . 2 ?
O1 Yb1 N1 76.73(12) 2 2 ?
O1 Yb1 N1 150.11(14) . 2 ?
O3 Yb1 N1 111.56(17) 2 2 ?
O3 Yb1 N1 107.78(16) . 2 ?
N2 Yb1 N1 75.33(8) 2 2 ?
N2 Yb1 N1 76.19(8) . 2 ?
O2 Yb1 N1 151.62(13) 2 . ?
O2 Yb1 N1 77.49(12) . . ?
O1 Yb1 N1 150.11(14) 2 . ?
O1 Yb1 N1 76.73(12) . . ?
O3 Yb1 N1 107.78(16) 2 . ?
O3 Yb1 N1 111.56(17) . . ?
N2 Yb1 N1 76.19(8) 2 . ?
N2 Yb1 N1 75.33(8) . . ?
N1 Yb1 N1 120.29(10) 2 . ?
O2 Yb1 P2 17.57(11) 2 2 ?
O2 Yb1 P2 78.93(11) . 2 ?
O1 Yb1 P2 43.97(13) 2 2 ?
O1 Yb1 P2 67.60(11) . 2 ?
O3 Yb1 P2 67.79(12) 2 2 ?
O3 Yb1 P2 38.39(15) . 2 ?
N2 Yb1 P2 101.56(6) 2 2 ?
N2 Yb1 P2 130.49(7) . 2 ?
N1 Yb1 P2 92.50(6) 2 2 ?
N1 Yb1 P2 144.33(7) . 2 ?
O2 Yb1 P2 78.93(11) 2 . ?
O2 Yb1 P2 17.57(11) . . ?
O1 Yb1 P2 67.60(11) 2 . ?
O1 Yb1 P2 43.97(13) . . ?
O3 Yb1 P2 38.39(14) 2 . ?
O3 Yb1 P2 67.79(12) . . ?
N2 Yb1 P2 130.49(6) 2 . ?
N2 Yb1 P2 101.56(6) . . ?
N1 Yb1 P2 144.33(7) 2 . ?
N1 Yb1 P2 92.50(6) . . ?
P2 Yb1 P2 61.43(7) 2 . ?
Co1B Co1B C26 114(3) 2 2 ?
Co1B Co1B P3 108(9) 2 2 ?
C26 Co1B P3 100.0(10) 2 2 ?
Co1B Co1B C26A 106(5) 2 2 ?
C26 Co1B C26A 41.8(4) 2 2 ?
P3 Co1B C26A 137.1(9) 2 2 ?
Co1B Co1B C28 125.8(13) 2 . ?
C26 Co1B C28 22.8(3) 2 . ?
P3 Co1B C28 110.0(9) 2 . ?
C26A Co1B C28 27.1(5) 2 . ?
Co1B Co1B P2 111(9) 2 2 ?
C26 Co1B P2 123.6(11) 2 2 ?
P3 Co1B P2 96.2(4) 2 2 ?
C26A Co1B P2 94.2(10) 2 2 ?
C28 Co1B P2 101.4(10) . 2 ?
Co1B Co1B C29 106(6) 2 . ?
C26 Co1B C29 18.0(4) 2 . ?
P3 Co1B C29 88.1(9) 2 . ?
C26A Co1B C29 58.4(4) 2 . ?
C28 Co1B C29 40.6(2) . . ?
P2 Co1B C29 139.2(10) 2 . ?
Co1B Co1B C27 95(6) 2 . ?
C26 Co1B C27 52.7(4) 2 . ?
P3 Co1B C27 150.4(9) 2 . ?
C26A Co1B C27 13.3(6) 2 . ?
C28 Co1B C27 40.4(3) . . ?
P2 Co1B C27 92.0(10) 2 . ?
C29 Co1B C27 67.7(2) . . ?
Co1B Co1B C26 59(3) 2 . ?
C26 Co1B C26 63.2(4) 2 . ?
P3 Co1B C26 144.3(13) 2 . ?
C26A Co1B C26 48.5(5) 2 . ?
C28 Co1B C26 67.3(2) . . ?
P2 Co1B C26 119.4(12) 2 . ?
C29 Co1B C26 66.8(2) . . ?
C27 Co1B C26 40.0(2) . . ?
Co1B Co1B P1 143.8(13) 2 2 ?
C26 Co1B P1 99.9(8) 2 2 ?
P3 Co1B P1 50.9(4) 2 2 ?
C26A Co1B P1 107.4(9) 2 2 ?
C28 Co1B P1 90.4(7) . 2 ?
P2 Co1B P1 53.7(4) 2 2 ?
C29 Co1B P1 102.8(8) . 2 ?
C27 Co1B P1 116.3(10) . 2 ?
C26 Co1B P1 155.8(10) . 2 ?
Co1B Co1B C26A 67(5) 2 . ?
C26 Co1B C26A 48.8(5) 2 . ?
P3 Co1B C26A 105.2(12) 2 . ?
C26A Co1B C26A 67.1(3) 2 . ?
C28 Co1B C26A 67.4(3) . . ?
P2 Co1B C26A 158.2(11) 2 . ?
C29 Co1B C26A 39.7(3) . . ?
C27 Co1B C26A 67.2(2) . . ?
C26 Co1B C26A 39.6(2) . . ?
P1 Co1B C26A 140.8(11) 2 . ?
Co1B Co1B P3 65(9) 2 . ?
C26 Co1B P3 146.5(12) 2 . ?
P3 Co1B P3 112.34(13) 2 . ?
C26A Co1B P3 104.9(11) 2 . ?
C28 Co1B P3 128.4(13) . . ?
P2 Co1B P3 46.5(5) 2 . ?
C29 Co1B P3 159.1(8) . . ?
C27 Co1B P3 93.8(10) . . ?
C26 Co1B P3 92.8(8) . . ?
P1 Co1B P3 94.0(6) 2 . ?
C26A Co1B P3 125.2(9) . . ?
O1 P1 O6 105.3(3) . . ?
O1 P1 O5 107.7(3) . . ?
O6 P1 O5 122.2(4) . . ?
O1 P1 Co1B 120.4(3) . 2 ?
O6 P1 Co1B 103.2(7) . 2 ?
O5 P1 Co1B 99.0(7) . 2 ?
O1 P1 Co1B 116.5(3) . . ?
O6 P1 Co1B 105.3(7) . . ?
O5 P1 Co1B 100.5(6) . . ?
Co1B P1 Co1B 4.0(5) 2 . ?
O1 P1 Yb1 26.84(17) . . ?
O6 P1 Yb1 114.0(3) . . ?
O5 P1 Yb1 116.92(19) . . ?
Co1B P1 Yb1 93.6(3) 2 . ?
Co1B P1 Yb1 89.7(2) . . ?
P1 O1 Yb1 135.4(3) . . ?
P2 O2 Yb1 135.8(3) . . ?
O2 P2 O4 107.2(3) . . ?
O2 P2 O6 103.4(3) . . ?
O4 P2 O6 120.5(4) . . ?
O2 P2 Co1B 121.8(4) . 2 ?
O4 P2 Co1B 106.8(6) . 2 ?
O6 P2 Co1B 98.1(5) . 2 ?
O2 P2 Co1B 119.4(4) . . ?
O4 P2 Co1B 102.6(6) . . ?
O6 P2 Co1B 104.8(5) . . ?
Co1B P2 Co1B 6.7(9) 2 . ?
O2 P2 Yb1 26.60(16) . . ?
O4 P2 Yb1 121.0(2) . . ?
O6 P2 Yb1 109.0(2) . . ?
Co1B P2 Yb1 95.2(4) 2 . ?
Co1B P2 Yb1 93.1(4) . . ?
P3 O3 Yb1 135.5(3) . . ?
O3 P3 O4 105.6(3) . 2 ?
O3 P3 O5 104.2(3) . . ?
O4 P3 O5 116.2(4) 2 . ?
O3 P3 Co1B 121.5(4) . 2 ?
O4 P3 Co1B 106.9(6) 2 2 ?
O5 P3 Co1B 103.0(5) . 2 ?
O3 P3 Co1B 119.7(4) . . ?
O4 P3 Co1B 101.8(6) 2 . ?
O5 P3 Co1B 109.9(5) . . ?
Co1B P3 Co1B 7.0(10) 2 . ?
O3 P3 Yb1 26.78(17) . . ?
O4 P3 Yb1 115.7(2) 2 . ?
O5 P3 Yb1 116.2(2) . . ?
Co1B P3 Yb1 94.9(4) 2 . ?
Co1B P3 Yb1 93.0(3) . . ?
C6 N1 C9 107.5(2) . . ?
C6 N1 Yb1 124.23(17) . . ?
C9 N1 Yb1 125.06(17) . . ?
C4 N2 C1 107.5(2) . . ?
C4 N2 Yb1 121.45(17) . . ?
C1 N2 Yb1 122.21(17) . . ?
N1 C9 C10 126.1(2) . . ?
N1 C9 C8 108.3(2) . . ?
C10 C9 C8 125.6(3) . . ?
C7 C8 F4 125.7(3) . . ?
C7 C8 C9 107.6(3) . . ?
F4 C8 C9 126.7(3) . . ?
C8 C7 F3 124.9(3) . . ?
C8 C7 C6 108.2(3) . . ?
F3 C7 C6 126.9(3) . . ?
N1 C6 C5 126.4(2) . . ?
N1 C6 C7 108.4(2) . . ?
C5 C6 C7 125.1(3) . . ?
C4 C5 C6 125.2(3) . . ?
C4 C5 C11 117.5(2) . . ?
C6 C5 C11 117.0(2) . . ?
N2 C4 C5 125.4(2) . . ?
N2 C4 C3 108.3(2) . . ?
C5 C4 C3 126.1(3) . . ?
C2 C3 F2 125.5(3) . . ?
C2 C3 C4 107.7(3) . . ?
F2 C3 C4 126.8(3) . . ?
C3 C2 F1 125.5(3) . . ?
C3 C2 C1 107.9(3) . . ?
F1 C2 C1 126.6(3) . . ?
N2 C1 C10 125.7(2) . 2 ?
N2 C1 C2 108.5(2) . . ?
C10 C1 C2 125.7(3) 2 . ?
C1 C10 C9 126.2(2) 2 . ?
C1 C10 C17 117.3(2) 2 . ?
C9 C10 C17 116.2(2) . . ?
C12 C11 C16 116.5(3) . . ?
C12 C11 C5 122.8(3) . . ?
C16 C11 C5 120.6(3) . . ?
F5 C12 C11 119.6(3) . . ?
F5 C12 C13 118.1(3) . . ?
C11 C12 C13 122.2(3) . . ?
F6 C13 C14 120.2(3) . . ?
F6 C13 C12 120.5(3) . . ?
C14 C13 C12 119.3(3) . . ?
F7 C14 C13 119.7(3) . . ?
F7 C14 C15 119.9(3) . . ?
C13 C14 C15 120.4(3) . . ?
F8 C15 C14 120.4(3) . . ?
F8 C15 C16 120.2(3) . . ?
C14 C15 C16 119.4(3) . . ?
F9 C16 C15 118.4(3) . . ?
F9 C16 C11 119.5(3) . . ?
C15 C16 C11 122.1(3) . . ?
C22 C17 C18 116.8(3) . . ?
C22 C17 C10 122.2(3) . . ?
C18 C17 C10 120.9(3) . . ?
F10 C18 C19 118.0(3) . . ?
F10 C18 C17 119.6(3) . . ?
C19 C18 C17 122.4(3) . . ?
F11 C19 C20 121.0(3) . . ?
F11 C19 C18 120.2(4) . . ?
C20 C19 C18 118.8(3) . . ?
F12 C20 C21 119.6(4) . . ?
F12 C20 C19 119.9(4) . . ?
C21 C20 C19 120.5(3) . . ?
F13 C21 C20 120.1(3) . . ?
F13 C21 C22 120.1(4) . . ?
C20 C21 C22 119.8(3) . . ?
F14 C22 C17 119.5(3) . . ?
F14 C22 C21 118.9(3) . . ?
C17 C22 C21 121.6(3) . . ?
O5 C23 H23A 109.5 . . ?
O5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O6 C24 H24A 109.5 . . ?
O6 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O6 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O4 C25 H25A 109.5 . . ?
O4 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O4 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C25 O4 P2 133.8(5) . . ?
C25 O4 P3 121.1(6) . 2 ?
P2 O4 P3 60.09(17) . 2 ?
C23 O5 P3 134.0(4) . . ?
C23 O5 P1 116.6(5) . . ?
P3 O5 P1 63.29(17) . . ?
C24 O6 P1 127.1(6) . . ?
C24 O6 P2 114.4(6) . . ?
P1 O6 P2 67.4(2) . . ?
C29 C26 C28 166.1(12) 2 2 ?
C29 C26 C26A 147.6(15) 2 . ?
C28 C26 C26A 39.4(13) 2 . ?
C29 C26 C27 40.0(16) 2 . ?
C28 C26 C27 146.7(13) 2 . ?
C26A C26 C27 108.3 . . ?
C29 C26 C26A 54.7(13) 2 2 ?
C28 C26 C26A 132.5(13) 2 2 ?
C26A C26 C26A 93.7(5) . 2 ?
C27 C26 C26A 14.7(5) . 2 ?
C29 C26 C27 136.9(17) 2 2 ?
C28 C26 C27 50.0(8) 2 2 ?
C26A C26 C27 10.8(6) . 2 ?
C27 C26 C27 97.5(6) . 2 ?
C26A C26 C27 83.0(6) 2 2 ?
C29 C26 Co1B 89.6(11) 2 2 ?
C28 C26 Co1B 83.6(10) 2 2 ?
C26A C26 Co1B 70.6(8) . 2 ?
C27 C26 Co1B 74.7(7) . 2 ?
C26A C26 Co1B 69.8(7) 2 2 ?
C27 C26 Co1B 66.3(8) 2 2 ?
C29 C26 Co1B 86.8(11) 2 . ?
C28 C26 Co1B 87.7(10) 2 . ?
C26A C26 Co1B 70.5(7) . . ?
C27 C26 Co1B 68.7(7) . . ?
C26A C26 Co1B 63.1(6) 2 . ?
C27 C26 Co1B 65.0(8) 2 . ?
Co1B C26 Co1B 6.8(9) 2 . ?
C29 C26 H26B 96.9 2 . ?
C28 C26 H26B 96.9 2 . ?
C26A C26 H26B 72.8 . . ?
C27 C26 H26B 73.2 . . ?
C26A C26 H26B 66.2 2 . ?
C27 C26 H26B 68.7 2 . ?
Co1B C26 H26B 119.3 2 . ?
Co1B C26 H26B 113.5 . . ?
C26A C27 C29 140(2) 2 2 ?
C26A C27 C28 9.7(14) 2 . ?
C29 C27 C28 131.2(9) 2 . ?
C26A C27 C26 116.2(16) 2 . ?
C29 C27 C26 23.8(9) 2 . ?
C28 C27 C26 107.8 . . ?
C26A C27 C26 33.9(13) 2 2 ?
C29 C27 C26 106.0(11) 2 2 ?
C28 C27 C26 25.5(4) . 2 ?
C26 C27 C26 82.4(4) . 2 ?
C26A C27 Co1B 77.3(10) 2 . ?
C29 C27 Co1B 81.3(8) 2 . ?
C28 C27 Co1B 69.0(6) . . ?
C26 C27 Co1B 71.3(6) . . ?
C26 C27 Co1B 61.0(6) 2 . ?
C26A C27 Co1B 83.6(11) 2 2 ?
C29 C27 Co1B 73.9(7) 2 2 ?
C28 C27 Co1B 75.0(6) . 2 ?
C26 C27 Co1B 64.6(6) . 2 ?
C26 C27 Co1B 64.5(6) 2 2 ?
Co1B C27 Co1B 7.4(9) . 2 ?
C26A C27 H27A 110.0 2 . ?
C29 C27 H27A 110.0 2 . ?
C28 C27 H27A 118.5 . . ?
C26 C27 H27A 133.7 . . ?
C26 C27 H27A 143.9 2 . ?
Co1B C27 H27A 122.9 . . ?
Co1B C27 H27A 124.6 2 . ?
C26 C28 C26A 108.6(14) 2 2 ?
C26 C28 C27 104.6(8) 2 . ?
C26A C28 C27 4.8(8) 2 . ?
C26 C28 C29 6.2(8) 2 . ?
C26A C28 C29 112.3(9) 2 . ?
C27 C28 C29 108.1 . . ?
C26 C28 Co1B 73.6(11) 2 . ?
C26A C28 Co1B 74.7(8) 2 . ?
C27 C28 Co1B 70.6(7) . . ?
C29 C28 Co1B 70.7(8) . . ?
C26 C28 Co1B 71.3(11) 2 2 ?
C26A C28 Co1B 71.0(8) 2 2 ?
C27 C28 Co1B 66.7(6) . 2 ?
C29 C28 Co1B 68.9(7) . 2 ?
Co1B C28 Co1B 5.7(7) . 2 ?
C26 C28 H28A 125.7 2 . ?
C26A C28 H28A 125.7 2 . ?
C27 C28 H28A 129.7 . . ?
C29 C28 H28A 121.8 . . ?
Co1B C28 H28A 117.9 . . ?
Co1B C28 H28A 123.6 2 . ?
C26 C29 C27 116.2(14) 2 2 ?
C26 C29 C26A 103.7(11) 2 . ?
C27 C29 C26A 12.5(8) 2 . ?
C26 C29 C28 7.7(10) 2 . ?
C27 C29 C28 120.6(8) 2 . ?
C26A C29 C28 108.1 . . ?
C26 C29 C26A 22.5(9) 2 2 ?
C27 C29 C26A 94.4(8) 2 2 ?
C26A C29 C26A 81.9(5) . 2 ?
C28 C29 C26A 26.2(5) . 2 ?
C26 C29 Co1B 72.4(12) 2 . ?
C27 C29 Co1B 77.8(7) 2 . ?
C26A C29 Co1B 71.6(5) . . ?
C28 C29 Co1B 68.7(7) . . ?
C26A C29 Co1B 59.4(7) 2 . ?
C26 C29 Co1B 76.0(12) 2 2 ?
C27 C29 Co1B 70.9(7) 2 2 ?
C26A C29 Co1B 64.7(5) . 2 ?
C28 C29 Co1B 73.0(7) . 2 ?
C26A C29 Co1B 60.8(7) 2 2 ?
Co1B C29 Co1B 7.0(10) . 2 ?
C26 C29 H29A 121.9 2 . ?
C27 C29 H29A 121.9 2 . ?
C26A C29 H29A 134.3 . . ?
C28 C29 H29A 117.1 . . ?
C26A C29 H29A 143.3 2 . ?
Co1B C29 H29A 119.0 . . ?
Co1B C29 H29A 122.6 2 . ?
C27 C26A C28 165(2) 2 2 ?
C27 C26A C29 27.6(18) 2 . ?
C28 C26A C29 139.1(12) 2 . ?
C27 C26A C26 135.3(17) 2 . ?
C28 C26A C26 32.1(12) 2 . ?
C29 C26A C26 107.7 . . ?
C27 C26A C26 49.1(17) 2 2 ?
C28 C26A C26 118.0(13) 2 2 ?
C29 C26A C26 21.6(3) . 2 ?
C26 C26A C26 86.3(3) . 2 ?
C27 C26A C29 125(2) 2 2 ?
C28 C26A C29 41.5(6) 2 2 ?
C29 C26A C29 98.0(6) . 2 ?
C26 C26A C29 9.9(6) . 2 ?
C26 C26A C29 76.6(7) 2 2 ?
C27 C26A Co1B 89.4(11) 2 2 ?
C28 C26A Co1B 78.2(8) 2 2 ?
C29 C26A Co1B 75.8(6) . 2 ?
C26 C26A Co1B 67.5(7) . 2 ?
C26 C26A Co1B 68.4(6) 2 2 ?
C29 C26A Co1B 62.2(8) 2 2 ?
C27 C26A Co1B 83.4(12) 2 . ?
C28 C26A Co1B 83.7(9) 2 . ?
C29 C26A Co1B 68.7(5) . . ?
C26 C26A Co1B 69.9(7) . . ?
C26 C26A Co1B 61.4(5) 2 . ?
C29 C26A Co1B 63.5(8) 2 . ?
Co1B C26A Co1B 7.1(9) 2 . ?
C27 C26A H26A 97.3 2 . ?
C28 C26A H26A 97.3 2 . ?
C29 C26A H26A 121.1 . . ?
C26 C26A H26A 122.8 . . ?
C26 C26A H26A 136.9 2 . ?
C29 C26A H26A 131.9 2 . ?
Co1B C26A H26A 148.3 2 . ?
Co1B C26A H26A 153.0 . . ?

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
Co1B Co1B P1 O1 175(19) 2 . . . ?
C26 Co1B P1 O1 157.1(18) 2 . . . ?
P3 Co1B P1 O1 49.0(9) 2 . . . ?
C26A Co1B P1 O1 -140.5(11) 2 . . . ?
C28 Co1B P1 O1 -160(3) . . . . ?
P2 Co1B P1 O1 -47.2(8) 2 . . . ?
C29 Co1B P1 O1 136.6(9) . . . . ?
C27 Co1B P1 O1 -138.0(7) . . . . ?
C26 Co1B P1 O1 -166.6(5) . . . . ?
P1 Co1B P1 O1 1.7(14) 2 . . . ?
C26A Co1B P1 O1 154.4(5) . . . . ?
P3 Co1B P1 O1 -72.3(5) . . . . ?
Co1B Co1B P1 O6 58(20) 2 . . . ?
C26 Co1B P1 O6 41(2) 2 . . . ?
P3 Co1B P1 O6 -67.2(6) 2 . . . ?
C26A Co1B P1 O6 103.3(14) 2 . . . ?
C28 Co1B P1 O6 83(3) . . . . ?
P2 Co1B P1 O6 -163.4(5) 2 . . . ?
C29 Co1B P1 O6 20.3(13) . . . . ?
C27 Co1B P1 O6 105.8(11) . . . . ?
C26 Co1B P1 O6 77.1(9) . . . . ?
P1 Co1B P1 O6 -114.5(10) 2 . . . ?
C26A Co1B P1 O6 38.1(9) . . . . ?
P3 Co1B P1 O6 171.5(3) . . . . ?
Co1B Co1B P1 O5 -69(20) 2 . . . ?
C26 Co1B P1 O5 -87(2) 2 . . . ?
P3 Co1B P1 O5 165.0(5) 2 . . . ?
C26A Co1B P1 O5 -24.5(14) 2 . . . ?
C28 Co1B P1 O5 -44(3) . . . . ?
P2 Co1B P1 O5 68.8(5) 2 . . . ?
C29 Co1B P1 O5 -107.4(12) . . . . ?
C27 Co1B P1 O5 -22.0(11) . . . . ?
C26 Co1B P1 O5 -50.7(8) . . . . ?
P1 Co1B P1 O5 117.7(10) 2 . . . ?
C26A Co1B P1 O5 -89.7(8) . . . . ?
P3 Co1B P1 O5 43.7(3) . . . . ?
C26 Co1B P1 Co1B -18(18) 2 . . 2 ?
P3 Co1B P1 Co1B -126(20) 2 . . 2 ?
C26A Co1B P1 Co1B 45(18) 2 . . 2 ?
C28 Co1B P1 Co1B 25(16) . . . 2 ?
P2 Co1B P1 Co1B 138(20) 2 . . 2 ?
C29 Co1B P1 Co1B -38(18) . . . 2 ?
C27 Co1B P1 Co1B 47(19) . . . 2 ?
C26 Co1B P1 Co1B 19(19) . . . 2 ?
P1 Co1B P1 Co1B -173(21) 2 . . 2 ?
C26A Co1B P1 Co1B -20(19) . . . 2 ?
P3 Co1B P1 Co1B 113(20) . . . 2 ?
Co1B Co1B P1 Yb1 173(20) 2 . . . ?
C26 Co1B P1 Yb1 156(2) 2 . . . ?
P3 Co1B P1 Yb1 47.6(6) 2 . . . ?
C26A Co1B P1 Yb1 -141.9(13) 2 . . . ?
C28 Co1B P1 Yb1 -162(3) . . . . ?
P2 Co1B P1 Yb1 -48.5(5) 2 . . . ?
C29 Co1B P1 Yb1 135.2(12) . . . . ?
C27 Co1B P1 Yb1 -139.4(10) . . . . ?
C26 Co1B P1 Yb1 -168.0(8) . . . . ?
P1 Co1B P1 Yb1 0.3(10) 2 . . . ?
C26A Co1B P1 Yb1 153.0(7) . . . . ?
P3 Co1B P1 Yb1 -73.64(17) . . . . ?
O2 Yb1 P1 O1 -129.7(5) 2 . . . ?
O2 Yb1 P1 O1 100.7(5) . . . . ?
O1 Yb1 P1 O1 -178.3(3) 2 . . . ?
O3 Yb1 P1 O1 139.6(5) 2 . . . ?
O3 Yb1 P1 O1 -91.4(5) . . . . ?
N2 Yb1 P1 O1 -45.1(4) 2 . . . ?
N2 Yb1 P1 O1 103.1(4) . . . . ?
N1 Yb1 P1 O1 -123.0(4) 2 . . . ?
N1 Yb1 P1 O1 31.2(4) . . . . ?
P2 Yb1 P1 O1 -142.5(5) 2 . . . ?
P2 Yb1 P1 O1 122.9(5) . . . . ?
O2 Yb1 P1 O6 154.3(4) 2 . . . ?
O2 Yb1 P1 O6 24.7(4) . . . . ?
O1 Yb1 P1 O6 105.7(4) 2 . . . ?
O1 Yb1 P1 O6 -76.1(6) . . . . ?
O3 Yb1 P1 O6 63.6(4) 2 . . . ?
O3 Yb1 P1 O6 -167.5(4) . . . . ?
N2 Yb1 P1 O6 -121.1(4) 2 . . . ?
N2 Yb1 P1 O6 27.0(4) . . . . ?
N1 Yb1 P1 O6 161.0(3) 2 . . . ?
N1 Yb1 P1 O6 -44.8(4) . . . . ?
P2 Yb1 P1 O6 141.4(4) 2 . . . ?
P2 Yb1 P1 O6 46.9(3) . . . . ?
O2 Yb1 P1 O5 -54.0(3) 2 . . . ?
O2 Yb1 P1 O5 176.4(3) . . . . ?
O1 Yb1 P1 O5 -102.6(3) 2 . . . ?
O1 Yb1 P1 O5 75.7(5) . . . . ?
O3 Yb1 P1 O5 -144.7(3) 2 . . . ?
O3 Yb1 P1 O5 -15.7(3) . . . . ?
N2 Yb1 P1 O5 30.6(3) 2 . . . ?
N2 Yb1 P1 O5 178.7(3) . . . . ?
N1 Yb1 P1 O5 -47.3(3) 2 . . . ?
N1 Yb1 P1 O5 106.9(3) . . . . ?
P2 Yb1 P1 O5 -66.8(3) 2 . . . ?
P2 Yb1 P1 O5 -161.4(3) . . . . ?
O2 Yb1 P1 Co1B 48.0(7) 2 . . 2 ?
O2 Yb1 P1 Co1B -81.6(7) . . . 2 ?
O1 Yb1 P1 Co1B -0.5(7) 2 . . 2 ?
O1 Yb1 P1 Co1B 177.7(8) . . . 2 ?
O3 Yb1 P1 Co1B -42.7(7) 2 . . 2 ?
O3 Yb1 P1 Co1B 86.3(7) . . . 2 ?
N2 Yb1 P1 Co1B 132.6(7) 2 . . 2 ?
N2 Yb1 P1 Co1B -79.2(7) . . . 2 ?
N1 Yb1 P1 Co1B 54.7(7) 2 . . 2 ?
N1 Yb1 P1 Co1B -151.0(7) . . . 2 ?
P2 Yb1 P1 Co1B 35.2(7) 2 . . 2 ?
P2 Yb1 P1 Co1B -59.3(7) . . . 2 ?
O2 Yb1 P1 Co1B 47.6(7) 2 . . . ?
O2 Yb1 P1 Co1B -82.0(7) . . . . ?
O1 Yb1 P1 Co1B -1.0(7) 2 . . . ?
O1 Yb1 P1 Co1B 177.3(8) . . . . ?
O3 Yb1 P1 Co1B -43.1(7) 2 . . . ?
O3 Yb1 P1 Co1B 85.9(7) . . . . ?
N2 Yb1 P1 Co1B 132.2(6) 2 . . . ?
N2 Yb1 P1 Co1B -79.7(6) . . . . ?
N1 Yb1 P1 Co1B 54.3(7) 2 . . . ?
N1 Yb1 P1 Co1B -151.5(6) . . . . ?
P2 Yb1 P1 Co1B 34.7(6) 2 . . . ?
P2 Yb1 P1 Co1B -59.8(6) . . . . ?
O6 P1 O1 Yb1 113.2(5) . . . . ?
O5 P1 O1 Yb1 -114.9(5) . . . . ?
Co1B P1 O1 Yb1 -2.6(10) 2 . . . ?
Co1B P1 O1 Yb1 -3.1(9) . . . . ?
O2 Yb1 O1 P1 46.1(4) 2 . . . ?
O2 Yb1 O1 P1 -63.0(4) . . . . ?
O1 Yb1 O1 P1 1.8(3) 2 . . . ?
O3 Yb1 O1 P1 -37.4(4) 2 . . . ?
O3 Yb1 O1 P1 68.4(4) . . . . ?
N2 Yb1 O1 P1 135.6(4) 2 . . . ?
N2 Yb1 O1 P1 -93.6(4) . . . . ?
N1 Yb1 O1 P1 83.2(5) 2 . . . ?
N1 Yb1 O1 P1 -147.8(5) . . . . ?
P2 Yb1 O1 P1 31.7(4) 2 . . . ?
P2 Yb1 O1 P1 -39.8(4) . . . . ?
O2 Yb1 O2 P2 -3.8(3) 2 . . . ?
O1 Yb1 O2 P2 -49.8(4) 2 . . . ?
O1 Yb1 O2 P2 64.9(4) . . . . ?
O3 Yb1 O2 P2 -73.5(4) 2 . . . ?
O3 Yb1 O2 P2 33.8(4) . . . . ?
N2 Yb1 O2 P2 90.6(4) 2 . . . ?
N2 Yb1 O2 P2 -136.7(4) . . . . ?
N1 Yb1 O2 P2 -79.4(5) 2 . . . ?
N1 Yb1 O2 P2 148.1(4) . . . . ?
P2 Yb1 O2 P2 -5.0(4) 2 . . . ?
Yb1 O2 P2 O4 125.8(5) . . . . ?
Yb1 O2 P2 O6 -105.9(4) . . . . ?
Yb1 O2 P2 Co1B 2.7(8) . . . 2 ?
Yb1 O2 P2 Co1B 9.9(8) . . . . ?
Co1B Co1B P2 O2 -113(7) 2 . . . ?
C26 Co1B P2 O2 143.7(6) 2 . . . ?
P3 Co1B P2 O2 69.8(5) 2 . . . ?
C26A Co1B P2 O2 180(2) 2 . . . ?
C28 Co1B P2 O2 133.3(10) . . . . ?
P2 Co1B P2 O2 -9.2(10) 2 . . . ?
C29 Co1B P2 O2 145.2(5) . . . . ?
C27 Co1B P2 O2 -150(2) . . . . ?
C26 Co1B P2 O2 -145.1(6) . . . . ?
P1 Co1B P2 O2 41.9(8) 2 . . . ?
C26A Co1B P2 O2 -177.2(4) . . . . ?
P3 Co1B P2 O2 -52.0(6) . . . . ?
Co1B Co1B P2 O4 129(8) 2 . . . ?
C26 Co1B P2 O4 25.4(9) 2 . . . ?
P3 Co1B P2 O4 -48.5(4) 2 . . . ?
C26A Co1B P2 O4 61(3) 2 . . . ?
C28 Co1B P2 O4 15.0(12) . . . . ?
P2 Co1B P2 O4 -127.5(7) 2 . . . ?
C29 Co1B P2 O4 26.9(7) . . . . ?
C27 Co1B P2 O4 91(2) . . . . ?
C26 Co1B P2 O4 96.6(9) . . . . ?
P1 Co1B P2 O4 -76.4(6) 2 . . . ?
C26A Co1B P2 O4 64.5(7) . . . . ?
P3 Co1B P2 O4 -170.4(4) . . . . ?
Co1B Co1B P2 O6 2(8) 2 . . . ?
C26 Co1B P2 O6 -101.3(9) 2 . . . ?
P3 Co1B P2 O6 -175.2(3) 2 . . . ?
C26A Co1B P2 O6 -65(3) 2 . . . ?
C28 Co1B P2 O6 -111.7(12) . . . . ?
P2 Co1B P2 O6 105.8(7) 2 . . . ?
C29 Co1B P2 O6 -99.8(7) . . . . ?
C27 Co1B P2 O6 -35(2) . . . . ?
C26 Co1B P2 O6 -30.1(10) . . . . ?
P1 Co1B P2 O6 157.0(5) 2 . . . ?
C26A Co1B P2 O6 -62.2(7) . . . . ?
P3 Co1B P2 O6 63.0(5) . . . . ?
C26 Co1B P2 Co1B -103(7) 2 . . 2 ?
P3 Co1B P2 Co1B -177(8) 2 . . 2 ?
C26A Co1B P2 Co1B -67(6) 2 . . 2 ?
C28 Co1B P2 Co1B -114(8) . . . 2 ?
P2 Co1B P2 Co1B 104(8) 2 . . 2 ?
C29 Co1B P2 Co1B -102(7) . . . 2 ?
C27 Co1B P2 Co1B -37(6) . . . 2 ?
C26 Co1B P2 Co1B -32(7) . . . 2 ?
P1 Co1B P2 Co1B 155(8) 2 . . 2 ?
C26A Co1B P2 Co1B -64(7) . . . 2 ?
P3 Co1B P2 Co1B 61(8) . . . 2 ?
Co1B Co1B P2 Yb1 -109(8) 2 . . . ?
C26 Co1B P2 Yb1 148.1(8) 2 . . . ?
P3 Co1B P2 Yb1 74.2(3) 2 . . . ?
C26A Co1B P2 Yb1 -176(3) 2 . . . ?
C28 Co1B P2 Yb1 137.7(11) . . . . ?
P2 Co1B P2 Yb1 -4.8(8) 2 . . . ?
C29 Co1B P2 Yb1 149.6(6) . . . . ?
C27 Co1B P2 Yb1 -146(2) . . . . ?
C26 Co1B P2 Yb1 -140.7(8) . . . . ?
P1 Co1B P2 Yb1 46.4(6) 2 . . . ?
C26A Co1B P2 Yb1 -172.8(6) . . . . ?
P3 Co1B P2 Yb1 -47.6(4) . . . . ?
O2 Yb1 P2 O2 176.2(3) 2 . . . ?
O1 Yb1 P2 O2 125.9(4) 2 . . . ?
O1 Yb1 P2 O2 -99.0(4) . . . . ?
O3 Yb1 P2 O2 84.8(4) 2 . . . ?
O3 Yb1 P2 O2 -143.4(4) . . . . ?
N2 Yb1 P2 O2 -105.0(4) 2 . . . ?
N2 Yb1 P2 O2 44.4(4) . . . . ?
N1 Yb1 P2 O2 126.8(4) 2 . . . ?
N1 Yb1 P2 O2 -31.1(4) . . . . ?
P2 Yb1 P2 O2 174.5(4) 2 . . . ?
O2 Yb1 P2 O4 111.6(4) 2 . . . ?
O2 Yb1 P2 O4 -64.6(5) . . . . ?
O1 Yb1 P2 O4 61.3(4) 2 . . . ?
O1 Yb1 P2 O4 -163.6(4) . . . . ?
O3 Yb1 P2 O4 20.2(4) 2 . . . ?
O3 Yb1 P2 O4 152.0(4) . . . . ?
N2 Yb1 P2 O4 -169.6(3) 2 . . . ?
N2 Yb1 P2 O4 -20.2(3) . . . . ?
N1 Yb1 P2 O4 62.2(4) 2 . . . ?
N1 Yb1 P2 O4 -95.7(3) . . . . ?
P2 Yb1 P2 O4 109.8(4) 2 . . . ?
O2 Yb1 P2 O6 -102.0(3) 2 . . . ?
O2 Yb1 P2 O6 81.8(5) . . . . ?
O1 Yb1 P2 O6 -152.3(3) 2 . . . ?
O1 Yb1 P2 O6 -17.2(3) . . . . ?
O3 Yb1 P2 O6 166.6(4) 2 . . . ?
O3 Yb1 P2 O6 -61.6(3) . . . . ?
N2 Yb1 P2 O6 -23.2(3) 2 . . . ?
N2 Yb1 P2 O6 126.2(3) . . . . ?
N1 Yb1 P2 O6 -151.4(3) 2 . . . ?
N1 Yb1 P2 O6 50.7(3) . . . . ?
P2 Yb1 P2 O6 -103.7(3) 2 . . . ?
O2 Yb1 P2 Co1B -1.6(5) 2 . . 2 ?
O2 Yb1 P2 Co1B -177.7(7) . . . 2 ?
O1 Yb1 P2 Co1B -51.8(5) 2 . . 2 ?
O1 Yb1 P2 Co1B 83.3(5) . . . 2 ?
O3 Yb1 P2 Co1B -92.9(6) 2 . . 2 ?
O3 Yb1 P2 Co1B 38.8(5) . . . 2 ?
N2 Yb1 P2 Co1B 77.2(5) 2 . . 2 ?
N2 Yb1 P2 Co1B -133.3(5) . . . 2 ?
N1 Yb1 P2 Co1B -51.0(5) 2 . . 2 ?
N1 Yb1 P2 Co1B 151.2(5) . . . 2 ?
P2 Yb1 P2 Co1B -3.3(5) 2 . . 2 ?
O2 Yb1 P2 Co1B 4.8(5) 2 . . . ?
O2 Yb1 P2 Co1B -171.4(7) . . . . ?
O1 Yb1 P2 Co1B -45.5(5) 2 . . . ?
O1 Yb1 P2 Co1B 89.6(5) . . . . ?
O3 Yb1 P2 Co1B -86.6(6) 2 . . . ?
O3 Yb1 P2 Co1B 45.2(5) . . . . ?
N2 Yb1 P2 Co1B 83.6(5) 2 . . . ?
N2 Yb1 P2 Co1B -126.9(5) . . . . ?
N1 Yb1 P2 Co1B -44.6(5) 2 . . . ?
N1 Yb1 P2 Co1B 157.5(5) . . . . ?
P2 Yb1 P2 Co1B 3.1(5) 2 . . . ?
O2 Yb1 O3 P3 71.0(5) 2 . . . ?
O2 Yb1 O3 P3 -38.8(5) . . . . ?
O1 Yb1 O3 P3 40.6(5) 2 . . . ?
O1 Yb1 O3 P3 -73.8(5) . . . . ?
O3 Yb1 O3 P3 -0.6(4) 2 . . . ?
N2 Yb1 O3 P3 -178.6(6) 2 . . . ?
N2 Yb1 O3 P3 8.0(12) . . . . ?
N1 Yb1 O3 P3 113.9(5) 2 . . . ?
N1 Yb1 O3 P3 -112.0(5) . . . . ?
P2 Yb1 O3 P3 43.2(4) 2 . . . ?
P2 Yb1 O3 P3 -28.3(5) . . . . ?
Yb1 O3 P3 O4 -116.5(5) . . . 2 ?
Yb1 O3 P3 O5 120.5(5) . . . . ?
Yb1 O3 P3 Co1B 5.2(9) . . . 2 ?
Yb1 O3 P3 Co1B -2.7(9) . . . . ?
Co1B Co1B P3 O3 107(7) 2 . . . ?
C26 Co1B P3 O3 -157.2(15) 2 . . . ?
P3 Co1B P3 O3 6.5(12) 2 . . . ?
C26A Co1B P3 O3 -151.7(5) 2 . . . ?
C28 Co1B P3 O3 -136.3(7) . . . . ?
P2 Co1B P3 O3 -70.2(6) 2 . . . ?
C29 Co1B P3 O3 174(3) . . . . ?
C27 Co1B P3 O3 -159.3(5) . . . . ?
C26 Co1B P3 O3 160.7(5) . . . . ?
P1 Co1B P3 O3 -42.5(10) 2 . . . ?
C26A Co1B P3 O3 136.1(9) . . . . ?
Co1B Co1B P3 O4 -137(7) 2 . . 2 ?
C26 Co1B P3 O4 -41.4(19) 2 . . 2 ?
P3 Co1B P3 O4 122.3(9) 2 . . 2 ?
C26A Co1B P3 O4 -35.9(8) 2 . . 2 ?
C28 Co1B P3 O4 -20.5(9) . . . 2 ?
P2 Co1B P3 O4 45.6(3) 2 . . 2 ?
C29 Co1B P3 O4 -71(3) . . . 2 ?
C27 Co1B P3 O4 -43.5(7) . . . 2 ?
C26 Co1B P3 O4 -83.5(7) . . . 2 ?
P1 Co1B P3 O4 73.3(6) 2 . . 2 ?
C26A Co1B P3 O4 -108.1(11) . . . 2 ?
Co1B Co1B P3 O5 -13(7) 2 . . . ?
C26 Co1B P3 O5 82.4(19) 2 . . . ?
P3 Co1B P3 O5 -113.9(8) 2 . . . ?
C26A Co1B P3 O5 87.9(8) 2 . . . ?
C28 Co1B P3 O5 103.3(10) . . . . ?
P2 Co1B P3 O5 169.4(3) 2 . . . ?
C29 Co1B P3 O5 53(3) . . . . ?
C27 Co1B P3 O5 80.3(8) . . . . ?
C26 Co1B P3 O5 40.2(9) . . . . ?
P1 Co1B P3 O5 -163.0(5) 2 . . . ?
C26A Co1B P3 O5 15.6(13) . . . . ?
C26 Co1B P3 Co1B 96(6) 2 . . 2 ?
P3 Co1B P3 Co1B -100(8) 2 . . 2 ?
C26A Co1B P3 Co1B 101(7) 2 . . 2 ?
C28 Co1B P3 Co1B 117(7) . . . 2 ?
P2 Co1B P3 Co1B -177(7) 2 . . 2 ?
C29 Co1B P3 Co1B 67(5) . . . 2 ?
C27 Co1B P3 Co1B 94(7) . . . 2 ?
C26 Co1B P3 Co1B 54(7) . . . 2 ?
P1 Co1B P3 Co1B -150(8) 2 . . 2 ?
C26A Co1B P3 Co1B 29(6) . . . 2 ?
Co1B Co1B P3 Yb1 106(7) 2 . . . ?
C26 Co1B P3 Yb1 -158.4(18) 2 . . . ?
P3 Co1B P3 Yb1 5.3(9) 2 . . . ?
C26A Co1B P3 Yb1 -152.9(7) 2 . . . ?
C28 Co1B P3 Yb1 -137.5(8) . . . . ?
P2 Co1B P3 Yb1 -71.4(2) 2 . . . ?
C29 Co1B P3 Yb1 172(3) . . . . ?
C27 Co1B P3 Yb1 -160.5(6) . . . . ?
C26 Co1B P3 Yb1 159.4(7) . . . . ?
P1 Co1B P3 Yb1 -43.8(6) 2 . . . ?
C26A Co1B P3 Yb1 134.8(11) . . . . ?
O2 Yb1 P3 O3 -86.9(6) 2 . . . ?
O2 Yb1 P3 O3 138.2(5) . . . . ?
O1 Yb1 P3 O3 -136.4(5) 2 . . . ?
O1 Yb1 P3 O3 86.4(6) . . . . ?
O3 Yb1 P3 O3 179.4(4) 2 . . . ?
N2 Yb1 P3 O3 1.3(5) 2 . . . ?
N2 Yb1 P3 O3 -176.5(5) . . . . ?
N1 Yb1 P3 O3 -72.5(5) 2 . . . ?
N1 Yb1 P3 O3 75.7(5) . . . . ?
P2 Yb1 P3 O3 -114.3(5) 2 . . . ?
P2 Yb1 P3 O3 146.4(5) . . . . ?
O2 Yb1 P3 O4 -13.9(3) 2 . . 2 ?
O2 Yb1 P3 O4 -148.8(3) . . . 2 ?
O1 Yb1 P3 O4 -63.4(3) 2 . . 2 ?
O1 Yb1 P3 O4 159.5(3) . . . 2 ?
O3 Yb1 P3 O4 -107.6(3) 2 . . 2 ?
O3 Yb1 P3 O4 73.0(6) . . . 2 ?
N2 Yb1 P3 O4 74.4(3) 2 . . 2 ?
N2 Yb1 P3 O4 -103.4(3) . . . 2 ?
N1 Yb1 P3 O4 0.5(3) 2 . . 2 ?
N1 Yb1 P3 O4 148.7(3) . . . 2 ?
P2 Yb1 P3 O4 -41.3(3) 2 . . 2 ?
P2 Yb1 P3 O4 -140.6(3) . . . 2 ?
O2 Yb1 P3 O5 -155.4(3) 2 . . . ?
O2 Yb1 P3 O5 69.7(3) . . . . ?
O1 Yb1 P3 O5 155.1(3) 2 . . . ?
O1 Yb1 P3 O5 17.9(3) . . . . ?
O3 Yb1 P3 O5 110.9(3) 2 . . . ?
O3 Yb1 P3 O5 -68.5(6) . . . . ?
N2 Yb1 P3 O5 -67.2(2) 2 . . . ?
N2 Yb1 P3 O5 115.0(2) . . . . ?
N1 Yb1 P3 O5 -141.0(2) 2 . . . ?
N1 Yb1 P3 O5 7.2(2) . . . . ?
P2 Yb1 P3 O5 177.2(3) 2 . . . ?
P2 Yb1 P3 O5 77.9(2) . . . . ?
O2 Yb1 P3 Co1B 97.5(6) 2 . . 2 ?
O2 Yb1 P3 Co1B -37.4(6) . . . 2 ?
O1 Yb1 P3 Co1B 48.0(6) 2 . . 2 ?
O1 Yb1 P3 Co1B -89.2(6) . . . 2 ?
O3 Yb1 P3 Co1B 3.8(6) 2 . . 2 ?
O3 Yb1 P3 Co1B -175.6(8) . . . 2 ?
N2 Yb1 P3 Co1B -174.2(6) 2 . . 2 ?
N2 Yb1 P3 Co1B 8.0(6) . . . 2 ?
N1 Yb1 P3 Co1B 111.9(6) 2 . . 2 ?
N1 Yb1 P3 Co1B -99.9(6) . . . 2 ?
P2 Yb1 P3 Co1B 70.1(6) 2 . . 2 ?
P2 Yb1 P3 Co1B -29.2(6) . . . 2 ?
O2 Yb1 P3 Co1B 90.7(6) 2 . . . ?
O2 Yb1 P3 Co1B -44.2(6) . . . . ?
O1 Yb1 P3 Co1B 41.3(6) 2 . . . ?
O1 Yb1 P3 Co1B -95.9(6) . . . . ?
O3 Yb1 P3 Co1B -3.0(6) 2 . . . ?
O3 Yb1 P3 Co1B 177.6(8) . . . . ?
N2 Yb1 P3 Co1B 179.0(6) 2 . . . ?
N2 Yb1 P3 Co1B 1.2(6) . . . . ?
N1 Yb1 P3 Co1B 105.1(6) 2 . . . ?
N1 Yb1 P3 Co1B -106.6(6) . . . . ?
P2 Yb1 P3 Co1B 63.3(6) 2 . . . ?
P2 Yb1 P3 Co1B -36.0(6) . . . . ?
O2 Yb1 N1 C6 133.3(3) 2 . . . ?
O2 Yb1 N1 C6 53.0(2) . . . . ?
O1 Yb1 N1 C6 15.8(3) 2 . . . ?
O1 Yb1 N1 C6 103.6(2) . . . . ?
O3 Yb1 N1 C6 26.3(2) 2 . . . ?
O3 Yb1 N1 C6 129.3(2) . . . . ?
N2 Yb1 N1 C6 -166.6(2) 2 . . . ?
N2 Yb1 N1 C6 -39.1(2) . . . . ?
N1 Yb1 N1 C6 -103.1(2) 2 . . . ?
P2 Yb1 N1 C6 102.8(2) 2 . . . ?
P2 Yb1 N1 C6 62.2(2) . . . . ?
O2 Yb1 N1 C9 -23.9(4) 2 . . . ?
O2 Yb1 N1 C9 -104.2(2) . . . . ?
O1 Yb1 N1 C9 -141.4(3) 2 . . . ?
O1 Yb1 N1 C9 -53.6(2) . . . . ?
O3 Yb1 N1 C9 -130.9(2) 2 . . . ?
O3 Yb1 N1 C9 -27.9(2) . . . . ?
N2 Yb1 N1 C9 36.2(2) 2 . . . ?
N2 Yb1 N1 C9 163.7(2) . . . . ?
N1 Yb1 N1 C9 99.7(2) 2 . . . ?
P2 Yb1 N1 C9 -54.5(2) 2 . . . ?
P2 Yb1 N1 C9 -95.0(2) . . . . ?
O2 Yb1 N2 C4 -128.3(2) 2 . . . ?
O2 Yb1 N2 C4 -30.6(2) . . . . ?
O1 Yb1 N2 C4 -109.1(2) 2 . . . ?
O1 Yb1 N2 C4 -7.9(3) . . . . ?
O3 Yb1 N2 C4 -67.8(3) 2 . . . ?
O3 Yb1 N2 C4 -76.9(8) . . . . ?
N2 Yb1 N2 C4 110.5(2) 2 . . . ?
N1 Yb1 N2 C4 173.7(2) 2 . . . ?
N1 Yb1 N2 C4 46.77(19) . . . . ?
P2 Yb1 N2 C4 -104.95(19) 2 . . . ?
P2 Yb1 N2 C4 -42.8(2) . . . . ?
O2 Yb1 N2 C1 14.9(3) 2 . . . ?
O2 Yb1 N2 C1 112.6(2) . . . . ?
O1 Yb1 N2 C1 34.1(2) 2 . . . ?
O1 Yb1 N2 C1 135.3(2) . . . . ?
O3 Yb1 N2 C1 75.4(3) 2 . . . ?
O3 Yb1 N2 C1 66.3(8) . . . . ?
N2 Yb1 N2 C1 -106.3(2) 2 . . . ?
N1 Yb1 N2 C1 -43.09(19) 2 . . . ?
N1 Yb1 N2 C1 -170.0(2) . . . . ?
P2 Yb1 N2 C1 38.2(2) 2 . . . ?
P2 Yb1 N2 C1 100.39(19) . . . . ?
C6 N1 C9 C10 177.2(3) . . . . ?
Yb1 N1 C9 C10 -22.4(4) . . . . ?
C6 N1 C9 C8 -0.8(3) . . . . ?
Yb1 N1 C9 C8 159.63(18) . . . . ?
N1 C9 C8 C7 0.7(3) . . . . ?
C10 C9 C8 C7 -177.3(3) . . . . ?
N1 C9 C8 F4 -179.6(3) . . . . ?
C10 C9 C8 F4 2.4(5) . . . . ?
F4 C8 C7 F3 -1.6(6) . . . . ?
C9 C8 C7 F3 178.2(3) . . . . ?
F4 C8 C7 C6 179.9(3) . . . . ?
C9 C8 C7 C6 -0.3(4) . . . . ?
C9 N1 C6 C5 -176.7(3) . . . . ?
Yb1 N1 C6 C5 22.8(4) . . . . ?
C9 N1 C6 C7 0.6(3) . . . . ?
Yb1 N1 C6 C7 -160.03(19) . . . . ?
C8 C7 C6 N1 -0.1(3) . . . . ?
F3 C7 C6 N1 -178.6(3) . . . . ?
C8 C7 C6 C5 177.1(3) . . . . ?
F3 C7 C6 C5 -1.3(5) . . . . ?
N1 C6 C5 C4 8.0(4) . . . . ?
C7 C6 C5 C4 -168.7(3) . . . . ?
N1 C6 C5 C11 -178.1(3) . . . . ?
C7 C6 C5 C11 5.1(4) . . . . ?
C1 N2 C4 C5 171.6(3) . . . . ?
Yb1 N2 C4 C5 -40.5(3) . . . . ?
C1 N2 C4 C3 -4.0(3) . . . . ?
Yb1 N2 C4 C3 143.95(19) . . . . ?
C6 C5 C4 N2 2.0(4) . . . . ?
C11 C5 C4 N2 -171.8(2) . . . . ?
C6 C5 C4 C3 176.8(3) . . . . ?
C11 C5 C4 C3 3.0(4) . . . . ?
N2 C4 C3 C2 3.2(3) . . . . ?
C5 C4 C3 C2 -172.3(3) . . . . ?
N2 C4 C3 F2 -177.1(3) . . . . ?
C5 C4 C3 F2 7.4(5) . . . . ?
F2 C3 C2 F1 -0.6(5) . . . . ?
C4 C3 C2 F1 179.1(3) . . . . ?
F2 C3 C2 C1 179.1(3) . . . . ?
C4 C3 C2 C1 -1.2(3) . . . . ?
C4 N2 C1 C10 -173.7(3) . . . 2 ?
Yb1 N2 C1 C10 38.7(3) . . . 2 ?
C4 N2 C1 C2 3.2(3) . . . . ?
Yb1 N2 C1 C2 -144.36(19) . . . . ?
C3 C2 C1 N2 -1.2(3) . . . . ?
F1 C2 C1 N2 178.5(3) . . . . ?
C3 C2 C1 C10 175.7(3) . . . 2 ?
F1 C2 C1 C10 -4.6(5) . . . 2 ?
N1 C9 C10 C1 -4.7(4) . . . 2 ?
C8 C9 C10 C1 173.0(3) . . . 2 ?
N1 C9 C10 C17 -178.3(2) . . . . ?
C8 C9 C10 C17 -0.6(4) . . . . ?
C4 C5 C11 C12 -112.0(3) . . . . ?
C6 C5 C11 C12 73.7(4) . . . . ?
C4 C5 C11 C16 69.9(4) . . . . ?
C6 C5 C11 C16 -104.4(3) . . . . ?
C16 C11 C12 F5 178.1(3) . . . . ?
C5 C11 C12 F5 -0.1(5) . . . . ?
C16 C11 C12 C13 -1.2(5) . . . . ?
C5 C11 C12 C13 -179.4(3) . . . . ?
F5 C12 C13 F6 1.0(5) . . . . ?
C11 C12 C13 F6 -179.6(3) . . . . ?
F5 C12 C13 C14 -179.3(3) . . . . ?
C11 C12 C13 C14 0.1(5) . . . . ?
F6 C13 C14 F7 0.8(5) . . . . ?
C12 C13 C14 F7 -178.9(3) . . . . ?
F6 C13 C14 C15 -179.1(3) . . . . ?
C12 C13 C14 C15 1.2(5) . . . . ?
F7 C14 C15 F8 -0.8(6) . . . . ?
C13 C14 C15 F8 179.0(3) . . . . ?
F7 C14 C15 C16 178.8(3) . . . . ?
C13 C14 C15 C16 -1.3(6) . . . . ?
F8 C15 C16 F9 -0.2(6) . . . . ?
C14 C15 C16 F9 -179.9(3) . . . . ?
F8 C15 C16 C11 179.8(3) . . . . ?
C14 C15 C16 C11 0.1(6) . . . . ?
C12 C11 C16 F9 -178.9(3) . . . . ?
C5 C11 C16 F9 -0.6(5) . . . . ?
C12 C11 C16 C15 1.1(5) . . . . ?
C5 C11 C16 C15 179.4(3) . . . . ?
C1 C10 C17 C22 106.4(3) 2 . . . ?
C9 C10 C17 C22 -79.4(4) . . . . ?
C1 C10 C17 C18 -77.0(4) 2 . . . ?
C9 C10 C17 C18 97.2(3) . . . . ?
C22 C17 C18 F10 -179.7(3) . . . . ?
C10 C17 C18 F10 3.5(5) . . . . ?
C22 C17 C18 C19 1.2(5) . . . . ?
C10 C17 C18 C19 -175.6(3) . . . . ?
F10 C18 C19 F11 0.5(5) . . . . ?
C17 C18 C19 F11 179.7(3) . . . . ?
F10 C18 C19 C20 -179.2(3) . . . . ?
C17 C18 C19 C20 0.0(5) . . . . ?
F11 C19 C20 F12 -1.5(5) . . . . ?
C18 C19 C20 F12 178.3(3) . . . . ?
F11 C19 C20 C21 178.9(3) . . . . ?
C18 C19 C20 C21 -1.4(5) . . . . ?
F12 C20 C21 F13 0.7(5) . . . . ?
C19 C20 C21 F13 -179.6(3) . . . . ?
F12 C20 C21 C22 -178.1(3) . . . . ?
C19 C20 C21 C22 1.6(5) . . . . ?
C18 C17 C22 F14 -179.6(3) . . . . ?
C10 C17 C22 F14 -2.8(5) . . . . ?
C18 C17 C22 C21 -1.0(5) . . . . ?
C10 C17 C22 C21 175.8(3) . . . . ?
F13 C21 C22 F14 -0.6(5) . . . . ?
C20 C21 C22 F14 178.2(3) . . . . ?
F13 C21 C22 C17 -179.2(3) . . . . ?
C20 C21 C22 C17 -0.4(5) . . . . ?
O2 P2 O4 C25 27.5(11) . . . . ?
O6 P2 O4 C25 -90.1(10) . . . . ?
Co1B P2 O4 C25 159.5(10) 2 . . . ?
Co1B P2 O4 C25 154.0(10) . . . . ?
Yb1 P2 O4 C25 52.5(11) . . . . ?
O2 P2 O4 P3 -78.5(2) . . . 2 ?
O6 P2 O4 P3 163.9(3) . . . 2 ?
Co1B P2 O4 P3 53.5(4) 2 . . 2 ?
Co1B P2 O4 P3 48.1(4) . . . 2 ?
Yb1 P2 O4 P3 -53.4(2) . . . 2 ?
O3 P3 O5 C23 27.2(8) . . . . ?
O4 P3 O5 C23 -88.5(8) 2 . . . ?
Co1B P3 O5 C23 155.0(9) 2 . . . ?
Co1B P3 O5 C23 156.7(8) . . . . ?
Yb1 P3 O5 C23 52.8(8) . . . . ?
O3 P3 O5 P1 -75.0(2) . . . . ?
O4 P3 O5 P1 169.3(2) 2 . . . ?
Co1B P3 O5 P1 52.8(5) 2 . . . ?
Co1B P3 O5 P1 54.4(5) . . . . ?
Yb1 P3 O5 P1 -49.38(16) . . . . ?
O1 P1 O5 C23 -50.6(6) . . . . ?
O6 P1 O5 C23 71.4(5) . . . . ?
Co1B P1 O5 C23 -176.7(6) 2 . . . ?
Co1B P1 O5 C23 -172.9(6) . . . . ?
Yb1 P1 O5 C23 -77.9(5) . . . . ?
O1 P1 O5 P3 77.6(2) . . . . ?
O6 P1 O5 P3 -160.5(3) . . . . ?
Co1B P1 O5 P3 -48.5(4) 2 . . . ?
Co1B P1 O5 P3 -44.8(4) . . . . ?
Yb1 P1 O5 P3 50.22(18) . . . . ?
O1 P1 O6 C24 24.5(10) . . . . ?
O5 P1 O6 C24 -98.6(9) . . . . ?
Co1B P1 O6 C24 151.6(9) 2 . . . ?
Co1B P1 O6 C24 148.1(9) . . . . ?
Yb1 P1 O6 C24 51.5(10) . . . . ?
O1 P1 O6 P2 -79.8(3) . . . . ?
O5 P1 O6 P2 157.1(3) . . . . ?
Co1B P1 O6 P2 47.3(4) 2 . . . ?
Co1B P1 O6 P2 43.9(4) . . . . ?
Yb1 P1 O6 P2 -52.8(2) . . . . ?
O2 P2 O6 C24 -43.9(7) . . . . ?
O4 P2 O6 C24 75.7(7) . . . . ?
Co1B P2 O6 C24 -169.4(8) 2 . . . ?
Co1B P2 O6 C24 -169.6(8) . . . . ?
Yb1 P2 O6 C24 -71.0(7) . . . . ?
O2 P2 O6 P1 78.0(3) . . . . ?
O4 P2 O6 P1 -162.5(2) . . . . ?
Co1B P2 O6 P1 -47.5(5) 2 . . . ?
Co1B P2 O6 P1 -47.8(5) . . . . ?
Yb1 P2 O6 P1 50.9(2) . . . . ?
Co1B Co1B C26 C29 114(12) 2 . . 2 ?
C26 Co1B C26 C29 -99.7(16) 2 . . 2 ?
P3 Co1B C26 C29 -167.9(16) 2 . . 2 ?
C26A Co1B C26 C29 -51.6(11) 2 . . 2 ?
C28 Co1B C26 C29 -74.9(15) . . . 2 ?
P2 Co1B C26 C29 15.7(14) 2 . . 2 ?
C29 Co1B C26 C29 -119.1(14) . . . 2 ?
C27 Co1B C26 C29 -36.7(14) . . . 2 ?
P1 Co1B C26 C29 -50(3) 2 . . 2 ?
C26A Co1B C26 C29 -156.4(13) . . . 2 ?
P3 Co1B C26 C29 55.9(13) . . . 2 ?
Co1B Co1B C26 C28 -53(12) 2 . . 2 ?
C26 Co1B C26 C28 93.1(12) 2 . . 2 ?
P3 Co1B C26 C28 24.8(16) 2 . . 2 ?
C26A Co1B C26 C28 141.1(11) 2 . . 2 ?
C28 Co1B C26 C28 117.8(12) . . . 2 ?
P2 Co1B C26 C28 -151.6(11) 2 . . 2 ?
C29 Co1B C26 C28 73.6(12) . . . 2 ?
C27 Co1B C26 C28 156.0(11) . . . 2 ?
P1 Co1B C26 C28 142(3) 2 . . 2 ?
C26A Co1B C26 C28 36.3(12) . . . 2 ?
P3 Co1B C26 C28 -111.4(11) . . . 2 ?
Co1B Co1B C26 C26A -90(12) 2 . . . ?
C26 Co1B C26 C26A 56.8(5) 2 . . . ?
P3 Co1B C26 C26A -11.5(13) 2 . . . ?
C26A Co1B C26 C26A 104.8(6) 2 . . . ?
C28 Co1B C26 C26A 81.5(5) . . . . ?
P2 Co1B C26 C26A 172.1(9) 2 . . . ?
C29 Co1B C26 C26A 37.3(3) . . . . ?
C27 Co1B C26 C26A 119.7(3) . . . . ?
P1 Co1B C26 C26A 106(3) 2 . . . ?
P3 Co1B C26 C26A -147.7(8) . . . . ?
Co1B Co1B C26 C27 151(12) 2 . . . ?
C26 Co1B C26 C27 -62.9(5) 2 . . . ?
P3 Co1B C26 C27 -131.2(15) 2 . . . ?
C26A Co1B C26 C27 -14.9(5) 2 . . . ?
C28 Co1B C26 C27 -38.2(3) . . . . ?
P2 Co1B C26 C27 52.4(8) 2 . . . ?
C29 Co1B C26 C27 -82.4(4) . . . . ?
P1 Co1B C26 C27 -14(3) 2 . . . ?
C26A Co1B C26 C27 -119.7(3) . . . . ?
P3 Co1B C26 C27 92.6(8) . . . . ?
Co1B Co1B C26 C26A 165(12) 2 . . 2 ?
C26 Co1B C26 C26A -48.1(6) 2 . . 2 ?
P3 Co1B C26 C26A -116.3(14) 2 . . 2 ?
C28 Co1B C26 C26A -23.3(6) . . . 2 ?
P2 Co1B C26 C26A 67.2(9) 2 . . 2 ?
C29 Co1B C26 C26A -67.6(6) . . . 2 ?
C27 Co1B C26 C26A 14.9(5) . . . 2 ?
P1 Co1B C26 C26A 1(3) 2 . . 2 ?
C26A Co1B C26 C26A -104.8(6) . . . 2 ?
P3 Co1B C26 C26A 107.5(9) . . . 2 ?
Co1B Co1B C26 C27 -100(12) 2 . . 2 ?
C26 Co1B C26 C27 46.8(6) 2 . . 2 ?
P3 Co1B C26 C27 -21.4(12) 2 . . 2 ?
C26A Co1B C26 C27 94.9(6) 2 . . 2 ?
C28 Co1B C26 C27 71.5(7) . . . 2 ?
P2 Co1B C26 C27 162.1(10) 2 . . 2 ?
C29 Co1B C26 C27 27.3(7) . . . 2 ?
C27 Co1B C26 C27 109.7(6) . . . 2 ?
P1 Co1B C26 C27 96(3) 2 . . 2 ?
C26A Co1B C26 C27 -10.0(6) . . . 2 ?
P3 Co1B C26 C27 -157.7(9) . . . 2 ?
C26 Co1B C26 Co1B 147(12) 2 . . 2 ?
P3 Co1B C26 Co1B 78(12) 2 . . 2 ?
C26A Co1B C26 Co1B -165(12) 2 . . 2 ?
C28 Co1B C26 Co1B 171(12) . . . 2 ?
P2 Co1B C26 Co1B -98(12) 2 . . 2 ?
C29 Co1B C26 Co1B 127(12) . . . 2 ?
C27 Co1B C26 Co1B -151(12) . . . 2 ?
P1 Co1B C26 Co1B -164(15) 2 . . 2 ?
C26A Co1B C26 Co1B 90(12) . . . 2 ?
P3 Co1B C26 Co1B -58(11) . . . 2 ?
C29 C26 C27 C26A 176.6(3) 2 . . 2 ?
C28 C26 C27 C26A 17.0(6) 2 . . 2 ?
C26A C26 C27 C26A 5.13(14) . . . 2 ?
C27 C26 C27 C26A 5.39(13) 2 . . 2 ?
Co1B C26 C27 C26A 68.2(7) 2 . . 2 ?
Co1B C26 C27 C26A 64.8(7) . . . 2 ?
C28 C26 C27 C29 -159.6(5) 2 . . 2 ?
C26A C26 C27 C29 -171.4(3) . . . 2 ?
C26A C26 C27 C29 -176.6(3) 2 . . 2 ?
C27 C26 C27 C29 -171.2(3) 2 . . 2 ?
Co1B C26 C27 C29 -108.3(7) 2 . . 2 ?
Co1B C26 C27 C29 -111.8(7) . . . 2 ?
C29 C26 C27 C28 171.4(3) 2 . . . ?
C28 C26 C27 C28 11.9(6) 2 . . . ?
C26A C26 C27 C28 0.0 . . . . ?
C26A C26 C27 C28 -5.13(14) 2 . . . ?
C27 C26 C27 C28 0.3 2 . . . ?
Co1B C26 C27 C28 63.1(7) 2 . . . ?
Co1B C26 C27 C28 59.6(7) . . . . ?
C29 C26 C27 C26 173.7(4) 2 . . 2 ?
C28 C26 C27 C26 14.2(7) 2 . . 2 ?
C26A C26 C27 C26 2.3(4) . . . 2 ?
C26A C26 C27 C26 -2.8(4) 2 . . 2 ?
C27 C26 C27 C26 2.6(4) 2 . . 2 ?
Co1B C26 C27 C26 65.4(7) 2 . . 2 ?
Co1B C26 C27 C26 61.9(6) . . . 2 ?
C29 C26 C27 Co1B 111.8(7) 2 . . . ?
C28 C26 C27 Co1B -47.8(9) 2 . . . ?
C26A C26 C27 Co1B -59.6(7) . . . . ?
C26A C26 C27 Co1B -64.8(7) 2 . . . ?
C27 C26 C27 Co1B -59.4(7) 2 . . . ?
Co1B C26 C27 Co1B 3.5(12) 2 . . . ?
C29 C26 C27 Co1B 108.3(7) 2 . . 2 ?
C28 C26 C27 Co1B -51.2(9) 2 . . 2 ?
C26A C26 C27 Co1B -63.1(7) . . . 2 ?
C26A C26 C27 Co1B -68.2(7) 2 . . 2 ?
C27 C26 C27 Co1B -62.8(7) 2 . . 2 ?
Co1B C26 C27 Co1B -3.5(12) . . . 2 ?
Co1B Co1B C27 C26A -149(9) 2 . . 2 ?
C26 Co1B C27 C26A -32.1(12) 2 . . 2 ?
P3 Co1B C27 C26A -6(3) 2 . . 2 ?
C28 Co1B C27 C26A -5.4(15) . . . 2 ?
P2 Co1B C27 C26A 100.0(16) 2 . . 2 ?
C29 Co1B C27 C26A -43.7(15) . . . 2 ?
C26 Co1B C27 C26A -123.7(14) . . . 2 ?
P1 Co1B C27 C26A 50.1(17) 2 . . 2 ?
C26A Co1B C27 C26A -86.8(15) . . . 2 ?
P3 Co1B C27 C26A 146.5(16) . . . 2 ?
Co1B Co1B C27 C29 -3(9) 2 . . 2 ?
C26 Co1B C27 C29 113.8(10) 2 . . 2 ?
P3 Co1B C27 C29 140(2) 2 . . 2 ?
C26A Co1B C27 C29 146(2) 2 . . 2 ?
C28 Co1B C27 C29 140.6(8) . . . 2 ?
P2 Co1B C27 C29 -114.1(8) 2 . . 2 ?
C29 Co1B C27 C29 102.3(8) . . . 2 ?
C26 Co1B C27 C29 22.3(8) . . . 2 ?
P1 Co1B C27 C29 -164.0(12) 2 . . 2 ?
C26A Co1B C27 C29 59.1(8) . . . 2 ?
P3 Co1B C27 C29 -67.6(8) . . . 2 ?
Co1B Co1B C27 C28 -143(9) 2 . . . ?
C26 Co1B C27 C28 -26.8(5) 2 . . . ?
P3 Co1B C27 C28 -1(2) 2 . . . ?
C26A Co1B C27 C28 5.4(15) 2 . . . ?
P2 Co1B C27 C28 105.3(7) 2 . . . ?
C29 Co1B C27 C28 -38.3(2) . . . . ?
C26 Co1B C27 C28 -118.4(4) . . . . ?
P1 Co1B C27 C28 55.4(8) 2 . . . ?
C26A Co1B C27 C28 -81.5(4) . . . . ?
P3 Co1B C27 C28 151.8(8) . . . . ?
Co1B Co1B C27 C26 -25(9) 2 . . . ?
C26 Co1B C27 C26 91.6(6) 2 . . . ?
P3 Co1B C27 C26 117(2) 2 . . . ?
C26A Co1B C27 C26 123.7(14) 2 . . . ?
C28 Co1B C27 C26 118.4(4) . . . . ?
P2 Co1B C27 C26 -136.3(7) 2 . . . ?
C29 Co1B C27 C26 80.0(4) . . . . ?
P1 Co1B C27 C26 173.8(12) 2 . . . ?
C26A Co1B C27 C26 36.9(2) . . . . ?
P3 Co1B C27 C26 -89.8(6) . . . . ?
Co1B Co1B C27 C26 -117(9) 2 . . 2 ?
P3 Co1B C27 C26 26(2) 2 . . 2 ?
C26A Co1B C27 C26 32.1(12) 2 . . 2 ?
C28 Co1B C27 C26 26.8(5) . . . 2 ?
P2 Co1B C27 C26 132.1(9) 2 . . 2 ?
C29 Co1B C27 C26 -11.5(5) . . . 2 ?
C26 Co1B C27 C26 -91.6(6) . . . 2 ?
P1 Co1B C27 C26 82.2(10) 2 . . 2 ?
C26A Co1B C27 C26 -54.7(6) . . . 2 ?
P3 Co1B C27 C26 178.6(10) . . . 2 ?
C26 Co1B C27 Co1B 117(9) 2 . . 2 ?
P3 Co1B C27 Co1B 143(11) 2 . . 2 ?
C26A Co1B C27 Co1B 149(9) 2 . . 2 ?
C28 Co1B C27 Co1B 143(9) . . . 2 ?
P2 Co1B C27 Co1B -111(9) 2 . . 2 ?
C29 Co1B C27 Co1B 105(9) . . . 2 ?
C26 Co1B C27 Co1B 25(9) . . . 2 ?
P1 Co1B C27 Co1B -161(10) 2 . . 2 ?
C26A Co1B C27 Co1B 62(9) . . . 2 ?
P3 Co1B C27 Co1B -65(9) . . . 2 ?
C26A C27 C28 C26 -146(5) 2 . . 2 ?
C29 C27 C28 C26 9.9(8) 2 . . 2 ?
C26 C27 C28 C26 5.3(8) . . . 2 ?
Co1B C27 C28 C26 66.4(11) . . . 2 ?
Co1B C27 C28 C26 61.8(11) 2 . . 2 ?
C29 C27 C28 C26A 156(5) 2 . . 2 ?
C26 C27 C28 C26A 152(5) . . . 2 ?
C26 C27 C28 C26A 146(5) 2 . . 2 ?
Co1B C27 C28 C26A -147(5) . . . 2 ?
Co1B C27 C28 C26A -152(5) 2 . . 2 ?
C26A C27 C28 C29 -152(5) 2 . . . ?
C29 C27 C28 C29 4.58(10) 2 . . . ?
C26 C27 C28 C29 0.0 . . . . ?
C26 C27 C28 C29 -5.3(8) 2 . . . ?
Co1B C27 C28 C29 61.1(7) . . . . ?
Co1B C27 C28 C29 56.5(6) 2 . . . ?
C26A C27 C28 Co1B 147(5) 2 . . . ?
C29 C27 C28 Co1B -56.5(7) 2 . . . ?
C26 C27 C28 Co1B -61.1(7) . . . . ?
C26 C27 C28 Co1B -66.4(11) 2 . . . ?
Co1B C27 C28 Co1B -4.6(12) 2 . . . ?
C26A C27 C28 Co1B 152(5) 2 . . 2 ?
C29 C27 C28 Co1B -51.9(6) 2 . . 2 ?
C26 C27 C28 Co1B -56.5(6) . . . 2 ?
C26 C27 C28 Co1B -61.8(11) 2 . . 2 ?
Co1B C27 C28 Co1B 4.6(12) . . . 2 ?
Co1B Co1B C28 C26 -65(14) 2 . . 2 ?
P3 Co1B C28 C26 67.1(12) 2 . . 2 ?
C26A Co1B C28 C26 -115.1(13) 2 . . 2 ?
P2 Co1B C28 C26 168.1(11) 2 . . 2 ?
C29 Co1B C28 C26 5.7(8) . . . 2 ?
C27 Co1B C28 C26 -112.4(9) . . . 2 ?
C26 Co1B C28 C26 -74.6(9) . . . 2 ?
P1 Co1B C28 C26 115.2(12) 2 . . 2 ?
C26A Co1B C28 C26 -31.6(9) . . . 2 ?
P3 Co1B C28 C26 -149.4(12) . . . 2 ?
Co1B Co1B C28 C26A 50(14) 2 . . 2 ?
C26 Co1B C28 C26A 115.1(13) 2 . . 2 ?
P3 Co1B C28 C26A -177.7(12) 2 . . 2 ?
P2 Co1B C28 C26A -76.8(10) 2 . . 2 ?
C29 Co1B C28 C26A 120.9(7) . . . 2 ?
C27 Co1B C28 C26A 2.7(8) . . . 2 ?
C26 Co1B C28 C26A 40.5(9) . . . 2 ?
P1 Co1B C28 C26A -129.7(11) 2 . . 2 ?
C26A Co1B C28 C26A 83.5(8) . . . 2 ?
P3 Co1B C28 C26A -34.3(11) . . . 2 ?
Co1B Co1B C28 C27 47(14) 2 . . . ?
C26 Co1B C28 C27 112.4(9) 2 . . . ?
P3 Co1B C28 C27 179.5(11) 2 . . . ?
C26A Co1B C28 C27 -2.7(8) 2 . . . ?
P2 Co1B C28 C27 -79.5(8) 2 . . . ?
C29 Co1B C28 C27 118.2(3) . . . . ?
C26 Co1B C28 C27 37.8(3) . . . . ?
P1 Co1B C28 C27 -132.4(10) 2 . . . ?
C26A Co1B C28 C27 80.8(4) . . . . ?
P3 Co1B C28 C27 -37.0(8) . . . . ?
Co1B Co1B C28 C29 -71(14) 2 . . . ?
C26 Co1B C28 C29 -5.7(8) 2 . . . ?
P3 Co1B C28 C29 61.4(9) 2 . . . ?
C26A Co1B C28 C29 -120.9(7) 2 . . . ?
P2 Co1B C28 C29 162.3(9) 2 . . . ?
C27 Co1B C28 C29 -118.2(3) . . . . ?
C26 Co1B C28 C29 -80.3(5) . . . . ?
P1 Co1B C28 C29 109.4(9) 2 . . . ?
C26A Co1B C28 C29 -37.3(3) . . . . ?
P3 Co1B C28 C29 -155.1(10) . . . . ?
C26 Co1B C28 Co1B 65(14) 2 . . 2 ?
P3 Co1B C28 Co1B 132(15) 2 . . 2 ?
C26A Co1B C28 Co1B -50(14) 2 . . 2 ?
P2 Co1B C28 Co1B -127(15) 2 . . 2 ?
C29 Co1B C28 Co1B 71(14) . . . 2 ?
C27 Co1B C28 Co1B -47(14) . . . 2 ?
C26 Co1B C28 Co1B -9(14) . . . 2 ?
P1 Co1B C28 Co1B -180(100) 2 . . 2 ?
C26A Co1B C28 Co1B 34(14) . . . 2 ?
P3 Co1B C28 Co1B -84(14) . . . 2 ?
C26A C28 C29 C26 54(8) 2 . . 2 ?
C27 C28 C29 C26 56(8) . . . 2 ?
Co1B C28 C29 C26 117(8) . . . 2 ?
Co1B C28 C29 C26 111(8) 2 . . 2 ?
C26 C28 C29 C27 -57(8) 2 . . 2 ?
C26A C28 C29 C27 -3.02(11) 2 . . 2 ?
C27 C28 C29 C27 -0.5 . . . 2 ?
Co1B C28 C29 C27 60.5(5) . . . 2 ?
Co1B C28 C29 C27 54.7(5) 2 . . 2 ?
C26 C28 C29 C26A -56(8) 2 . . . ?
C26A C28 C29 C26A -2.49(10) 2 . . . ?
C27 C28 C29 C26A 0.0 . . . . ?
Co1B C28 C29 C26A 61.0(5) . . . . ?
Co1B C28 C29 C26A 55.2(5) 2 . . . ?
C26 C28 C29 C26A -54(8) 2 . . 2 ?
C27 C28 C29 C26A 2.49(10) . . . 2 ?
Co1B C28 C29 C26A 63.5(6) . . . 2 ?
Co1B C28 C29 C26A 57.7(5) 2 . . 2 ?
C26 C28 C29 Co1B -117(8) 2 . . . ?
C26A C28 C29 Co1B -63.5(6) 2 . . . ?
C27 C28 C29 Co1B -61.0(5) . . . . ?
Co1B C28 C29 Co1B -5.8(9) 2 . . . ?
C26 C28 C29 Co1B -111(8) 2 . . 2 ?
C26A C28 C29 Co1B -57.7(5) 2 . . 2 ?
C27 C28 C29 Co1B -55.2(5) . . . 2 ?
Co1B C28 C29 Co1B 5.8(9) . . . 2 ?
Co1B Co1B C29 C26 120(10) 2 . . 2 ?
P3 Co1B C29 C26 -131.5(13) 2 . . 2 ?
C26A Co1B C29 C26 20.2(9) 2 . . 2 ?
C28 Co1B C29 C26 -7.2(11) . . . 2 ?
P2 Co1B C29 C26 -34.3(18) 2 . . 2 ?
C27 Co1B C29 C26 31.0(12) . . . 2 ?
C26 Co1B C29 C26 74.5(12) . . . 2 ?
P1 Co1B C29 C26 -82.5(14) 2 . . 2 ?
C26A Co1B C29 C26 111.6(12) . . . 2 ?
P3 Co1B C29 C26 60(4) . . . 2 ?
Co1B Co1B C29 C27 -3(10) 2 . . 2 ?
C26 Co1B C29 C27 -122.8(13) 2 . . 2 ?
P3 Co1B C29 C27 105.7(9) 2 . . 2 ?
C26A Co1B C29 C27 -102.6(7) 2 . . 2 ?
C28 Co1B C29 C27 -130.0(7) . . . 2 ?
P2 Co1B C29 C27 -157.1(15) 2 . . 2 ?
C27 Co1B C29 C27 -91.9(8) . . . 2 ?
C26 Co1B C29 C27 -48.3(8) . . . 2 ?
P1 Co1B C29 C27 154.7(10) 2 . . 2 ?
C26A Co1B C29 C27 -11.2(7) . . . 2 ?
P3 Co1B C29 C27 -62(3) . . . 2 ?
Co1B Co1B C29 C26A 8(10) 2 . . . ?
C26 Co1B C29 C26A -111.6(12) 2 . . . ?
P3 Co1B C29 C26A 116.8(8) 2 . . . ?
C26A Co1B C29 C26A -91.4(6) 2 . . . ?
C28 Co1B C29 C26A -118.8(4) . . . . ?
P2 Co1B C29 C26A -145.9(16) 2 . . . ?
C27 Co1B C29 C26A -80.7(4) . . . . ?
C26 Co1B C29 C26A -37.1(3) . . . . ?
P1 Co1B C29 C26A 165.9(11) 2 . . . ?
P3 Co1B C29 C26A -51(3) . . . . ?
Co1B Co1B C29 C28 127(10) 2 . . . ?
C26 Co1B C29 C28 7.2(11) 2 . . . ?
P3 Co1B C29 C28 -124.3(7) 2 . . . ?
C26A Co1B C29 C28 27.4(6) 2 . . . ?
P2 Co1B C29 C28 -27.1(13) 2 . . . ?
C27 Co1B C29 C28 38.1(3) . . . . ?
C26 Co1B C29 C28 81.7(5) . . . . ?
P1 Co1B C29 C28 -75.3(8) 2 . . . ?
C26A Co1B C29 C28 118.8(4) . . . . ?
P3 Co1B C29 C28 68(3) . . . . ?
Co1B Co1B C29 C26A 100(10) 2 . . 2 ?
C26 Co1B C29 C26A -20.2(9) 2 . . 2 ?
P3 Co1B C29 C26A -151.7(9) 2 . . 2 ?
C28 Co1B C29 C26A -27.4(6) . . . 2 ?
P2 Co1B C29 C26A -54.5(14) 2 . . 2 ?
C27 Co1B C29 C26A 10.8(6) . . . 2 ?
C26 Co1B C29 C26A 54.3(7) . . . 2 ?
P1 Co1B C29 C26A -102.7(10) 2 . . 2 ?
C26A Co1B C29 C26A 91.4(6) . . . 2 ?
P3 Co1B C29 C26A 40(3) . . . 2 ?
C26 Co1B C29 Co1B -120(10) 2 . . 2 ?
P3 Co1B C29 Co1B 109(10) 2 . . 2 ?
C26A Co1B C29 Co1B -100(10) 2 . . 2 ?
C28 Co1B C29 Co1B -127(10) . . . 2 ?
P2 Co1B C29 Co1B -154(11) 2 . . 2 ?
C27 Co1B C29 Co1B -89(10) . . . 2 ?
C26 Co1B C29 Co1B -45(9) . . . 2 ?
P1 Co1B C29 Co1B 158(11) 2 . . 2 ?
C26A Co1B C29 Co1B -8(10) . . . 2 ?
P3 Co1B C29 Co1B -60(8) . . . 2 ?
C26 C29 C26A C27 175.6(11) 2 . . 2 ?
C28 C29 C26A C27 -177.9(2) . . . 2 ?
C26A C29 C26A C27 -179.0(2) 2 . . 2 ?
Co1B C29 C26A C27 -118.6(7) . . . 2 ?
Co1B C29 C26A C27 -117.5(7) 2 . . 2 ?
C26 C29 C26A C28 -14.9(11) 2 . . 2 ?
C27 C29 C26A C28 169.57(18) 2 . . 2 ?
C28 C29 C26A C28 -8.3(3) . . . 2 ?
C26A C29 C26A C28 -9.4(3) 2 . . 2 ?
Co1B C29 C26A C28 50.9(7) . . . 2 ?
Co1B C29 C26A C28 52.0(7) 2 . . 2 ?
C26 C29 C26A C26 -6.6(10) 2 . . . ?
C27 C29 C26A C26 177.9(2) 2 . . . ?
C28 C29 C26A C26 0.0 . . . . ?
C26A C29 C26A C26 -1.1 2 . . . ?
Co1B C29 C26A C26 59.2(7) . . . . ?
Co1B C29 C26A C26 60.3(7) 2 . . . ?
C27 C29 C26A C26 -175.6(11) 2 . . 2 ?
C28 C29 C26A C26 6.6(10) . . . 2 ?
C26A C29 C26A C26 5.5(10) 2 . . 2 ?
Co1B C29 C26A C26 65.8(13) . . . 2 ?
Co1B C29 C26A C26 66.9(14) 2 . . 2 ?
C26 C29 C26A C29 -8.3(10) 2 . . 2 ?
C27 C29 C26A C29 176.1(2) 2 . . 2 ?
C28 C29 C26A C29 -1.8 . . . 2 ?
C26A C29 C26A C29 -2.9 2 . . 2 ?
Co1B C29 C26A C29 57.5(7) . . . 2 ?
Co1B C29 C26A C29 58.6(7) 2 . . 2 ?
C26 C29 C26A Co1B -66.9(14) 2 . . 2 ?
C27 C29 C26A Co1B 117.5(7) 2 . . 2 ?
C28 C29 C26A Co1B -60.3(7) . . . 2 ?
C26A C29 C26A Co1B -61.5(7) 2 . . 2 ?
Co1B C29 C26A Co1B -1.1(13) . . . 2 ?
C26 C29 C26A Co1B -65.8(13) 2 . . . ?
C27 C29 C26A Co1B 118.6(7) 2 . . . ?
C28 C29 C26A Co1B -59.2(7) . . . . ?
C26A C29 C26A Co1B -60.3(7) 2 . . . ?
Co1B C29 C26A Co1B 1.1(13) 2 . . . ?
C29 C26 C26A C27 -8.9(9) 2 . . 2 ?
C28 C26 C26A C27 -168.3(3) 2 . . 2 ?
C27 C26 C26A C27 1.4(2) . . . 2 ?
C26A C26 C26A C27 2.7(2) 2 . . 2 ?
Co1B C26 C26A C27 -64.3(6) 2 . . 2 ?
Co1B C26 C26A C27 -57.1(5) . . . 2 ?
C29 C26 C26A C28 159.4(6) 2 . . 2 ?
C27 C26 C26A C28 169.7(3) . . . 2 ?
C26A C26 C26A C28 171.0(3) 2 . . 2 ?
C27 C26 C26A C28 168.3(3) 2 . . 2 ?
Co1B C26 C26A C28 104.0(6) 2 . . 2 ?
Co1B C26 C26A C28 111.2(5) . . . 2 ?
C29 C26 C26A C29 -10.3(8) 2 . . . ?
C28 C26 C26A C29 -169.7(3) 2 . . . ?
C27 C26 C26A C29 0.0 . . . . ?
C26A C26 C26A C29 1.3 2 . . . ?
C27 C26 C26A C29 -1.4(2) 2 . . . ?
Co1B C26 C26A C29 -65.7(6) 2 . . . ?
Co1B C26 C26A C29 -58.5(5) . . . . ?
C29 C26 C26A C26 -12.7(9) 2 . . 2 ?
C28 C26 C26A C26 -172.2(5) 2 . . 2 ?
C27 C26 C26A C26 -2.4(4) . . . 2 ?
C26A C26 C26A C26 -1.1(4) 2 . . 2 ?
C27 C26 C26A C26 -3.8(4) 2 . . 2 ?
Co1B C26 C26A C26 -68.1(6) 2 . . 2 ?
Co1B C26 C26A C26 -60.9(6) . . . 2 ?
C28 C26 C26A C29 -159.4(6) 2 . . 2 ?
C27 C26 C26A C29 10.3(8) . . . 2 ?
C26A C26 C26A C29 11.6(8) 2 . . 2 ?
C27 C26 C26A C29 8.9(9) 2 . . 2 ?
Co1B C26 C26A C29 -55.4(9) 2 . . 2 ?
Co1B C26 C26A C29 -48.2(9) . . . 2 ?
C29 C26 C26A Co1B 55.4(9) 2 . . 2 ?
C28 C26 C26A Co1B -104.0(6) 2 . . 2 ?
C27 C26 C26A Co1B 65.7(6) . . . 2 ?
C26A C26 C26A Co1B 67.0(6) 2 . . 2 ?
C27 C26 C26A Co1B 64.3(6) 2 . . 2 ?
Co1B C26 C26A Co1B 7.2(10) . . . 2 ?
C29 C26 C26A Co1B 48.2(9) 2 . . . ?
C28 C26 C26A Co1B -111.2(5) 2 . . . ?
C27 C26 C26A Co1B 58.5(5) . . . . ?
C26A C26 C26A Co1B 59.8(5) 2 . . . ?
C27 C26 C26A Co1B 57.1(5) 2 . . . ?
Co1B C26 C26A Co1B -7.2(10) 2 . . . ?
Co1B Co1B C26A C27 -147(11) 2 . . 2 ?
C26 Co1B C26A C27 46.6(15) 2 . . 2 ?
P3 Co1B C26A C27 -43.4(15) 2 . . 2 ?
C26A Co1B C26A C27 91.7(15) 2 . . 2 ?
C28 Co1B C26A C27 62.3(15) . . . 2 ?
P2 Co1B C26A C27 125(3) 2 . . 2 ?
C29 Co1B C26A C27 24.1(15) . . . 2 ?
C27 Co1B C26A C27 106.2(14) . . . 2 ?
C26 Co1B C26A C27 143.5(14) . . . 2 ?
P1 Co1B C26A C27 2(2) 2 . . 2 ?
P3 Co1B C26A C27 -175.7(17) . . . 2 ?
Co1B Co1B C26A C28 39(10) 2 . . 2 ?
C26 Co1B C26A C28 -126.8(12) 2 . . 2 ?
P3 Co1B C26A C28 143.2(10) 2 . . 2 ?
C26A Co1B C26A C28 -81.6(8) 2 . . 2 ?
C28 Co1B C26A C28 -111.1(11) . . . 2 ?
P2 Co1B C26A C28 -49(3) 2 . . 2 ?
C29 Co1B C26A C28 -149.2(10) . . . 2 ?
C27 Co1B C26A C28 -67.1(11) . . . 2 ?
C26 Co1B C26A C28 -29.9(10) . . . 2 ?
P1 Co1B C26A C28 -171.3(17) 2 . . 2 ?
P3 Co1B C26A C28 10.9(13) . . . 2 ?
Co1B Co1B C26A C29 -171(11) 2 . . . ?
C26 Co1B C26A C29 22.5(4) 2 . . . ?
P3 Co1B C26A C29 -67.5(7) 2 . . . ?
C26A Co1B C26A C29 67.6(6) 2 . . . ?
C28 Co1B C26A C29 38.1(3) . . . . ?
P2 Co1B C26A C29 101(2) 2 . . . ?
C27 Co1B C26A C29 82.1(4) . . . . ?
C26 Co1B C26A C29 119.4(4) . . . . ?
P1 Co1B C26A C29 -22.1(14) 2 . . . ?
P3 Co1B C26A C29 160.1(13) . . . . ?
Co1B Co1B C26A C26 69(10) 2 . . . ?
C26 Co1B C26A C26 -96.9(6) 2 . . . ?
P3 Co1B C26A C26 173.1(8) 2 . . . ?
C26A Co1B C26A C26 -51.8(7) 2 . . . ?
C28 Co1B C26A C26 -81.2(5) . . . . ?
P2 Co1B C26A C26 -19(2) 2 . . . ?
C29 Co1B C26A C26 -119.4(4) . . . . ?
C27 Co1B C26A C26 -37.3(3) . . . . ?
P1 Co1B C26A C26 -141.4(17) 2 . . . ?
P3 Co1B C26A C26 40.7(10) . . . . ?
Co1B Co1B C26A C26 166(11) 2 . . 2 ?
P3 Co1B C26A C26 -90.0(8) 2 . . 2 ?
C26A Co1B C26A C26 45.1(6) 2 . . 2 ?
C28 Co1B C26A C26 15.7(4) . . . 2 ?
P2 Co1B C26A C26 78(2) 2 . . 2 ?
C29 Co1B C26A C26 -22.5(4) . . . 2 ?
C27 Co1B C26A C26 59.6(5) . . . 2 ?
C26 Co1B C26A C26 96.9(6) . . . 2 ?
P1 Co1B C26A C26 -44.5(14) 2 . . 2 ?
P3 Co1B C26A C26 137.6(14) . . . 2 ?
Co1B Co1B C26A C29 78(10) 2 . . 2 ?
C26 Co1B C26A C29 -88.7(8) 2 . . 2 ?
P3 Co1B C26A C29 -178.7(9) 2 . . 2 ?
C26A Co1B C26A C29 -43.5(4) 2 . . 2 ?
C28 Co1B C26A C29 -73.0(8) . . . 2 ?
P2 Co1B C26A C29 -11(2) 2 . . 2 ?
C29 Co1B C26A C29 -111.1(7) . . . 2 ?
C27 Co1B C26A C29 -29.0(7) . . . 2 ?
C26 Co1B C26A C29 8.2(6) . . . 2 ?
P1 Co1B C26A C29 -133.2(17) 2 . . 2 ?
P3 Co1B C26A C29 49.0(11) . . . 2 ?
C26 Co1B C26A Co1B -166(11) 2 . . 2 ?
P3 Co1B C26A Co1B 104(10) 2 . . 2 ?
C26A Co1B C26A Co1B -121(11) 2 . . 2 ?
C28 Co1B C26A Co1B -151(11) . . . 2 ?
P2 Co1B C26A Co1B -88(11) 2 . . 2 ?
C29 Co1B C26A Co1B 171(11) . . . 2 ?
C27 Co1B C26A Co1B -107(11) . . . 2 ?
C26 Co1B C26A Co1B -69(10) . . . 2 ?
P1 Co1B C26A Co1B 149(12) 2 . . 2 ?
P3 Co1B C26A Co1B -29(9) . . . 2 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.207
_refine_diff_density_min         -0.793
_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_1
_database_code_depnum_ccdc_archive 'CCDC 1501199'
_audit_update_record             
;
2016-08-29 deposited with the CCDC.
2017-01-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C57 H34 Cl5 Co F20 N4 O11 P3 Yb'
_chemical_formula_weight         1833.01

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_space_group_name_H-M_alt        'C m c m'
_space_group_name_Hall           '-C 2c 2'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, y+1/2, z'

_cell_length_a                   15.8901(4)
_cell_length_b                   19.2041(5)
_cell_length_c                   22.9477(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     7002.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    276.86(10)
_cell_measurement_reflns_used    7885
_cell_measurement_theta_min      3.8170
_cell_measurement_theta_max      29.0100

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3596
_exptl_absorpt_coefficient_mu    1.935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.91606
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41k (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      276.86(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       w-scan
_diffrn_detector_area_resol_mean 5.3127
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14681
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.33
_diffrn_reflns_theta_max         24.99
_reflns_number_total             3282
_reflns_number_gt                3113
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlisPro 1.171.38.41k (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41k (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41k (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0850P)²+97.1311P] 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         3282
_refine_ls_number_parameters     288
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0501
_refine_ls_wR_factor_ref         0.1512
_refine_ls_wR_factor_gt          0.1492
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.112
_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 0.5000 0.57656(2) 0.2500 0.01150(19) Uani 1 4 d S . .
Co1 Co 0.5000 0.35756(8) 0.2500 0.0187(4) Uani 1 4 d S . .
P1 P 0.3883(3) 0.4191(2) 0.2500 0.0205(9) Uani 0.50 2 d SP . 1
P2 P 0.4439(2) 0.42165(16) 0.18238(16) 0.0274(8) Uani 0.50 1 d P . 2
O1 O 0.3944(7) 0.4969(6) 0.2500 0.018(2) Uani 0.50 2 d SP . 1
O2 O 0.4443(5) 0.4992(4) 0.1882(3) 0.0171(17) Uani 0.50 1 d P . 2
N1 N 0.5000 0.6384(3) 0.3391(3) 0.0148(13) Uani 1 2 d S . .
N2 N 0.6293(4) 0.6382(4) 0.2500 0.0171(14) Uani 1 2 d S . .
F1 F 0.7589(3) 0.76306(19) 0.36341(15) 0.0310(9) Uani 1 1 d . . .
F2 F 0.8795(3) 0.7795(2) 0.44347(18) 0.0450(12) Uani 1 1 d . . .
F3 F 0.9023(3) 0.6807(3) 0.52827(18) 0.0451(11) Uani 1 1 d . . .
F4 F 0.8037(3) 0.5663(2) 0.52999(18) 0.0399(11) Uani 1 1 d . . .
F5 F 0.6848(2) 0.54720(19) 0.44739(16) 0.0286(8) Uani 1 1 d . . .
C1 C 0.5692(4) 0.6465(3) 0.3742(2) 0.0161(11) Uani 1 1 d . . .
C2 C 0.6532(4) 0.6442(3) 0.3557(2) 0.0169(12) Uani 1 1 d . . .
C3 C 0.6811(4) 0.6394(3) 0.2975(2) 0.0176(12) Uani 1 1 d . . .
C4 C 0.7680(4) 0.6381(3) 0.2795(2) 0.0190(12) Uani 1 1 d . . .
H4A H 0.8149 0.6374 0.3037 0.023 Uiso 1 1 calc R . .
C5 C 0.5426(4) 0.6601(3) 0.4335(2) 0.0192(12) Uani 1 1 d . . .
H5A H 0.5775 0.6675 0.4654 0.023 Uiso 1 1 calc R . .
C6 C 0.7193(4) 0.6535(3) 0.4014(2) 0.0181(12) Uani 1 1 d . . .
C7 C 0.7694(4) 0.7121(3) 0.4031(3) 0.0226(13) Uani 1 1 d . . .
C8 C 0.8311(4) 0.7219(4) 0.4447(3) 0.0291(15) Uani 1 1 d . . .
C9 C 0.8429(4) 0.6724(4) 0.4871(3) 0.0285(15) Uani 1 1 d . . .
C10 C 0.7924(4) 0.6138(3) 0.4879(3) 0.0270(14) Uani 1 1 d . . .
C11 C 0.7326(4) 0.6049(3) 0.4456(3) 0.0223(13) Uani 1 1 d . . .
O3 O 0.5000 0.4032(5) 0.1222(4) 0.110(6) Uani 1 2 d S . .
C12 C 0.5000 0.4461(7) 0.0767(6) 0.050(3) Uani 1 2 d S . .
H12A H 0.5352 0.4273 0.0466 0.075 Uiso 0.50 1 calc PR . .
H12B H 0.5212 0.4907 0.0885 0.075 Uiso 0.50 1 calc PR . .
H12C H 0.4436 0.4512 0.0623 0.075 Uiso 0.50 1 calc PR . .
O4 O 0.3420(6) 0.3969(3) 0.3129(6) 0.149(6) Uani 1 1 d . . .
C13 C 0.2815(6) 0.4301(5) 0.3372(5) 0.060(3) Uani 1 1 d . . .
H13A H 0.2660 0.4071 0.3728 0.089 Uiso 1 1 calc R . .
H13B H 0.2340 0.4314 0.3114 0.089 Uiso 1 1 calc R . .
H13C H 0.2993 0.4768 0.3457 0.089 Uiso 1 1 calc R . .
C14 C 0.4727(12) 0.2703(15) 0.2984(11) 0.041(7) Uani 0.50 1 d PD . .
H14A H 0.4522 0.2728 0.3363 0.049 Uiso 0.50 1 calc PR . .
C20 C 0.5588(11) 0.2690(9) 0.2795(9) 0.029(5) Uani 0.50 1 d P . .
H20A H 0.6030 0.2573 0.3042 0.035 Uiso 0.50 1 calc PR . .
C15 C 0.4177(18) 0.2711(18) 0.2500 0.041(7) Uani 0.50 2 d SPD . .
H15A H 0.3595 0.2761 0.2500 0.049 Uiso 0.50 2 calc SPR . .
C16A C 0.5000 0.7952(9) 0.2500 0.073(7) Uani 0.40 4 d SP . 1
H16A H 0.5000 0.7644 0.2835 0.088 Uiso 0.20 2 calc SPR . 1
H16B H 0.5000 0.7644 0.2165 0.088 Uiso 0.20 2 calc SPR . 1
Cl1 Cl 0.6046(7) 0.8256(5) 0.2500 0.109(5) Uani 0.40 2 d SP A 1
C16B C 0.5000 0.7952(9) 0.2500 0.073(7) Uani 0.60 4 d SP . 2
H16C H 0.4519 0.7642 0.2500 0.088 Uiso 0.30 2 calc SPR . 2
H16D H 0.5481 0.7642 0.2500 0.088 Uiso 0.30 2 calc SPR . 2
Cl2 Cl 0.5000 0.8206(4) 0.3237(6) 0.215(9) Uani 0.60 2 d SP . 2
C17 C 1.0000 0.5158(14) 0.3336(12) 0.057(7) Uani 0.50 2 d SPD . .
H17A H 1.0000 0.4747 0.3083 0.069 Uiso 0.50 2 calc SPR . .
Cl4 Cl 0.90940(19) 0.5166(3) 0.36968(19) 0.0487(10) Uani 0.50 1 d PD . .
Cl5 Cl 1.0000 0.5902(6) 0.2885(5) 0.102(4) Uani 0.50 2 d SP . .
O5 O 1.0000 0.5256(6) 0.4724(4) 0.064(3) Uani 1 2 d S . .


_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 2.236(8) . ?
Yb1 O2 2.236(8) 10_556 ?
Yb1 O2 2.236(8) 3_655 ?
Yb1 O2 2.236(8) 12_655 ?
Yb1 O1 2.270(11) 3_655 ?
Yb1 O1 2.270(11) . ?
Yb1 N1 2.364(6) . ?
Yb1 N1 2.364(6) 10_556 ?
Yb1 N2 2.371(7) . ?
Yb1 N2 2.371(7) 3_655 ?
Yb1 P2 3.471(3) . ?
Yb1 P2 3.471(3) 10_556 ?
Co1 C14 2.06(3) 10_556 ?
Co1 C14 2.06(3) 12_655 ?
Co1 C14 2.06(3) 3_655 ?
Co1 C14 2.06(3) . ?
Co1 C20 2.055(17) 3_655 ?
Co1 C20 2.055(17) 12_655 ?
Co1 C20 2.055(17) 10_556 ?
Co1 C20 2.055(17) . ?
Co1 C15 2.11(3) 3_655 ?
Co1 C15 2.11(3) . ?
Co1 P1 2.132(5) 3_655 ?
Co1 P1 2.132(4) . ?
P1 O1 1.499(12) . ?
P1 O4 1.675(10) 10_556 ?
P1 O4 1.675(10) . ?
P2 O2 1.495(8) . ?
P2 O3 1.681(8) . ?
P2 O4 1.692(11) 10_556 ?
P2 P2 1.782(8) 12_655 ?
O2 O2 1.771(15) 12_655 ?
N1 C1 1.372(7) . ?
N1 C1 1.372(7) 12_655 ?
N2 C3 1.366(7) . ?
N2 C3 1.366(7) 10_556 ?
F1 C7 1.347(7) . ?
F2 C8 1.348(7) . ?
F3 C9 1.345(7) . ?
F4 C10 1.341(7) . ?
F5 C11 1.344(7) . ?
C1 C2 1.401(8) . ?
C1 C5 1.447(8) . ?
C2 C3 1.410(8) . ?
C2 C6 1.494(8) . ?
C3 C4 1.442(8) . ?
C4 C4 1.353(11) 10_556 ?
C4 H4A 0.9300 . ?
C5 C5 1.355(12) 12_655 ?
C5 H5A 0.9300 . ?
C6 C7 1.380(8) . ?
C6 C11 1.395(8) . ?
C7 C8 1.380(9) . ?
C8 C9 1.374(9) . ?
C9 C10 1.381(9) . ?
C10 C11 1.369(9) . ?
O3 C12 1.330(16) . ?
O3 P2 1.681(8) 12_655 ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
O4 C13 1.282(11) . ?
O4 P2 1.692(11) 10_556 ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C20 0.66(2) 12_655 ?
C14 C14 0.87(4) 12_655 ?
C14 C15 1.412(10) . ?
C14 C20 1.44(3) . ?
C14 C20 1.86(2) 3_655 ?
C14 H14A 0.9300 . ?
C20 C14 0.66(2) 12_655 ?
C20 C15 0.77(2) 3_655 ?
C20 C20 1.35(4) 10_556 ?
C20 C14 1.86(2) 3_655 ?
C20 C20 1.87(3) 12_655 ?
C20 H20A 0.9300 . ?
C15 C20 0.77(2) 12_655 ?
C15 C20 0.77(2) 3_655 ?
C15 C14 1.412(10) 10_556 ?
C15 H15A 0.9300 . ?
C16A Cl1 1.761(12) . ?
C16A Cl1 1.761(12) 3_655 ?
C16A H16A 0.9700 . ?
C16A H16B 0.9700 . ?
C17 Cl4 1.660(13) 12_755 ?
C17 Cl4 1.660(13) . ?
C17 Cl5 1.77(3) . ?
C17 H17A 0.9800 . ?
Cl5 Cl5 1.76(2) 10_556 ?
O5 O5 1.60(2) 9_766 ?

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 78.7(4) . 10_556 ?
O2 Yb1 O2 96.7(4) . 3_655 ?
O2 Yb1 O2 46.7(4) 10_556 3_655 ?
O2 Yb1 O2 46.7(4) . 12_655 ?
O2 Yb1 O2 96.7(4) 10_556 12_655 ?
O2 Yb1 O2 78.7(4) 3_655 12_655 ?
O2 Yb1 O1 81.1(3) . 3_655 ?
O2 Yb1 O1 81.1(3) 10_556 3_655 ?
O2 Yb1 O1 42.3(2) 3_655 3_655 ?
O2 Yb1 O1 42.3(2) 12_655 3_655 ?
O2 Yb1 O1 42.3(2) . . ?
O2 Yb1 O1 42.3(2) 10_556 . ?
O2 Yb1 O1 81.1(3) 3_655 . ?
O2 Yb1 O1 81.1(3) 12_655 . ?
O1 Yb1 O1 95.3(6) 3_655 . ?
O2 Yb1 N1 151.8(2) . . ?
O2 Yb1 N1 77.6(2) 10_556 . ?
O2 Yb1 N1 77.6(2) 3_655 . ?
O2 Yb1 N1 151.8(2) 12_655 . ?
O1 Yb1 N1 109.76(15) 3_655 . ?
O1 Yb1 N1 109.76(14) . . ?
O2 Yb1 N1 77.6(2) . 10_556 ?
O2 Yb1 N1 151.8(2) 10_556 10_556 ?
O2 Yb1 N1 151.8(2) 3_655 10_556 ?
O2 Yb1 N1 77.6(2) 12_655 10_556 ?
O1 Yb1 N1 109.76(15) 3_655 10_556 ?
O1 Yb1 N1 109.76(15) . 10_556 ?
N1 Yb1 N1 119.7(3) . 10_556 ?
O2 Yb1 N2 132.4(2) . . ?
O2 Yb1 N2 132.4(2) 10_556 . ?
O2 Yb1 N2 89.3(2) 3_655 . ?
O2 Yb1 N2 89.3(2) 12_655 . ?
O1 Yb1 N2 72.3(3) 3_655 . ?
O1 Yb1 N2 167.6(3) . . ?
N1 Yb1 N2 75.49(10) . . ?
N1 Yb1 N2 75.49(10) 10_556 . ?
O2 Yb1 N2 89.3(2) . 3_655 ?
O2 Yb1 N2 89.3(2) 10_556 3_655 ?
O2 Yb1 N2 132.4(2) 3_655 3_655 ?
O2 Yb1 N2 132.4(2) 12_655 3_655 ?
O1 Yb1 N2 167.6(3) 3_655 3_655 ?
O1 Yb1 N2 72.3(3) . 3_655 ?
N1 Yb1 N2 75.49(10) . 3_655 ?
N1 Yb1 N2 75.49(10) 10_556 3_655 ?
N2 Yb1 N2 120.1(3) . 3_655 ?
O2 Yb1 P2 17.4(2) . . ?
O2 Yb1 P2 67.2(2) 10_556 . ?
O2 Yb1 P2 79.4(2) 3_655 . ?
O2 Yb1 P2 41.3(2) 12_655 . ?
O1 Yb1 P2 67.2(2) 3_655 . ?
O1 Yb1 P2 39.9(2) . . ?
N1 Yb1 P2 144.76(15) . . ?
N1 Yb1 P2 92.50(16) 10_556 . ?
N2 Yb1 P2 130.54(15) . . ?
N2 Yb1 P2 101.84(16) 3_655 . ?
O2 Yb1 P2 67.2(2) . 10_556 ?
O2 Yb1 P2 17.4(2) 10_556 10_556 ?
O2 Yb1 P2 41.3(2) 3_655 10_556 ?
O2 Yb1 P2 79.4(2) 12_655 10_556 ?
O1 Yb1 P2 67.2(2) 3_655 10_556 ?
O1 Yb1 P2 39.9(2) . 10_556 ?
N1 Yb1 P2 92.50(16) . 10_556 ?
N1 Yb1 P2 144.76(15) 10_556 10_556 ?
N2 Yb1 P2 130.54(15) . 10_556 ?
N2 Yb1 P2 101.84(16) 3_655 10_556 ?
P2 Yb1 P2 53.10(13) . 10_556 ?
C14 Co1 C14 70.8(17) 10_556 12_655 ?
C14 Co1 C14 24.4(10) 10_556 3_655 ?
C14 Co1 C14 65.3(15) 12_655 3_655 ?
C14 Co1 C14 65.3(15) 10_556 . ?
C14 Co1 C14 24.4(10) 12_655 . ?
C14 Co1 C14 70.8(17) 3_655 . ?
C14 Co1 C20 18.5(5) 10_556 3_655 ?
C14 Co1 C20 66.4(7) 12_655 3_655 ?
C14 Co1 C20 40.9(8) 3_655 3_655 ?
C14 Co1 C20 53.7(7) . 3_655 ?
C14 Co1 C20 53.7(7) 10_556 12_655 ?
C14 Co1 C20 40.9(8) 12_655 12_655 ?
C14 Co1 C20 66.4(7) 3_655 12_655 ?
C14 Co1 C20 18.5(5) . 12_655 ?
C20 Co1 C20 38.5(11) 3_655 12_655 ?
C14 Co1 C20 40.9(8) 10_556 10_556 ?
C14 Co1 C20 53.7(7) 12_655 10_556 ?
C14 Co1 C20 18.5(5) 3_655 10_556 ?
C14 Co1 C20 66.4(7) . 10_556 ?
C20 Co1 C20 54.1(10) 3_655 10_556 ?
C20 Co1 C20 68.3(11) 12_655 10_556 ?
C14 Co1 C20 66.4(7) 10_556 . ?
C14 Co1 C20 18.5(5) 12_655 . ?
C14 Co1 C20 53.7(7) 3_655 . ?
C14 Co1 C20 40.9(8) . . ?
C20 Co1 C20 68.3(11) 3_655 . ?
C20 Co1 C20 54.1(10) 12_655 . ?
C20 Co1 C20 38.5(11) 10_556 . ?
C14 Co1 C15 59.3(8) 10_556 3_655 ?
C14 Co1 C15 39.6(3) 12_655 3_655 ?
C14 Co1 C15 39.6(3) 3_655 3_655 ?
C14 Co1 C15 59.3(8) . 3_655 ?
C20 Co1 C15 68.3(11) 3_655 3_655 ?
C20 Co1 C15 68.3(11) 12_655 3_655 ?
C20 Co1 C15 21.3(6) 10_556 3_655 ?
C20 Co1 C15 21.3(6) . 3_655 ?
C14 Co1 C15 39.6(3) 10_556 . ?
C14 Co1 C15 59.3(8) 12_655 . ?
C14 Co1 C15 59.3(8) 3_655 . ?
C14 Co1 C15 39.6(3) . . ?
C20 Co1 C15 21.3(6) 3_655 . ?
C20 Co1 C15 21.3(6) 12_655 . ?
C20 Co1 C15 68.3(11) 10_556 . ?
C20 Co1 C15 68.3(11) . . ?
C15 Co1 C15 76.4(17) 3_655 . ?
C14 Co1 P1 128.8(4) 10_556 3_655 ?
C14 Co1 P1 106.0(7) 12_655 3_655 ?
C14 Co1 P1 106.0(7) 3_655 3_655 ?
C14 Co1 P1 128.8(4) . 3_655 ?
C20 Co1 P1 146.8(5) 3_655 3_655 ?
C20 Co1 P1 146.8(5) 12_655 3_655 ?
C20 Co1 P1 94.6(5) 10_556 3_655 ?
C20 Co1 P1 94.6(5) . 3_655 ?
C15 Co1 P1 85.4(9) 3_655 3_655 ?
C15 Co1 P1 161.8(9) . 3_655 ?
C14 Co1 P1 106.0(7) 10_556 . ?
C14 Co1 P1 128.8(4) 12_655 . ?
C14 Co1 P1 128.8(4) 3_655 . ?
C14 Co1 P1 106.0(7) . . ?
C20 Co1 P1 94.6(5) 3_655 . ?
C20 Co1 P1 94.6(5) 12_655 . ?
C20 Co1 P1 146.8(5) 10_556 . ?
C20 Co1 P1 146.8(5) . . ?
C15 Co1 P1 161.8(9) 3_655 . ?
C15 Co1 P1 85.4(9) . . ?
P1 Co1 P1 112.7(2) 3_655 . ?
O1 P1 O4 106.4(3) . 10_556 ?
O1 P1 O4 106.4(3) . . ?
O4 P1 O4 119.0(9) 10_556 . ?
O1 P1 Co1 119.9(5) . . ?
O4 P1 Co1 103.0(4) 10_556 . ?
O4 P1 Co1 103.0(4) . . ?
O1 P1 Yb1 26.7(4) . . ?
O4 P1 Yb1 116.2(4) 10_556 . ?
O4 P1 Yb1 116.2(4) . . ?
Co1 P1 Yb1 93.23(15) . . ?
O2 P2 O3 106.4(5) . . ?
O2 P2 O4 106.1(4) . 10_556 ?
O3 P2 O4 120.0(5) . 10_556 ?
O2 P2 P2 89.8(3) . 12_655 ?
O3 P2 P2 58.00(19) . 12_655 ?
O4 P2 P2 163.2(2) 10_556 12_655 ?
O2 P2 Co1 119.9(3) . . ?
O3 P2 Co1 104.5(3) . . ?
O4 P2 Co1 100.8(4) 10_556 . ?
P2 P2 Co1 65.78(10) 12_655 . ?
O2 P2 Yb1 26.6(3) . . ?
O3 P2 Yb1 114.3(3) . . ?
O4 P2 Yb1 117.3(4) 10_556 . ?
P2 P2 Yb1 75.13(6) 12_655 . ?
Co1 P2 Yb1 93.50(11) . . ?
P1 O1 Yb1 136.0(7) . . ?
P2 O2 O2 90.2(3) . 12_655 ?
P2 O2 Yb1 136.1(5) . . ?
O2 O2 Yb1 66.7(2) 12_655 . ?
C1 N1 C1 106.5(6) . 12_655 ?
C1 N1 Yb1 124.4(3) . . ?
C1 N1 Yb1 124.4(3) 12_655 . ?
C3 N2 C3 105.9(7) . 10_556 ?
C3 N2 Yb1 122.1(4) . . ?
C3 N2 Yb1 122.1(4) 10_556 . ?
N1 C1 C2 125.6(5) . . ?
N1 C1 C5 109.8(5) . . ?
C2 C1 C5 124.6(5) . . ?
C1 C2 C3 126.0(5) . . ?
C1 C2 C6 117.0(5) . . ?
C3 C2 C6 116.8(5) . . ?
N2 C3 C2 124.6(5) . . ?
N2 C3 C4 110.3(5) . . ?
C2 C3 C4 125.0(5) . . ?
C4 C4 C3 106.7(3) 10_556 . ?
C4 C4 H4A 126.7 10_556 . ?
C3 C4 H4A 126.7 . . ?
C5 C5 C1 106.9(3) 12_655 . ?
C5 C5 H5A 126.5 12_655 . ?
C1 C5 H5A 126.5 . . ?
C7 C6 C11 115.9(5) . . ?
C7 C6 C2 121.5(5) . . ?
C11 C6 C2 122.5(5) . . ?
F1 C7 C6 120.1(5) . . ?
F1 C7 C8 117.2(5) . . ?
C6 C7 C8 122.7(6) . . ?
F2 C8 C9 120.3(6) . . ?
F2 C8 C7 120.2(6) . . ?
C9 C8 C7 119.5(6) . . ?
F3 C9 C8 120.7(6) . . ?
F3 C9 C10 119.8(6) . . ?
C8 C9 C10 119.5(6) . . ?
F4 C10 C11 121.2(6) . . ?
F4 C10 C9 119.0(6) . . ?
C11 C10 C9 119.8(6) . . ?
F5 C11 C10 118.4(5) . . ?
F5 C11 C6 119.2(5) . . ?
C10 C11 C6 122.5(6) . . ?
C12 O3 P2 120.9(7) . 12_655 ?
C12 O3 P2 120.9(7) . . ?
P2 O3 P2 64.0(4) 12_655 . ?
O3 C12 H12A 109.5 . . ?
O3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C13 O4 P1 125.3(9) . . ?
C13 O4 P2 123.4(9) . 10_556 ?
P1 O4 P2 64.1(3) . 10_556 ?
O4 C13 H13A 109.5 . . ?
O4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C20 C14 C14 139(4) 12_655 12_655 ?
C20 C14 C15 11(2) 12_655 . ?
C14 C14 C15 128.2(17) 12_655 . ?
C20 C14 C20 121(5) 12_655 . ?
C14 C14 C20 17.6(14) 12_655 . ?
C15 C14 C20 111(3) . . ?
C20 C14 C20 33(3) 12_655 3_655 ?
C14 C14 C20 105.6(9) 12_655 3_655 ?
C15 C14 C20 22.6(12) . 3_655 ?
C20 C14 C20 88(2) . 3_655 ?
C20 C14 Co1 81(3) 12_655 . ?
C14 C14 Co1 77.8(5) 12_655 . ?
C15 C14 Co1 72(2) . . ?
C20 C14 Co1 69.5(16) . . ?
C20 C14 Co1 63.1(10) 3_655 . ?
C20 C14 H14A 110.5 12_655 . ?
C14 C14 H14A 110.5 12_655 . ?
C15 C14 H14A 121.2 . . ?
C20 C14 H14A 128.1 . . ?
C20 C14 H14A 143.8 3_655 . ?
Co1 C14 H14A 122.4 . . ?
C14 C20 C15 159(4) 12_655 3_655 ?
C14 C20 C20 131(4) 12_655 10_556 ?
C15 C20 C20 29(2) 3_655 10_556 ?
C14 C20 C14 23(3) 12_655 . ?
C15 C20 C14 136(2) 3_655 . ?
C20 C20 C14 107.6(14) 10_556 . ?
C14 C20 C14 115(5) 12_655 3_655 ?
C15 C20 C14 45(2) 3_655 3_655 ?
C20 C20 C14 15.6(9) 10_556 3_655 ?
C14 C20 C14 92(2) . 3_655 ?
C14 C20 C20 41(4) 12_655 12_655 ?
C15 C20 C20 119(2) 3_655 12_655 ?
C20 C20 C20 90.000(5) 10_556 12_655 ?
C14 C20 C20 17.6(14) . 12_655 ?
C14 C20 C20 74.4(9) 3_655 12_655 ?
C14 C20 Co1 81(3) 12_655 . ?
C15 C20 Co1 84(2) 3_655 . ?
C20 C20 Co1 70.8(6) 10_556 . ?
C14 C20 Co1 69.7(14) . . ?
C14 C20 Co1 63.2(12) 3_655 . ?
C20 C20 Co1 63.0(5) 12_655 . ?
C14 C20 H20A 100.4 12_655 . ?
C15 C20 H20A 100.4 3_655 . ?
C20 C20 H20A 127.5 10_556 . ?
C14 C20 H20A 122.7 . . ?
C14 C20 H20A 142.4 3_655 . ?
C20 C20 H20A 139.1 12_655 . ?
Co1 C20 H20A 138.1 . . ?
C20 C15 C20 122(4) 12_655 3_655 ?
C20 C15 C14 10(2) 12_655 . ?
C20 C15 C14 113(3) 3_655 . ?
C20 C15 C14 113(3) 12_655 10_556 ?
C20 C15 C14 10(2) 3_655 10_556 ?
C14 C15 C14 104(3) . 10_556 ?
C20 C15 Co1 75(2) 12_655 . ?
C20 C15 Co1 75(2) 3_655 . ?
C14 C15 Co1 68.0(19) . . ?
C14 C15 Co1 68.0(19) 10_556 . ?
C20 C15 H15A 119.0 12_655 . ?
C20 C15 H15A 119.0 3_655 . ?
C14 C15 H15A 128.0 . . ?
C14 C15 H15A 128.0 10_556 . ?
Co1 C15 H15A 122.2 . . ?
Cl1 C16A Cl1 141.3(12) . 3_655 ?
Cl1 C16A H16A 101.7 . . ?
Cl1 C16A H16A 101.7 3_655 . ?
Cl1 C16A H16B 101.7 . . ?
Cl1 C16A H16B 101.7 3_655 . ?
H16A C16A H16B 104.7 . . ?
Cl4 C17 Cl4 120.2(16) 12_755 . ?
Cl4 C17 Cl5 106.6(10) 12_755 . ?
Cl4 C17 Cl5 106.6(10) . . ?
Cl4 C17 H17A 107.6 12_755 . ?
Cl4 C17 H17A 107.6 . . ?
Cl5 C17 H17A 107.6 . . ?
Cl5 Cl5 C17 126.0(10) 10_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
C14 Co1 P1 O1 -145.8(7) 10_556 . . . ?
C14 Co1 P1 O1 136.1(11) 12_655 . . . ?
C14 Co1 P1 O1 -136.1(11) 3_655 . . . ?
C14 Co1 P1 O1 145.8(7) . . . . ?
C20 Co1 P1 O1 -160.7(6) 3_655 . . . ?
C20 Co1 P1 O1 160.7(6) 12_655 . . . ?
C20 Co1 P1 O1 -143.0(10) 10_556 . . . ?
C20 Co1 P1 O1 143.0(10) . . . . ?
C15 Co1 P1 O1 180.0 3_655 . . . ?
C15 Co1 P1 O1 180.0 . . . . ?
P1 Co1 P1 O1 0.0 3_655 . . . ?
C14 Co1 P1 O4 -28.0(8) 10_556 . . 10_556 ?
C14 Co1 P1 O4 -106.0(12) 12_655 . . 10_556 ?
C14 Co1 P1 O4 -18.3(12) 3_655 . . 10_556 ?
C14 Co1 P1 O4 -96.3(8) . . . 10_556 ?
C20 Co1 P1 O4 -42.9(7) 3_655 . . 10_556 ?
C20 Co1 P1 O4 -81.4(7) 12_655 . . 10_556 ?
C20 Co1 P1 O4 -25.2(11) 10_556 . . 10_556 ?
C20 Co1 P1 O4 -99.1(11) . . . 10_556 ?
C15 Co1 P1 O4 -62.1(4) 3_655 . . 10_556 ?
C15 Co1 P1 O4 -62.1(4) . . . 10_556 ?
P1 Co1 P1 O4 117.9(4) 3_655 . . 10_556 ?
C14 Co1 P1 O4 96.3(8) 10_556 . . . ?
C14 Co1 P1 O4 18.3(12) 12_655 . . . ?
C14 Co1 P1 O4 106.0(12) 3_655 . . . ?
C14 Co1 P1 O4 28.0(8) . . . . ?
C20 Co1 P1 O4 81.4(7) 3_655 . . . ?
C20 Co1 P1 O4 42.9(7) 12_655 . . . ?
C20 Co1 P1 O4 99.1(11) 10_556 . . . ?
C20 Co1 P1 O4 25.2(11) . . . . ?
C15 Co1 P1 O4 62.1(4) 3_655 . . . ?
C15 Co1 P1 O4 62.1(4) . . . . ?
P1 Co1 P1 O4 -117.9(4) 3_655 . . . ?
C14 Co1 P1 Yb1 -145.8(7) 10_556 . . . ?
C14 Co1 P1 Yb1 136.1(11) 12_655 . . . ?
C14 Co1 P1 Yb1 -136.1(11) 3_655 . . . ?
C14 Co1 P1 Yb1 145.8(7) . . . . ?
C20 Co1 P1 Yb1 -160.7(6) 3_655 . . . ?
C20 Co1 P1 Yb1 160.7(6) 12_655 . . . ?
C20 Co1 P1 Yb1 -143.0(10) 10_556 . . . ?
C20 Co1 P1 Yb1 143.0(10) . . . . ?
C15 Co1 P1 Yb1 180.0 3_655 . . . ?
C15 Co1 P1 Yb1 180.0 . . . . ?
P1 Co1 P1 Yb1 0.0 3_655 . . . ?
O2 Yb1 P1 O1 -89.5(3) . . . . ?
O2 Yb1 P1 O1 89.5(3) 10_556 . . . ?
O2 Yb1 P1 O1 136.9(2) 3_655 . . . ?
O2 Yb1 P1 O1 -136.9(2) 12_655 . . . ?
O1 Yb1 P1 O1 180.0 3_655 . . . ?
N1 Yb1 P1 O1 73.63(10) . . . . ?
N1 Yb1 P1 O1 -73.63(10) 10_556 . . . ?
N2 Yb1 P1 O1 180.0 . . . . ?
N2 Yb1 P1 O1 0.0 3_655 . . . ?
P2 Yb1 P1 O1 -115.42(16) . . . . ?
P2 Yb1 P1 O1 115.42(16) 10_556 . . . ?
O2 Yb1 P1 O4 -15.7(5) . . . 10_556 ?
O2 Yb1 P1 O4 163.3(6) 10_556 . . 10_556 ?
O2 Yb1 P1 O4 -149.3(5) 3_655 . . 10_556 ?
O2 Yb1 P1 O4 -63.1(5) 12_655 . . 10_556 ?
O1 Yb1 P1 O4 -106.2(5) 3_655 . . 10_556 ?
O1 Yb1 P1 O4 73.8(5) . . . 10_556 ?
N1 Yb1 P1 O4 147.5(4) . . . 10_556 ?
N1 Yb1 P1 O4 0.2(5) 10_556 . . 10_556 ?
N2 Yb1 P1 O4 -106.2(5) . . . 10_556 ?
N2 Yb1 P1 O4 73.8(5) 3_655 . . 10_556 ?
P2 Yb1 P1 O4 -41.6(4) . . . 10_556 ?
P2 Yb1 P1 O4 -170.8(5) 10_556 . . 10_556 ?
O2 Yb1 P1 O4 -163.3(6) . . . . ?
O2 Yb1 P1 O4 15.7(5) 10_556 . . . ?
O2 Yb1 P1 O4 63.1(5) 3_655 . . . ?
O2 Yb1 P1 O4 149.3(5) 12_655 . . . ?
O1 Yb1 P1 O4 106.2(5) 3_655 . . . ?
O1 Yb1 P1 O4 -73.8(5) . . . . ?
N1 Yb1 P1 O4 -0.2(5) . . . . ?
N1 Yb1 P1 O4 -147.5(5) 10_556 . . . ?
N2 Yb1 P1 O4 106.2(5) . . . . ?
N2 Yb1 P1 O4 -73.8(5) 3_655 . . . ?
P2 Yb1 P1 O4 170.8(5) . . . . ?
P2 Yb1 P1 O4 41.6(4) 10_556 . . . ?
O2 Yb1 P1 Co1 90.5(3) . . . . ?
O2 Yb1 P1 Co1 -90.5(3) 10_556 . . . ?
O2 Yb1 P1 Co1 -43.1(2) 3_655 . . . ?
O2 Yb1 P1 Co1 43.1(2) 12_655 . . . ?
O1 Yb1 P1 Co1 0.0 3_655 . . . ?
O1 Yb1 P1 Co1 180.0 . . . . ?
N1 Yb1 P1 Co1 -106.37(10) . . . . ?
N1 Yb1 P1 Co1 106.37(10) 10_556 . . . ?
N2 Yb1 P1 Co1 0.0 . . . . ?
N2 Yb1 P1 Co1 180.0 3_655 . . . ?
P2 Yb1 P1 Co1 64.58(16) . . . . ?
P2 Yb1 P1 Co1 -64.58(16) 10_556 . . . ?
C14 Co1 P2 O2 -177.8(6) 10_556 . . . ?
C14 Co1 P2 O2 163.4(13) 12_655 . . . ?
C14 Co1 P2 O2 -155.5(8) 3_655 . . . ?
C14 Co1 P2 O2 133.1(14) . . . . ?
C20 Co1 P2 O2 163.9(7) 3_655 . . . ?
C20 Co1 P2 O2 136.5(8) 12_655 . . . ?
C20 Co1 P2 O2 -144.8(7) 10_556 . . . ?
C20 Co1 P2 O2 -152.3(12) . . . . ?
C15 Co1 P2 O2 -134.2(13) 3_655 . . . ?
C15 Co1 P2 O2 144.1(8) . . . . ?
P1 Co1 P2 O2 -49.0(4) 3_655 . . . ?
P1 Co1 P2 O2 70.2(4) . . . . ?
C14 Co1 P2 O3 -58.8(5) 10_556 . . . ?
C14 Co1 P2 O3 -77.6(13) 12_655 . . . ?
C14 Co1 P2 O3 -36.5(8) 3_655 . . . ?
C14 Co1 P2 O3 -107.9(14) . . . . ?
C20 Co1 P2 O3 -77.1(6) 3_655 . . . ?
C20 Co1 P2 O3 -104.5(7) 12_655 . . . ?
C20 Co1 P2 O3 -25.8(7) 10_556 . . . ?
C20 Co1 P2 O3 -33.3(12) . . . . ?
C15 Co1 P2 O3 -15.2(13) 3_655 . . . ?
C15 Co1 P2 O3 -96.9(7) . . . . ?
P1 Co1 P2 O3 70.0(3) 3_655 . . . ?
P1 Co1 P2 O3 -170.8(4) . . . . ?
C14 Co1 P2 O4 66.3(6) 10_556 . . 10_556 ?
C14 Co1 P2 O4 47.5(14) 12_655 . . 10_556 ?
C14 Co1 P2 O4 88.6(8) 3_655 . . 10_556 ?
C14 Co1 P2 O4 17.3(14) . . . 10_556 ?
C20 Co1 P2 O4 48.1(6) 3_655 . . 10_556 ?
C20 Co1 P2 O4 20.7(8) 12_655 . . 10_556 ?
C20 Co1 P2 O4 99.3(7) 10_556 . . 10_556 ?
C20 Co1 P2 O4 91.8(12) . . . 10_556 ?
C15 Co1 P2 O4 110.0(13) 3_655 . . 10_556 ?
C15 Co1 P2 O4 28.3(8) . . . 10_556 ?
P1 Co1 P2 O4 -164.9(4) 3_655 . . 10_556 ?
P1 Co1 P2 O4 -45.7(4) . . . 10_556 ?
C14 Co1 P2 P2 -103.1(4) 10_556 . . 12_655 ?
C14 Co1 P2 P2 -121.9(13) 12_655 . . 12_655 ?
C14 Co1 P2 P2 -80.8(7) 3_655 . . 12_655 ?
C14 Co1 P2 P2 -152.2(13) . . . 12_655 ?
C20 Co1 P2 P2 -121.3(5) 3_655 . . 12_655 ?
C20 Co1 P2 P2 -148.7(7) 12_655 . . 12_655 ?
C20 Co1 P2 P2 -70.1(6) 10_556 . . 12_655 ?
C20 Co1 P2 P2 -77.6(12) . . . 12_655 ?
C15 Co1 P2 P2 -59.4(12) 3_655 . . 12_655 ?
C15 Co1 P2 P2 -141.1(7) . . . 12_655 ?
P1 Co1 P2 P2 25.73(9) 3_655 . . 12_655 ?
P1 Co1 P2 P2 144.92(15) . . . 12_655 ?
C14 Co1 P2 Yb1 -175.1(4) 10_556 . . . ?
C14 Co1 P2 Yb1 166.1(13) 12_655 . . . ?
C14 Co1 P2 Yb1 -152.7(7) 3_655 . . . ?
C14 Co1 P2 Yb1 135.9(13) . . . . ?
C20 Co1 P2 Yb1 166.7(5) 3_655 . . . ?
C20 Co1 P2 Yb1 139.3(7) 12_655 . . . ?
C20 Co1 P2 Yb1 -142.0(6) 10_556 . . . ?
C20 Co1 P2 Yb1 -149.6(11) . . . . ?
C15 Co1 P2 Yb1 -131.4(12) 3_655 . . . ?
C15 Co1 P2 Yb1 146.9(7) . . . . ?
P1 Co1 P2 Yb1 -46.24(11) 3_655 . . . ?
P1 Co1 P2 Yb1 72.95(16) . . . . ?
O2 Yb1 P2 O2 129.0(9) 10_556 . . . ?
O2 Yb1 P2 O2 176.3(5) 3_655 . . . ?
O2 Yb1 P2 O2 -98.9(10) 12_655 . . . ?
O1 Yb1 P2 O2 -141.3(7) 3_655 . . . ?
O1 Yb1 P2 O2 87.5(8) . . . . ?
N1 Yb1 P2 O2 126.4(7) . . . . ?
N1 Yb1 P2 O2 -30.9(7) 10_556 . . . ?
N2 Yb1 P2 O2 -103.9(7) . . . . ?
N2 Yb1 P2 O2 44.8(7) 3_655 . . . ?
P2 Yb1 P2 O2 140.8(7) 10_556 . . . ?
O2 Yb1 P2 O3 77.8(8) . . . . ?
O2 Yb1 P2 O3 -153.2(4) 10_556 . . . ?
O2 Yb1 P2 O3 -106.0(4) 3_655 . . . ?
O2 Yb1 P2 O3 -21.1(4) 12_655 . . . ?
O1 Yb1 P2 O3 -63.5(3) 3_655 . . . ?
O1 Yb1 P2 O3 165.2(4) . . . . ?
N1 Yb1 P2 O3 -155.9(3) . . . . ?
N1 Yb1 P2 O3 46.9(3) 10_556 . . . ?
N2 Yb1 P2 O3 -26.1(3) . . . . ?
N2 Yb1 P2 O3 122.6(3) 3_655 . . . ?
P2 Yb1 P2 O3 -141.4(3) 10_556 . . . ?
O2 Yb1 P2 O4 -70.6(8) . . . 10_556 ?
O2 Yb1 P2 O4 58.4(5) 10_556 . . 10_556 ?
O2 Yb1 P2 O4 105.7(5) 3_655 . . 10_556 ?
O2 Yb1 P2 O4 -169.5(6) 12_655 . . 10_556 ?
O1 Yb1 P2 O4 148.1(5) 3_655 . . 10_556 ?
O1 Yb1 P2 O4 16.9(5) . . . 10_556 ?
N1 Yb1 P2 O4 55.8(5) . . . 10_556 ?
N1 Yb1 P2 O4 -101.5(5) 10_556 . . 10_556 ?
N2 Yb1 P2 O4 -174.5(5) . . . 10_556 ?
N2 Yb1 P2 O4 -25.8(5) 3_655 . . 10_556 ?
P2 Yb1 P2 O4 70.2(5) 10_556 . . 10_556 ?
O2 Yb1 P2 P2 121.5(7) . . . 12_655 ?
O2 Yb1 P2 P2 -109.4(2) 10_556 . . 12_655 ?
O2 Yb1 P2 P2 -62.2(2) 3_655 . . 12_655 ?
O2 Yb1 P2 P2 22.7(3) 12_655 . . 12_655 ?
O1 Yb1 P2 P2 -19.74(15) 3_655 . . 12_655 ?
O1 Yb1 P2 P2 -151.0(3) . . . 12_655 ?
N1 Yb1 P2 P2 -112.08(15) . . . 12_655 ?
N1 Yb1 P2 P2 90.66(4) 10_556 . . 12_655 ?
N2 Yb1 P2 P2 17.68(13) . . . 12_655 ?
N2 Yb1 P2 P2 166.36(8) 3_655 . . 12_655 ?
P2 Yb1 P2 P2 -97.63(3) 10_556 . . 12_655 ?
O2 Yb1 P2 Co1 -174.7(8) . . . . ?
O2 Yb1 P2 Co1 -45.6(2) 10_556 . . . ?
O2 Yb1 P2 Co1 1.6(2) 3_655 . . . ?
O2 Yb1 P2 Co1 86.5(3) 12_655 . . . ?
O1 Yb1 P2 Co1 44.06(17) 3_655 . . . ?
O1 Yb1 P2 Co1 -87.2(3) . . . . ?
N1 Yb1 P2 Co1 -48.3(2) . . . . ?
N1 Yb1 P2 Co1 154.46(12) 10_556 . . . ?
N2 Yb1 P2 Co1 81.48(19) . . . . ?
N2 Yb1 P2 Co1 -129.84(13) 3_655 . . . ?
P2 Yb1 P2 Co1 -33.83(14) 10_556 . . . ?
O4 P1 O1 Yb1 -116.1(5) 10_556 . . . ?
O4 P1 O1 Yb1 116.1(5) . . . . ?
Co1 P1 O1 Yb1 0.0 . . . . ?
O2 Yb1 O1 P1 70.5(4) . . . . ?
O2 Yb1 O1 P1 -70.5(4) 10_556 . . . ?
O2 Yb1 O1 P1 -39.9(2) 3_655 . . . ?
O2 Yb1 O1 P1 39.9(2) 12_655 . . . ?
O1 Yb1 O1 P1 0.0 3_655 . . . ?
N1 Yb1 O1 P1 -113.22(16) . . . . ?
N1 Yb1 O1 P1 113.22(16) 10_556 . . . ?
N2 Yb1 O1 P1 0.0 . . . . ?
N2 Yb1 O1 P1 180.0 3_655 . . . ?
P2 Yb1 O1 P1 44.1(2) . . . . ?
P2 Yb1 O1 P1 -44.1(2) 10_556 . . . ?
O3 P2 O2 O2 -56.4(2) . . . 12_655 ?
O4 P2 O2 O2 174.7(5) 10_556 . . 12_655 ?
P2 P2 O2 O2 0.0 12_655 . . 12_655 ?
Co1 P2 O2 O2 61.6(3) . . . 12_655 ?
Yb1 P2 O2 O2 55.5(6) . . . 12_655 ?
O3 P2 O2 Yb1 -111.9(6) . . . . ?
O4 P2 O2 Yb1 119.2(8) 10_556 . . . ?
P2 P2 O2 Yb1 -55.5(6) 12_655 . . . ?
Co1 P2 O2 Yb1 6.2(9) . . . . ?
O2 Yb1 O2 P2 -46.9(8) 10_556 . . . ?
O2 Yb1 O2 P2 -3.7(5) 3_655 . . . ?
O2 Yb1 O2 P2 63.8(7) 12_655 . . . ?
O1 Yb1 O2 P2 35.7(7) 3_655 . . . ?
O1 Yb1 O2 P2 -72.5(8) . . . . ?
N1 Yb1 O2 P2 -79.9(9) . . . . ?
N1 Yb1 O2 P2 148.3(7) 10_556 . . . ?
N2 Yb1 O2 P2 91.6(7) . . . . ?
N2 Yb1 O2 P2 -136.4(7) 3_655 . . . ?
P2 Yb1 O2 P2 -33.2(6) 10_556 . . . ?
O2 Yb1 O2 O2 -110.7(2) 10_556 . . 12_655 ?
O2 Yb1 O2 O2 -67.5(2) 3_655 . . 12_655 ?
O1 Yb1 O2 O2 -28.1(2) 3_655 . . 12_655 ?
O1 Yb1 O2 O2 -136.3(4) . . . 12_655 ?
N1 Yb1 O2 O2 -143.7(5) . . . 12_655 ?
N1 Yb1 O2 O2 84.56(12) 10_556 . . 12_655 ?
N2 Yb1 O2 O2 27.8(2) . . . 12_655 ?
N2 Yb1 O2 O2 159.85(13) 3_655 . . 12_655 ?
P2 Yb1 O2 O2 -63.8(7) . . . 12_655 ?
P2 Yb1 O2 O2 -97.00(13) 10_556 . . 12_655 ?
O2 Yb1 N1 C1 133.3(5) . . . . ?
O2 Yb1 N1 C1 100.1(6) 10_556 . . . ?
O2 Yb1 N1 C1 52.3(5) 3_655 . . . ?
O2 Yb1 N1 C1 19.1(8) 12_655 . . . ?
O1 Yb1 N1 C1 24.4(6) 3_655 . . . ?
O1 Yb1 N1 C1 128.0(5) . . . . ?
N1 Yb1 N1 C1 -103.8(5) 10_556 . . . ?
N2 Yb1 N1 C1 -40.3(5) . . . . ?
N2 Yb1 N1 C1 -167.3(6) 3_655 . . . ?
P2 Yb1 N1 C1 102.6(4) . . . . ?
P2 Yb1 N1 C1 91.1(5) 10_556 . . . ?
O2 Yb1 N1 C1 -19.1(8) . . . 12_655 ?
O2 Yb1 N1 C1 -52.3(5) 10_556 . . 12_655 ?
O2 Yb1 N1 C1 -100.1(6) 3_655 . . 12_655 ?
O2 Yb1 N1 C1 -133.3(5) 12_655 . . 12_655 ?
O1 Yb1 N1 C1 -128.0(5) 3_655 . . 12_655 ?
O1 Yb1 N1 C1 -24.4(6) . . . 12_655 ?
N1 Yb1 N1 C1 103.8(5) 10_556 . . 12_655 ?
N2 Yb1 N1 C1 167.3(6) . . . 12_655 ?
N2 Yb1 N1 C1 40.3(5) 3_655 . . 12_655 ?
P2 Yb1 N1 C1 -49.8(6) . . . 12_655 ?
P2 Yb1 N1 C1 -61.3(5) 10_556 . . 12_655 ?
O2 Yb1 N2 C3 -129.5(5) . . . . ?
O2 Yb1 N2 C3 -11.2(7) 10_556 . . . ?
O2 Yb1 N2 C3 -31.0(5) 3_655 . . . ?
O2 Yb1 N2 C3 -109.7(5) 12_655 . . . ?
O1 Yb1 N2 C3 -70.3(5) 3_655 . . . ?
O1 Yb1 N2 C3 -70.3(5) . . . . ?
N1 Yb1 N2 C3 46.4(5) . . . . ?
N1 Yb1 N2 C3 173.0(6) 10_556 . . . ?
N2 Yb1 N2 C3 109.7(5) 3_655 . . . ?
P2 Yb1 N2 C3 -106.4(5) . . . . ?
P2 Yb1 N2 C3 -34.3(6) 10_556 . . . ?
O2 Yb1 N2 C3 11.2(7) . . . 10_556 ?
O2 Yb1 N2 C3 129.5(5) 10_556 . . 10_556 ?
O2 Yb1 N2 C3 109.7(5) 3_655 . . 10_556 ?
O2 Yb1 N2 C3 31.0(5) 12_655 . . 10_556 ?
O1 Yb1 N2 C3 70.3(5) 3_655 . . 10_556 ?
O1 Yb1 N2 C3 70.3(5) . . . 10_556 ?
N1 Yb1 N2 C3 -173.0(6) . . . 10_556 ?
N1 Yb1 N2 C3 -46.4(5) 10_556 . . 10_556 ?
N2 Yb1 N2 C3 -109.7(5) 3_655 . . 10_556 ?
P2 Yb1 N2 C3 34.3(6) . . . 10_556 ?
P2 Yb1 N2 C3 106.4(5) 10_556 . . 10_556 ?
C1 N1 C1 C2 -178.1(4) 12_655 . . . ?
Yb1 N1 C1 C2 25.4(9) . . . . ?
C1 N1 C1 C5 0.0(8) 12_655 . . . ?
Yb1 N1 C1 C5 -156.5(4) . . . . ?
N1 C1 C2 C3 5.9(10) . . . . ?
C5 C1 C2 C3 -171.9(6) . . . . ?
N1 C1 C2 C6 -179.3(6) . . . . ?
C5 C1 C2 C6 2.9(9) . . . . ?
C3 N2 C3 C2 174.8(4) 10_556 . . . ?
Yb1 N2 C3 C2 -39.1(8) . . . . ?
C3 N2 C3 C4 -2.8(8) 10_556 . . . ?
Yb1 N2 C3 C4 143.2(4) . . . . ?
C1 C2 C3 N2 1.9(10) . . . . ?
C6 C2 C3 N2 -172.9(6) . . . . ?
C1 C2 C3 C4 179.2(6) . . . . ?
C6 C2 C3 C4 4.4(9) . . . . ?
N2 C3 C4 C4 1.8(5) . . . 10_556 ?
C2 C3 C4 C4 -175.8(5) . . . 10_556 ?
N1 C1 C5 C5 0.0(5) . . . 12_655 ?
C2 C1 C5 C5 178.1(5) . . . 12_655 ?
C1 C2 C6 C7 -111.6(7) . . . . ?
C3 C2 C6 C7 63.7(8) . . . . ?
C1 C2 C6 C11 66.6(8) . . . . ?
C3 C2 C6 C11 -118.2(6) . . . . ?
C11 C6 C7 F1 -177.6(5) . . . . ?
C2 C6 C7 F1 0.7(9) . . . . ?
C11 C6 C7 C8 2.0(9) . . . . ?
C2 C6 C7 C8 -179.8(6) . . . . ?
F1 C7 C8 F2 -2.0(10) . . . . ?
C6 C7 C8 F2 178.5(6) . . . . ?
F1 C7 C8 C9 178.2(6) . . . . ?
C6 C7 C8 C9 -1.3(10) . . . . ?
F2 C8 C9 F3 0.4(10) . . . . ?
C7 C8 C9 F3 -179.8(6) . . . . ?
F2 C8 C9 C10 179.7(6) . . . . ?
C7 C8 C9 C10 -0.5(10) . . . . ?
F3 C9 C10 F4 0.2(10) . . . . ?
C8 C9 C10 F4 -179.1(6) . . . . ?
F3 C9 C10 C11 -179.2(6) . . . . ?
C8 C9 C10 C11 1.5(10) . . . . ?
F4 C10 C11 F5 0.3(10) . . . . ?
C9 C10 C11 F5 179.7(6) . . . . ?
F4 C10 C11 C6 179.8(6) . . . . ?
C9 C10 C11 C6 -0.8(10) . . . . ?
C7 C6 C11 F5 178.6(6) . . . . ?
C2 C6 C11 F5 0.4(9) . . . . ?
C7 C6 C11 C10 -0.9(9) . . . . ?
C2 C6 C11 C10 -179.1(6) . . . . ?
O2 P2 O3 C12 -32.8(7) . . . . ?
O4 P2 O3 C12 87.5(7) 10_556 . . . ?
P2 P2 O3 C12 -112.0(7) 12_655 . . . ?
Co1 P2 O3 C12 -160.6(5) . . . . ?
Yb1 P2 O3 C12 -59.9(6) . . . . ?
O2 P2 O3 P2 79.1(4) . . . 12_655 ?
O4 P2 O3 P2 -160.5(3) 10_556 . . 12_655 ?
Co1 P2 O3 P2 -48.6(3) . . . 12_655 ?
Yb1 P2 O3 P2 52.1(3) . . . 12_655 ?
O1 P1 O4 C13 38.6(14) . . . . ?
O4 P1 O4 C13 -81.4(12) 10_556 . . . ?
Co1 P1 O4 C13 165.6(11) . . . . ?
Yb1 P1 O4 C13 65.4(13) . . . . ?
O1 P1 O4 P2 -75.3(5) . . . 10_556 ?
O4 P1 O4 P2 164.7(4) 10_556 . . 10_556 ?
Co1 P1 O4 P2 51.7(2) . . . 10_556 ?
Yb1 P1 O4 P2 -48.5(3) . . . 10_556 ?
C14 Co1 C14 C20 -47(4) 10_556 . . 12_655 ?
C14 Co1 C14 C20 -145(4) 12_655 . . 12_655 ?
C14 Co1 C14 C20 -73(4) 3_655 . . 12_655 ?
C20 Co1 C14 C20 -30(3) 3_655 . . 12_655 ?
C20 Co1 C14 C20 -92(4) 10_556 . . 12_655 ?
C20 Co1 C14 C20 -129(5) . . . 12_655 ?
C15 Co1 C14 C20 -115(4) 3_655 . . 12_655 ?
C15 Co1 C14 C20 -8(3) . . . 12_655 ?
P1 Co1 C14 C20 -168(3) 3_655 . . 12_655 ?
P1 Co1 C14 C20 54(4) . . . 12_655 ?
C14 Co1 C14 C14 98.0(5) 10_556 . . 12_655 ?
C14 Co1 C14 C14 72.3(6) 3_655 . . 12_655 ?
C20 Co1 C14 C14 114.7(8) 3_655 . . 12_655 ?
C20 Co1 C14 C14 145(4) 12_655 . . 12_655 ?
C20 Co1 C14 C14 53.0(7) 10_556 . . 12_655 ?
C20 Co1 C14 C14 16.2(15) . . . 12_655 ?
C15 Co1 C14 C14 30.3(11) 3_655 . . 12_655 ?
C15 Co1 C14 C14 137.0(17) . . . 12_655 ?
P1 Co1 C14 C14 -23.1(5) 3_655 . . 12_655 ?
P1 Co1 C14 C14 -161.4(4) . . . 12_655 ?
C14 Co1 C14 C15 -39(2) 10_556 . . . ?
C14 Co1 C14 C15 -137.0(17) 12_655 . . . ?
C14 Co1 C14 C15 -65(2) 3_655 . . . ?
C20 Co1 C14 C15 -22.3(14) 3_655 . . . ?
C20 Co1 C14 C15 8(3) 12_655 . . . ?
C20 Co1 C14 C15 -84(2) 10_556 . . . ?
C20 Co1 C14 C15 -121(3) . . . . ?
C15 Co1 C14 C15 -107(3) 3_655 . . . ?
P1 Co1 C14 C15 -160.2(13) 3_655 . . . ?
P1 Co1 C14 C15 62(2) . . . . ?
C14 Co1 C14 C20 81.8(12) 10_556 . . . ?
C14 Co1 C14 C20 -16.2(15) 12_655 . . . ?
C14 Co1 C14 C20 56.1(16) 3_655 . . . ?
C20 Co1 C14 C20 99(2) 3_655 . . . ?
C20 Co1 C14 C20 129(5) 12_655 . . . ?
C20 Co1 C14 C20 36.8(15) 10_556 . . . ?
C15 Co1 C14 C20 14.1(11) 3_655 . . . ?
C15 Co1 C14 C20 121(3) . . . . ?
P1 Co1 C14 C20 -39(2) 3_655 . . . ?
P1 Co1 C14 C20 -177.6(12) . . . . ?
C14 Co1 C14 C20 -16.8(12) 10_556 . . 3_655 ?
C14 Co1 C14 C20 -114.7(8) 12_655 . . 3_655 ?
C14 Co1 C14 C20 -42.4(10) 3_655 . . 3_655 ?
C20 Co1 C14 C20 30(3) 12_655 . . 3_655 ?
C20 Co1 C14 C20 -61.7(14) 10_556 . . 3_655 ?
C20 Co1 C14 C20 -99(2) . . . 3_655 ?
C15 Co1 C14 C20 -84.4(16) 3_655 . . 3_655 ?
C15 Co1 C14 C20 22.3(14) . . . 3_655 ?
P1 Co1 C14 C20 -137.8(6) 3_655 . . 3_655 ?
P1 Co1 C14 C20 83.8(11) . . . 3_655 ?
C20 C14 C20 C14 179.999(19) 12_655 . . 12_655 ?
C15 C14 C20 C14 177(3) . . . 12_655 ?
C20 C14 C20 C14 178(4) 3_655 . . 12_655 ?
Co1 C14 C20 C14 116(5) . . . 12_655 ?
C20 C14 C20 C15 8(8) 12_655 . . 3_655 ?
C14 C14 C20 C15 -172(8) 12_655 . . 3_655 ?
C15 C14 C20 C15 5(5) . . . 3_655 ?
C20 C14 C20 C15 6(5) 3_655 . . 3_655 ?
Co1 C14 C20 C15 -56(4) . . . 3_655 ?
C20 C14 C20 C20 3(6) 12_655 . . 10_556 ?
C14 C14 C20 C20 -177(6) 12_655 . . 10_556 ?
C15 C14 C20 C20 0(3) . . . 10_556 ?
C20 C14 C20 C20 1.0(18) 3_655 . . 10_556 ?
Co1 C14 C20 C20 -60.9(8) . . . 10_556 ?
C20 C14 C20 C14 4(7) 12_655 . . 3_655 ?
C14 C14 C20 C14 -176(7) 12_655 . . 3_655 ?
C15 C14 C20 C14 1(4) . . . 3_655 ?
C20 C14 C20 C14 1(3) 3_655 . . 3_655 ?
Co1 C14 C20 C14 -60.5(15) . . . 3_655 ?
C14 C14 C20 C20 180.001(7) 12_655 . . 12_655 ?
C15 C14 C20 C20 -3(3) . . . 12_655 ?
C20 C14 C20 C20 -2(4) 3_655 . . 12_655 ?
Co1 C14 C20 C20 -64(5) . . . 12_655 ?
C20 C14 C20 Co1 64(5) 12_655 . . . ?
C14 C14 C20 Co1 -116(5) 12_655 . . . ?
C15 C14 C20 Co1 61(3) . . . . ?
C20 C14 C20 Co1 61.9(12) 3_655 . . . ?
C14 Co1 C20 C14 -100(4) 10_556 . . 12_655 ?
C14 Co1 C20 C14 -124(5) 3_655 . . 12_655 ?
C14 Co1 C20 C14 -21(3) . . . 12_655 ?
C20 Co1 C20 C14 -80(4) 3_655 . . 12_655 ?
C20 Co1 C20 C14 -39(4) 12_655 . . 12_655 ?
C20 Co1 C20 C14 -139(4) 10_556 . . 12_655 ?
C15 Co1 C20 C14 -166(5) 3_655 . . 12_655 ?
C15 Co1 C20 C14 -57(4) . . . 12_655 ?
P1 Co1 C20 C14 129(4) 3_655 . . 12_655 ?
P1 Co1 C20 C14 -17(5) . . . 12_655 ?
C14 Co1 C20 C15 66(3) 10_556 . . 3_655 ?
C14 Co1 C20 C15 166(5) 12_655 . . 3_655 ?
C14 Co1 C20 C15 42(2) 3_655 . . 3_655 ?
C14 Co1 C20 C15 145(3) . . . 3_655 ?
C20 Co1 C20 C15 86(3) 3_655 . . 3_655 ?
C20 Co1 C20 C15 127(2) 12_655 . . 3_655 ?
C20 Co1 C20 C15 27(2) 10_556 . . 3_655 ?
C15 Co1 C20 C15 109(3) . . . 3_655 ?
P1 Co1 C20 C15 -65(2) 3_655 . . 3_655 ?
P1 Co1 C20 C15 149(2) . . . 3_655 ?
C14 Co1 C20 C20 39.1(7) 10_556 . . 10_556 ?
C14 Co1 C20 C20 139(4) 12_655 . . 10_556 ?
C14 Co1 C20 C20 14.9(12) 3_655 . . 10_556 ?
C14 Co1 C20 C20 118.1(14) . . . 10_556 ?
C20 Co1 C20 C20 59.0(9) 3_655 . . 10_556 ?
C20 Co1 C20 C20 100.2(4) 12_655 . . 10_556 ?
C15 Co1 C20 C20 -27(2) 3_655 . . 10_556 ?
C15 Co1 C20 C20 82.0(5) . . . 10_556 ?
P1 Co1 C20 C20 -91.61(19) 3_655 . . 10_556 ?
P1 Co1 C20 C20 122.2(10) . . . 10_556 ?
C14 Co1 C20 C14 -79.0(18) 10_556 . . . ?
C14 Co1 C20 C14 21(3) 12_655 . . . ?
C14 Co1 C20 C14 -103(2) 3_655 . . . ?
C20 Co1 C20 C14 -59.0(15) 3_655 . . . ?
C20 Co1 C20 C14 -17.8(17) 12_655 . . . ?
C20 Co1 C20 C14 -118.1(14) 10_556 . . . ?
C15 Co1 C20 C14 -145(3) 3_655 . . . ?
C15 Co1 C20 C14 -36.0(16) . . . . ?
P1 Co1 C20 C14 150.3(14) 3_655 . . . ?
P1 Co1 C20 C14 4(2) . . . . ?
C14 Co1 C20 C14 24.2(11) 10_556 . . 3_655 ?
C14 Co1 C20 C14 124(5) 12_655 . . 3_655 ?
C14 Co1 C20 C14 103(2) . . . 3_655 ?
C20 Co1 C20 C14 44.1(13) 3_655 . . 3_655 ?
C20 Co1 C20 C14 85.3(10) 12_655 . . 3_655 ?
C20 Co1 C20 C14 -14.9(12) 10_556 . . 3_655 ?
C15 Co1 C20 C14 -42(2) 3_655 . . 3_655 ?
C15 Co1 C20 C14 67.1(10) . . . 3_655 ?
P1 Co1 C20 C14 -106.5(11) 3_655 . . 3_655 ?
P1 Co1 C20 C14 107.3(8) . . . 3_655 ?
C14 Co1 C20 C20 -61.2(8) 10_556 . . 12_655 ?
C14 Co1 C20 C20 39(4) 12_655 . . 12_655 ?
C14 Co1 C20 C20 -85.3(10) 3_655 . . 12_655 ?
C14 Co1 C20 C20 17.8(17) . . . 12_655 ?
C20 Co1 C20 C20 -41.2(10) 3_655 . . 12_655 ?
C20 Co1 C20 C20 -100.2(4) 10_556 . . 12_655 ?
C15 Co1 C20 C20 -127(2) 3_655 . . 12_655 ?
C15 Co1 C20 C20 -18.2(6) . . . 12_655 ?
P1 Co1 C20 C20 168.1(3) 3_655 . . 12_655 ?
P1 Co1 C20 C20 22.0(6) . . . 12_655 ?
C14 C14 C15 C20 166(13) 12_655 . . 12_655 ?
C20 C14 C15 C20 165(14) . . . 12_655 ?
C20 C14 C15 C20 163(14) 3_655 . . 12_655 ?
Co1 C14 C15 C20 -136(13) . . . 12_655 ?
C20 C14 C15 C20 -163(14) 12_655 . . 3_655 ?
C14 C14 C15 C20 4(5) 12_655 . . 3_655 ?
C20 C14 C15 C20 3(5) . . . 3_655 ?
Co1 C14 C15 C20 62(3) . . . 3_655 ?
C20 C14 C15 C14 -165(12) 12_655 . . 10_556 ?
C14 C14 C15 C14 1(5) 12_655 . . 10_556 ?
C20 C14 C15 C14 0(5) . . . 10_556 ?
C20 C14 C15 C14 -3(2) 3_655 . . 10_556 ?
Co1 C14 C15 C14 59(3) . . . 10_556 ?
C20 C14 C15 Co1 136(13) 12_655 . . . ?
C14 C14 C15 Co1 -57.9(18) 12_655 . . . ?
C20 C14 C15 Co1 -59(2) . . . . ?
C20 C14 C15 Co1 -62(3) 3_655 . . . ?
C14 Co1 C15 C20 123(3) 10_556 . . 12_655 ?
C14 Co1 C15 C20 26.0(19) 12_655 . . 12_655 ?
C14 Co1 C15 C20 104(3) 3_655 . . 12_655 ?
C14 Co1 C15 C20 7(2) . . . 12_655 ?
C20 Co1 C15 C20 130(4) 3_655 . . 12_655 ?
C20 Co1 C15 C20 86(3) 10_556 . . 12_655 ?
C20 Co1 C15 C20 44(2) . . . 12_655 ?
C15 Co1 C15 C20 65(2) 3_655 . . 12_655 ?
P1 Co1 C15 C20 65(2) 3_655 . . 12_655 ?
P1 Co1 C15 C20 -115(2) . . . 12_655 ?
C14 Co1 C15 C20 -7(2) 10_556 . . 3_655 ?
C14 Co1 C15 C20 -104(3) 12_655 . . 3_655 ?
C14 Co1 C15 C20 -26.0(19) 3_655 . . 3_655 ?
C14 Co1 C15 C20 -123(3) . . . 3_655 ?
C20 Co1 C15 C20 -130(4) 12_655 . . 3_655 ?
C20 Co1 C15 C20 -44(2) 10_556 . . 3_655 ?
C20 Co1 C15 C20 -86(3) . . . 3_655 ?
C15 Co1 C15 C20 -65(2) 3_655 . . 3_655 ?
P1 Co1 C15 C20 -65(2) 3_655 . . 3_655 ?
P1 Co1 C15 C20 115(2) . . . 3_655 ?
C14 Co1 C15 C14 116(4) 10_556 . . . ?
C14 Co1 C15 C14 19.1(12) 12_655 . . . ?
C14 Co1 C15 C14 97(3) 3_655 . . . ?
C20 Co1 C15 C14 123(3) 3_655 . . . ?
C20 Co1 C15 C14 -7(2) 12_655 . . . ?
C20 Co1 C15 C14 79(2) 10_556 . . . ?
C20 Co1 C15 C14 37(2) . . . . ?
C15 Co1 C15 C14 57.9(19) 3_655 . . . ?
P1 Co1 C15 C14 57.9(19) 3_655 . . . ?
P1 Co1 C15 C14 -122.1(19) . . . . ?
C14 Co1 C15 C14 -97(3) 12_655 . . 10_556 ?
C14 Co1 C15 C14 -19.1(12) 3_655 . . 10_556 ?
C14 Co1 C15 C14 -116(4) . . . 10_556 ?
C20 Co1 C15 C14 7(2) 3_655 . . 10_556 ?
C20 Co1 C15 C14 -123(3) 12_655 . . 10_556 ?
C20 Co1 C15 C14 -37(2) 10_556 . . 10_556 ?
C20 Co1 C15 C14 -79(2) . . . 10_556 ?
C15 Co1 C15 C14 -57.9(19) 3_655 . . 10_556 ?
P1 Co1 C15 C14 -57.9(19) 3_655 . . 10_556 ?
P1 Co1 C15 C14 122.1(19) . . . 10_556 ?
Cl4 C17 Cl5 Cl5 115.2(11) 12_755 . . 10_556 ?
Cl4 C17 Cl5 Cl5 -115.2(11) . . . 10_556 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        24.99
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.922
_refine_diff_density_min         -1.773
_refine_diff_density_rms         0.182
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CHCl3/hexane'
####################################################################### 
# 
# 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_1_160123
_database_code_depnum_ccdc_archive 'CCDC 1501200'
_audit_update_record             
;
2016-08-27 deposited with the CCDC.
2017-01-05 downloaded from the CCDC.
;
_audit_creation_date             2016-01-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C55 D18 Co F8 H25 N4 O9 P3 Yb'
_chemical_formula_sum            'C55 H25 Co D18 F8 N4 O9 P3 Yb'
_chemical_formula_weight         1398.92
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C55 H25 D18 Co1 F8 N4 O9 P3 Yb1'
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'
D D 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.2948(3)
_cell_length_b                   14.0793(3)
_cell_length_c                   16.6204(4)
_cell_angle_alpha                72.8693(19)
_cell_angle_beta                 73.873(2)
_cell_angle_gamma                77.720(2)
_cell_volume                     2614.22(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    18644
_cell_measurement_temperature    180.01(10)
_cell_measurement_theta_max      30.0650
_cell_measurement_theta_min      3.4110
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.278
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91501
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1374
_exptl_crystal_size_max          0.2537
_exptl_crystal_size_mid          0.1366
_exptl_crystal_size_min          0.0816
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            39776
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         27.452
_diffrn_reflns_theta_min         2.722
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      180.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3914
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    6.00   74.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       13.4628 -131.0000  -43.1593 68

#__ type_ start__ end____ width___ exp.time_
  2 omega    7.00   76.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       13.4628 -133.0000   54.6193 69

#__ type_ start__ end____ width___ exp.time_
  3 omega  -73.00  100.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       13.4628    0.0000   60.0000 173

#__ type_ start__ end____ width___ exp.time_
  4 omega  -13.00   88.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       13.4628   38.0000  150.0000 101

#__ type_ start__ end____ width___ exp.time_
  5 omega  -12.00   89.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       13.4628   38.0000 -120.0000 101

#__ type_ start__ end____ width___ exp.time_
  6 omega   29.00   71.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       13.4628 -125.0000 -165.3238 42

#__ type_ start__ end____ width___ exp.time_
  7 omega  -20.00   27.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.5566  -99.0000  -60.0000 47
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0135563000
_diffrn_orient_matrix_UB_12      0.0292475000
_diffrn_orient_matrix_UB_13      0.0306009000
_diffrn_orient_matrix_UB_21      -0.0574751000
_diffrn_orient_matrix_UB_22      -0.0094297000
_diffrn_orient_matrix_UB_23      0.0117323000
_diffrn_orient_matrix_UB_31      0.0139345000
_diffrn_orient_matrix_UB_32      -0.0435024000
_diffrn_orient_matrix_UB_33      0.0321255000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10320
_reflns_number_total             11924
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         12.480
_refine_diff_density_min         -3.451
_refine_diff_density_rms         0.244
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     736
_refine_ls_number_reflns         11924
_refine_ls_number_restraints     96
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0762
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0963P)²+45.1004P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
_refine_ls_wR_factor_ref         0.1999
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(F24) \\sim Ueq, Uanis(F16) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.02
Uanis(O9) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15)
\\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C12) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(C9) \\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F24) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.01
Uanis(C1AA) \\sim Ueq, Uanis(C2AA) \\sim Ueq, Uanis(C0AA) \\sim Ueq,
Uanis(C143) \\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C55) \\sim Ueq: with sigma
of 0.2 and sigma for terminal atoms of 0.02
Uanis(C55) \\sim Ueq, Uanis(C2AA) \\sim Ueq, Uanis(C1AA) \\sim Ueq, Uanis(C0AA)
\\sim Ueq, Uanis(C143) \\sim Ueq, Uanis(C90) \\sim Ueq: with sigma of 0.02 and
sigma for terminal atoms of 0.02
Uanis(O25) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C3AA(H3AA), C20(H20), C30(H30), C37(H37), C48(H48), C53(H53), C55(H55),
 C76(H76), C78(H78), C79(H79), C83(H83), C86(H86), C88(H88), C91(H91), C97(H97),
  C99(H99), C102(H102), C109(H109), C122(H122), C125(H125), C132(H132),
 C143(H143), C0AA(H0AA), C1AA(H1AA), C2AA(H2AA)
3.b Idealised Me refined as rotating group:
 C9(D9A,D9B,D9C), C12(D12A,D12B,D12C), C13(D13A,D13B,D13C), C14(D14A,D14B,
 D14C), C15(D15A,D15B,D15C), C17(D17A,D17B,D17C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.32348(3) 0.31857(2) 0.21510(2) 0.01873(11) Uani 1 1 d . . . . .
Co2 Co 0.01701(9) 0.18961(8) 0.29651(8) 0.0275(2) Uani 1 1 d . . . . .
P3 P 0.1659(3) 0.1275(3) 0.3470(2) 0.0629(11) Uani 1 1 d . . . . .
P6 P 0.1226(3) 0.2142(4) 0.16881(18) 0.0736(13) Uani 1 1 d . . . . .
P7 P 0.0338(3) 0.3332(2) 0.3180(2) 0.0493(7) Uani 1 1 d . . . . .
F6 F 0.5462(5) 0.3035(5) -0.1350(3) 0.0398(13) Uani 1 1 d . . . . .
N10 N 0.4658(5) 0.2981(5) 0.0903(4) 0.0174(11) Uani 1 1 d . . . . .
F12 F 0.1374(6) 0.7163(4) 0.0725(4) 0.0522(18) Uani 1 1 d . . . . .
F13 F 0.6908(5) 0.0188(4) 0.3097(3) 0.0367(12) Uani 1 1 d . . . . .
F16 F 0.2025(7) 0.6205(5) 0.4015(4) 0.066(2) Uani 1 1 d . U . . .
F17 F 0.6693(5) 0.1404(5) -0.0321(3) 0.0492(17) Uani 1 1 d . . . . .
F20 F 0.2192(6) 0.6289(4) -0.0706(4) 0.0467(15) Uani 1 1 d . . . . .
F21 F 0.5987(5) 0.1031(4) 0.4560(3) 0.0345(12) Uani 1 1 d . . . . .
F24 F 0.3190(9) 0.4554(6) 0.5081(4) 0.085(3) Uani 1 1 d . U . . .
O0AA O 0.2715(7) 0.1784(6) 0.3118(5) 0.050(2) Uani 1 1 d . . . . .
O2 O 0.2235(6) 0.2702(7) 0.1434(4) 0.051(2) Uani 1 1 d . . . . .
N4 N 0.4887(6) 0.2405(5) 0.2696(4) 0.0214(12) Uani 1 1 d . . . . .
N2 N 0.3166(6) 0.4807(5) 0.1177(4) 0.0206(12) Uani 1 1 d . . . . .
C2 C 0.3158(7) 0.4940(5) 0.0322(5) 0.0207(14) Uani 1 1 d . . . . .
N1AA N 0.3407(6) 0.4236(5) 0.2978(4) 0.0242(13) Uani 1 1 d . . . . .
C3AA C 0.5528(18) 0.3079(11) 0.5896(9) 0.080(5) Uani 1 1 d . . . . .
H3AA H 0.6071 0.3411 0.5977 0.096 Uiso 1 1 calc R . . . .
C16 C 0.3585(7) 0.4469(6) -0.1087(5) 0.0234(15) Uani 1 1 d . . . . .
C18 C 0.2445(8) 0.5873(6) 0.0058(5) 0.0276(17) Uani 1 1 d . . . . .
C20 C 0.3130(8) 0.3755(7) -0.1272(6) 0.0329(19) Uani 1 1 d . . . . .
H20 H 0.2915 0.3175 -0.0833 0.040 Uiso 1 1 calc R . . . .
C21 C 0.6134(6) 0.1011(6) 0.3114(5) 0.0221(15) Uani 1 1 d . . . . .
C24 C 0.5878(7) 0.2076(6) -0.0009(5) 0.0289(17) Uani 1 1 d . . . . .
O25 O 0.1551(9) 0.0840(9) 0.4434(7) 0.089(4) Uani 1 1 d . U . . .
C27 C 0.3757(6) 0.4282(5) -0.0193(5) 0.0191(14) Uani 1 1 d . . . . .
C30 C 0.3993(10) 0.2100(11) 0.5646(6) 0.055(3) Uani 1 1 d . . . . .
H30 H 0.3469 0.1749 0.5564 0.067 Uiso 1 1 calc R . . . .
C36 C 0.5288(7) 0.2837(6) -0.0489(5) 0.0263(16) Uani 1 1 d . . . . .
C37 C 0.5349(15) 0.3221(10) 0.5082(7) 0.066(4) Uani 1 1 d . . . . .
H37 H 0.5778 0.3654 0.4603 0.079 Uiso 1 1 calc R . . . .
O40 O -0.0101(9) 0.3253(8) 0.4193(6) 0.074(3) Uani 1 1 d . . . . .
C43 C 0.2497(7) 0.5621(5) 0.1451(5) 0.0233(15) Uani 1 1 d . . . . .
C45 C 0.2067(8) 0.6286(6) 0.0734(6) 0.0304(18) Uani 1 1 d . . . . .
C48 C 0.2992(11) 0.3897(9) -0.2108(7) 0.050(3) Uani 1 1 d . . . . .
H48 H 0.2703 0.3404 -0.2245 0.060 Uiso 1 1 calc R . . . .
C50 C 0.5505(6) 0.2159(5) 0.0867(5) 0.0214(14) Uani 1 1 d . . . . .
C52 C 0.5637(6) 0.1642(5) 0.2406(5) 0.0192(14) Uani 1 1 d . . . . .
C53 C 0.0263(8) 0.6530(7) 0.2781(7) 0.040(2) Uani 1 1 d . . . . .
H53 H 0.0055 0.5884 0.2891 0.048 Uiso 1 1 calc R . . . .
C55 C 0.6575(17) -0.0217(9) 0.1381(8) 0.072(4) Uani 1 1 d . U . . .
H55 H 0.5801 -0.0329 0.1528 0.087 Uiso 1 1 calc R . . . .
C57 C 0.4502(6) 0.3412(5) 0.0077(4) 0.0186(13) Uani 1 1 d . . . . .
C60 C 0.5931(7) 0.1516(6) 0.1562(5) 0.0232(15) Uani 1 1 d . . . . .
C62 C 0.5708(7) 0.1405(6) 0.3792(5) 0.0213(14) Uani 1 1 d . . . . .
C64 C 0.4564(9) 0.2753(7) 0.4945(6) 0.037(2) Uani 1 1 d . . . . .
C65 C 0.2733(7) 0.5151(6) 0.2968(5) 0.0282(17) Uani 1 1 d . . . . .
C68 C 0.2266(7) 0.5780(6) 0.2273(5) 0.0241(15) Uani 1 1 d . . . . .
O69 O 0.2023(9) 0.0135(7) 0.3247(10) 0.102(5) Uani 1 1 d . . . . .
C71 C 0.1406(7) 0.6666(6) 0.2456(5) 0.0275(16) Uani 1 1 d . . . . .
C74 C 0.4353(8) 0.2959(7) 0.4065(5) 0.0319(19) Uani 1 1 d . . . . .
C76 C 0.3883(8) 0.5318(8) -0.1733(6) 0.037(2) Uani 1 1 d . . . . .
H76 H 0.4204 0.5805 -0.1614 0.044 Uiso 1 1 calc R . . . .
C78 C 0.4908(12) 0.2448(10) 0.6588(7) 0.057(3) Uani 1 1 d . . . . .
H78 H 0.5001 0.2366 0.7154 0.068 Uiso 1 1 calc R . . . .
C79 C -0.0577(9) 0.7323(8) 0.2947(8) 0.047(3) Uani 1 1 d . . . . .
H79 H -0.1356 0.7224 0.3167 0.057 Uiso 1 1 calc R . . . .
C81 C 0.4923(7) 0.2297(6) 0.3539(5) 0.0221(15) Uani 1 1 d . . . . .
C83 C -0.0781(8) 0.1009(8) 0.2719(8) 0.045(2) Uani 1 1 d . . . . .
H83 H -0.0547 0.0712 0.2242 0.054 Uiso 1 1 calc R . . . .
C86 C 0.3280(11) 0.4761(11) -0.2739(7) 0.058(3) Uani 1 1 d . . . . .
H86 H 0.3175 0.4867 -0.3306 0.070 Uiso 1 1 calc R . . . .
C88 C 0.4160(11) 0.1939(12) 0.6468(7) 0.063(4) Uani 1 1 d . . . . .
H88 H 0.3759 0.1480 0.6943 0.076 Uiso 1 1 calc R . . . .
C90 C 0.6848(10) 0.0669(8) 0.1361(6) 0.045(3) Uani 1 1 d . U . . .
C91 C -0.0260(9) 0.8277(7) 0.2783(8) 0.044(2) Uani 1 1 d . . . . .
H91 H -0.0828 0.8829 0.2886 0.053 Uiso 1 1 calc R . . . .
C96 C 0.3668(9) 0.3875(7) 0.3776(5) 0.035(2) Uani 1 1 d . . . . .
C97 C -0.1031(9) 0.1273(10) 0.4050(8) 0.054(3) Uani 1 1 d . . . . .
H97 H -0.0988 0.1174 0.4631 0.064 Uiso 1 1 calc R . . . .
C99 C 0.1706(9) 0.7608(7) 0.2312(6) 0.036(2) Uani 1 1 d . . . . .
H99 H 0.2486 0.7707 0.2101 0.043 Uiso 1 1 calc R . . . .
C102 C -0.1566(9) 0.2122(10) 0.3557(9) 0.059(3) Uani 1 1 d . . . . .
H102 H -0.1963 0.2703 0.3747 0.070 Uiso 1 1 calc R . . . .
C103 C 0.2576(11) 0.5374(8) 0.3788(6) 0.051(3) Uani 1 1 d . . . . .
C105 C 0.3126(12) 0.4595(9) 0.4280(6) 0.058(4) Uani 1 1 d . . . . .
C109 C 0.0868(10) 0.8412(7) 0.2473(7) 0.045(2) Uani 1 1 d . . . . .
H109 H 0.1079 0.9056 0.2369 0.054 Uiso 1 1 calc R . . . .
C122 C -0.1422(8) 0.1979(9) 0.2732(9) 0.053(3) Uani 1 1 d . . . . .
H122 H -0.1702 0.2444 0.2265 0.064 Uiso 1 1 calc R . . . .
C125 C -0.0563(8) 0.0583(8) 0.3536(8) 0.045(3) Uani 1 1 d . . . . .
H125 H -0.0164 -0.0068 0.3718 0.053 Uiso 1 1 calc R . . . .
C132 C 0.3712(10) 0.5454(9) -0.2543(6) 0.049(3) Uani 1 1 d . . . . .
H132 H 0.3899 0.6046 -0.2976 0.059 Uiso 1 1 calc R . . . .
C143 C 0.8002(11) 0.0844(13) 0.1122(7) 0.069(4) Uani 1 1 d . U . . .
H143 H 0.8162 0.1482 0.1103 0.083 Uiso 1 1 calc R . . . .
O7 O -0.0616(7) 0.4187(6) 0.2941(8) 0.069(3) Uani 1 1 d . . . . .
O8 O 0.0260(8) 0.2880(9) 0.1116(6) 0.076(3) Uani 1 1 d . . . . .
O9 O 0.1529(11) 0.1314(10) 0.1264(8) 0.097(4) Uani 1 1 d . U . . .
C0AA C 0.8899(16) 0.0116(16) 0.0916(10) 0.091(6) Uani 1 1 d . U . . .
H0AA H 0.9672 0.0233 0.0757 0.109 Uiso 1 1 calc R . . . .
C1AA C 0.755(2) -0.1023(13) 0.1162(10) 0.092(5) Uani 1 1 d . U . . .
H1AA H 0.7423 -0.1669 0.1169 0.110 Uiso 1 1 calc R . . . .
C2AA C 0.862(2) -0.0761(17) 0.0954(12) 0.098(6) Uani 1 1 d . U . . .
H2AA H 0.9235 -0.1266 0.0819 0.117 Uiso 1 1 calc R . . . .
O6 O 0.1444(6) 0.3721(5) 0.2753(8) 0.073(3) Uani 1 1 d . . . . .
C9 C -0.0381(14) 0.4697(14) 0.1895(11) 0.082(4) Uani 1 1 d . U . . .
D9A D -0.0365 0.4191 0.1593 0.123 Uiso 1 1 calc GR . . . .
D9B D 0.0356 0.4951 0.1697 0.123 Uiso 1 1 calc GR . . . .
D9C D -0.0992 0.5253 0.1772 0.123 Uiso 1 1 calc GR . . . .
C12 C 0.3006(14) -0.0488(13) 0.3505(12) 0.085(5) Uani 1 1 d . U . . .
D12A D 0.3696 -0.0296 0.3066 0.127 Uiso 1 1 calc GR . . . .
D12B D 0.2954 -0.1191 0.3565 0.127 Uiso 1 1 calc GR . . . .
D12C D 0.3047 -0.0405 0.4061 0.127 Uiso 1 1 calc GR . . . .
C13 C 0.2787(17) 0.0727(16) 0.1114(13) 0.096(5) Uani 1 1 d . U . . .
D13A D 0.2864 0.0286 0.0736 0.144 Uiso 1 1 calc GR . . . .
D13B D 0.2944 0.0323 0.1671 0.144 Uiso 1 1 calc GR . . . .
D13C D 0.3334 0.1209 0.0841 0.144 Uiso 1 1 calc GR . . . .
C14 C 0.0661(16) 0.3185(17) 0.0224(11) 0.095(5) Uani 1 1 d . U . . .
D14A D 0.0025 0.3557 -0.0042 0.143 Uiso 1 1 calc GR . . . .
D14B D 0.0993 0.2594 -0.0006 0.143 Uiso 1 1 calc GR . . . .
D14C D 0.1246 0.3619 0.0090 0.143 Uiso 1 1 calc GR . . . .
C15 C 0.0034(19) 0.4029(15) 0.4540(13) 0.099(6) Uani 1 1 d . U . . .
D15A D 0.0794 0.4232 0.4270 0.148 Uiso 1 1 calc GR . . . .
D15B D -0.0045 0.3777 0.5167 0.148 Uiso 1 1 calc GR . . . .
D15C D -0.0553 0.4609 0.4421 0.148 Uiso 1 1 calc GR . . . .
C17 C 0.1824(19) 0.1488(16) 0.4968(13) 0.101(6) Uani 1 1 d . U . . .
D17A D 0.2457 0.1857 0.4614 0.152 Uiso 1 1 calc GR . . . .
D17B D 0.2038 0.1043 0.5494 0.152 Uiso 1 1 calc GR . . . .
D17C D 0.1145 0.1964 0.5127 0.152 Uiso 1 1 calc GR . . . .


_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 P3 3.490(3) . ?
Yb1 P6 3.481(3) . ?
Yb1 P7 3.487(3) . ?
Yb1 N10 2.359(6) . ?
Yb1 O0AA 2.232(6) . ?
Yb1 O2 2.245(7) . ?
Yb1 N4 2.375(6) . ?
Yb1 N2 2.378(6) . ?
Yb1 N1AA 2.369(7) . ?
Yb1 O6 2.220(7) . ?
Co2 P3 2.136(3) . ?
Co2 P6 2.130(3) . ?
Co2 P7 2.213(3) . ?
Co2 C83 2.069(10) . ?
Co2 C97 2.083(10) . ?
Co2 C102 2.087(10) . ?
Co2 C122 2.072(10) . ?
Co2 C125 2.081(9) . ?
P3 O0AA 1.506(7) . ?
P3 O25 1.516(11) . ?
P3 O69 1.693(13) . ?
P6 O2 1.506(7) . ?
P6 O8 1.708(11) . ?
P6 O9 1.466(11) . ?
P7 O40 1.598(10) . ?
P7 O7 1.536(9) . ?
P7 O6 1.485(8) . ?
F6 C36 1.339(8) . ?
N10 C50 1.386(9) . ?
N10 C57 1.378(9) . ?
F12 C45 1.342(9) . ?
F13 C21 1.336(9) . ?
F16 C103 1.323(11) . ?
F17 C24 1.329(9) . ?
F20 C18 1.326(9) . ?
F21 C62 1.340(8) . ?
F24 C105 1.338(11) . ?
N4 C52 1.369(9) . ?
N4 C81 1.377(9) . ?
N2 C2 1.379(9) . ?
N2 C43 1.377(10) . ?
C2 C18 1.439(10) . ?
C2 C27 1.400(10) . ?
N1AA C65 1.374(10) . ?
N1AA C96 1.374(10) . ?
C3AA C37 1.380(15) . ?
C3AA C78 1.37(2) . ?
C16 C20 1.392(12) . ?
C16 C27 1.498(10) . ?
C16 C76 1.388(12) . ?
C18 C45 1.341(12) . ?
C20 C48 1.397(13) . ?
C21 C52 1.449(10) . ?
C21 C62 1.331(11) . ?
C24 C36 1.341(11) . ?
C24 C50 1.433(11) . ?
O25 C17 1.58(2) . ?
C27 C57 1.404(10) . ?
C30 C64 1.372(16) . ?
C30 C88 1.383(14) . ?
C36 C57 1.443(10) . ?
C37 C64 1.378(17) . ?
O40 C15 1.43(2) . ?
C43 C45 1.434(11) . ?
C43 C68 1.391(11) . ?
C48 C86 1.389(19) . ?
C50 C60 1.395(11) . ?
C52 C60 1.402(10) . ?
C53 C71 1.391(13) . ?
C53 C79 1.386(13) . ?
C55 C90 1.348(19) . ?
C55 C1AA 1.51(2) . ?
C60 C90 1.504(11) . ?
C62 C81 1.443(10) . ?
C64 C74 1.490(11) . ?
C65 C68 1.413(11) . ?
C65 C103 1.441(12) . ?
C68 C71 1.501(11) . ?
O69 C12 1.425(18) . ?
C71 C99 1.387(12) . ?
C74 C81 1.409(11) . ?
C74 C96 1.414(12) . ?
C76 C132 1.371(14) . ?
C78 C88 1.37(2) . ?
C79 C91 1.406(15) . ?
C83 C122 1.427(16) . ?
C83 C125 1.388(16) . ?
C86 C132 1.359(19) . ?
C90 C143 1.42(2) . ?
C91 C109 1.372(16) . ?
C96 C105 1.442(12) . ?
C97 C102 1.385(18) . ?
C97 C125 1.408(18) . ?
C99 C109 1.394(13) . ?
C102 C122 1.40(2) . ?
C103 C105 1.339(14) . ?
C143 C0AA 1.378(18) . ?
O7 C9 1.64(2) . ?
O8 C14 1.391(19) . ?
O9 C13 1.58(2) . ?
C0AA C2AA 1.33(3) . ?
C1AA C2AA 1.37(3) . ?

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
P6 Yb1 P3 51.03(8) . . ?
P6 Yb1 P7 54.87(8) . . ?
P7 Yb1 P3 50.54(9) . . ?
N10 Yb1 P3 122.33(17) . . ?
N10 Yb1 P6 94.79(16) . . ?
N10 Yb1 P7 147.37(15) . . ?
N10 Yb1 N4 76.3(2) . . ?
N10 Yb1 N2 75.4(2) . . ?
N10 Yb1 N1AA 120.6(2) . . ?
O0AA Yb1 P3 17.06(18) . . ?
O0AA Yb1 P6 65.15(19) . . ?
O0AA Yb1 P7 65.0(2) . . ?
O0AA Yb1 N10 116.6(3) . . ?
O0AA Yb1 O2 80.2(3) . . ?
O0AA Yb1 N4 75.6(2) . . ?
O0AA Yb1 N2 162.2(3) . . ?
O0AA Yb1 N1AA 105.2(3) . . ?
O2 Yb1 P3 67.64(19) . . ?
O2 Yb1 P6 17.72(17) . . ?
O2 Yb1 P7 68.7(2) . . ?
O2 Yb1 N10 79.3(2) . . ?
O2 Yb1 N4 132.6(3) . . ?
O2 Yb1 N2 90.0(3) . . ?
O2 Yb1 N1AA 151.1(3) . . ?
N4 Yb1 P3 92.63(17) . . ?
N4 Yb1 P6 130.37(18) . . ?
N4 Yb1 P7 130.90(16) . . ?
N4 Yb1 N2 121.4(2) . . ?
N2 Yb1 P3 145.51(17) . . ?
N2 Yb1 P6 102.25(17) . . ?
N2 Yb1 P7 97.73(17) . . ?
N1AA Yb1 P3 110.15(18) . . ?
N1AA Yb1 P6 142.17(18) . . ?
N1AA Yb1 P7 87.51(17) . . ?
N1AA Yb1 N4 75.4(2) . . ?
N1AA Yb1 N2 76.7(2) . . ?
O6 Yb1 P3 65.6(2) . . ?
O6 Yb1 P6 66.9(3) . . ?
O6 Yb1 P7 15.98(19) . . ?
O6 Yb1 N10 149.6(4) . . ?
O6 Yb1 O0AA 78.8(3) . . ?
O6 Yb1 O2 77.9(4) . . ?
O6 Yb1 N4 134.1(4) . . ?
O6 Yb1 N2 84.7(3) . . ?
O6 Yb1 N1AA 75.4(3) . . ?
P3 Co2 P7 86.41(14) . . ?
P6 Co2 P3 89.48(15) . . ?
P6 Co2 P7 95.30(15) . . ?
C83 Co2 P3 122.1(3) . . ?
C83 Co2 P6 93.0(3) . . ?
C83 Co2 P7 150.4(3) . . ?
C83 Co2 C97 66.5(5) . . ?
C83 Co2 C102 66.7(5) . . ?
C83 Co2 C122 40.3(5) . . ?
C83 Co2 C125 39.1(4) . . ?
C97 Co2 P3 97.8(4) . . ?
C97 Co2 P6 159.1(4) . . ?
C97 Co2 P7 104.7(4) . . ?
C97 Co2 C102 38.8(5) . . ?
C102 Co2 P3 132.5(4) . . ?
C102 Co2 P6 138.0(4) . . ?
C102 Co2 P7 88.6(4) . . ?
C122 Co2 P3 158.8(3) . . ?
C122 Co2 P6 101.6(4) . . ?
C122 Co2 P7 110.1(4) . . ?
C122 Co2 C97 65.9(5) . . ?
C122 Co2 C102 39.4(5) . . ?
C122 Co2 C125 66.0(4) . . ?
C125 Co2 P3 92.9(3) . . ?
C125 Co2 P6 120.9(4) . . ?
C125 Co2 P7 143.8(4) . . ?
C125 Co2 C97 39.5(5) . . ?
C125 Co2 C102 65.6(5) . . ?
Co2 P3 Yb1 94.68(9) . . ?
O0AA P3 Yb1 25.8(3) . . ?
O0AA P3 Co2 120.4(3) . . ?
O0AA P3 O25 107.7(5) . . ?
O0AA P3 O69 106.8(6) . . ?
O25 P3 Yb1 126.4(4) . . ?
O25 P3 Co2 120.5(5) . . ?
O25 P3 O69 93.6(7) . . ?
O69 P3 Yb1 118.0(5) . . ?
O69 P3 Co2 103.1(4) . . ?
Co2 P6 Yb1 95.04(9) . . ?
O2 P6 Yb1 27.0(3) . . ?
O2 P6 Co2 121.3(3) . . ?
O2 P6 O8 106.2(5) . . ?
O8 P6 Yb1 120.9(4) . . ?
O8 P6 Co2 100.3(4) . . ?
O9 P6 Yb1 123.3(5) . . ?
O9 P6 Co2 118.0(5) . . ?
O9 P6 O2 108.8(6) . . ?
O9 P6 O8 98.3(8) . . ?
Co2 P7 Yb1 93.33(10) . . ?
O40 P7 Yb1 122.2(4) . . ?
O40 P7 Co2 107.5(4) . . ?
O7 P7 Yb1 126.7(4) . . ?
O7 P7 Co2 113.4(4) . . ?
O7 P7 O40 93.7(6) . . ?
O6 P7 Yb1 24.3(3) . . ?
O6 P7 Co2 116.6(3) . . ?
O6 P7 O40 116.2(6) . . ?
O6 P7 O7 107.3(5) . . ?
C50 N10 Yb1 124.8(5) . . ?
C57 N10 Yb1 122.9(5) . . ?
C57 N10 C50 107.5(6) . . ?
P3 O0AA Yb1 137.2(4) . . ?
P6 O2 Yb1 135.3(4) . . ?
C52 N4 Yb1 123.0(5) . . ?
C52 N4 C81 107.9(6) . . ?
C81 N4 Yb1 122.5(5) . . ?
C2 N2 Yb1 121.5(5) . . ?
C43 N2 Yb1 120.2(5) . . ?
C43 N2 C2 108.2(6) . . ?
N2 C2 C18 108.0(7) . . ?
N2 C2 C27 125.4(7) . . ?
C27 C2 C18 126.5(7) . . ?
C65 N1AA Yb1 121.5(5) . . ?
C65 N1AA C96 107.5(7) . . ?
C96 N1AA Yb1 123.3(6) . . ?
C78 C3AA C37 118.9(14) . . ?
C20 C16 C27 118.4(7) . . ?
C76 C16 C20 119.5(8) . . ?
C76 C16 C27 122.1(8) . . ?
F20 C18 C2 128.4(7) . . ?
F20 C18 C45 124.1(7) . . ?
C45 C18 C2 107.5(7) . . ?
C16 C20 C48 119.5(10) . . ?
F13 C21 C52 126.8(7) . . ?
C62 C21 F13 125.1(7) . . ?
C62 C21 C52 108.2(6) . . ?
F17 C24 C36 124.6(7) . . ?
F17 C24 C50 127.6(7) . . ?
C36 C24 C50 107.8(7) . . ?
P3 O25 C17 118.3(10) . . ?
C2 C27 C16 119.8(6) . . ?
C2 C27 C57 124.5(7) . . ?
C57 C27 C16 115.6(6) . . ?
C64 C30 C88 121.9(13) . . ?
F6 C36 C24 124.4(7) . . ?
F6 C36 C57 127.4(7) . . ?
C24 C36 C57 108.1(7) . . ?
C64 C37 C3AA 121.9(13) . . ?
C15 O40 P7 120.0(11) . . ?
N2 C43 C45 107.7(7) . . ?
N2 C43 C68 126.8(7) . . ?
C68 C43 C45 125.5(7) . . ?
F12 C45 C43 127.1(8) . . ?
C18 C45 F12 124.3(7) . . ?
C18 C45 C43 108.6(7) . . ?
C86 C48 C20 119.8(11) . . ?
N10 C50 C24 108.5(6) . . ?
N10 C50 C60 126.2(7) . . ?
C60 C50 C24 125.2(7) . . ?
N4 C52 C21 107.9(6) . . ?
N4 C52 C60 126.5(7) . . ?
C60 C52 C21 125.4(7) . . ?
C79 C53 C71 121.0(9) . . ?
C90 C55 C1AA 117.4(17) . . ?
N10 C57 C27 127.0(6) . . ?
N10 C57 C36 108.0(6) . . ?
C27 C57 C36 124.9(7) . . ?
C50 C60 C52 125.4(7) . . ?
C50 C60 C90 116.4(7) . . ?
C52 C60 C90 118.0(7) . . ?
F21 C62 C81 127.4(7) . . ?
C21 C62 F21 124.9(7) . . ?
C21 C62 C81 107.6(6) . . ?
C30 C64 C37 117.4(9) . . ?
C30 C64 C74 122.1(10) . . ?
C37 C64 C74 120.5(10) . . ?
N1AA C65 C68 126.3(7) . . ?
N1AA C65 C103 108.7(7) . . ?
C68 C65 C103 124.9(7) . . ?
C43 C68 C65 125.6(7) . . ?
C43 C68 C71 117.6(7) . . ?
C65 C68 C71 116.8(7) . . ?
C12 O69 P3 117.6(12) . . ?
C53 C71 C68 118.2(7) . . ?
C99 C71 C53 119.2(8) . . ?
C99 C71 C68 122.7(8) . . ?
C81 C74 C64 119.2(7) . . ?
C81 C74 C96 123.6(7) . . ?
C96 C74 C64 116.9(7) . . ?
C132 C76 C16 119.9(10) . . ?
C88 C78 C3AA 120.6(10) . . ?
C53 C79 C91 119.0(10) . . ?
N4 C81 C62 108.3(6) . . ?
N4 C81 C74 127.0(7) . . ?
C74 C81 C62 124.6(7) . . ?
C122 C83 Co2 70.0(6) . . ?
C125 C83 Co2 70.9(6) . . ?
C125 C83 C122 106.9(11) . . ?
C132 C86 C48 119.7(9) . . ?
C78 C88 C30 119.1(13) . . ?
C55 C90 C60 120.8(12) . . ?
C55 C90 C143 121.3(12) . . ?
C143 C90 C60 117.9(11) . . ?
C109 C91 C79 120.1(9) . . ?
N1AA C96 C74 126.7(7) . . ?
N1AA C96 C105 108.4(7) . . ?
C74 C96 C105 125.0(8) . . ?
C102 C97 Co2 70.7(6) . . ?
C102 C97 C125 107.9(12) . . ?
C125 C97 Co2 70.1(6) . . ?
C71 C99 C109 120.3(9) . . ?
C97 C102 Co2 70.5(6) . . ?
C97 C102 C122 108.4(11) . . ?
C122 C102 Co2 69.7(6) . . ?
F16 C103 C65 127.0(9) . . ?
F16 C103 C105 125.6(9) . . ?
C105 C103 C65 107.4(8) . . ?
F24 C105 C96 127.9(9) . . ?
F24 C105 C103 124.0(9) . . ?
C103 C105 C96 108.0(8) . . ?
C91 C109 C99 120.3(9) . . ?
C83 C122 Co2 69.7(6) . . ?
C102 C122 Co2 70.9(6) . . ?
C102 C122 C83 107.8(10) . . ?
C83 C125 Co2 70.0(6) . . ?
C83 C125 C97 109.0(10) . . ?
C97 C125 Co2 70.3(6) . . ?
C86 C132 C76 121.5(10) . . ?
C0AA C143 C90 122.0(18) . . ?
P7 O7 C9 112.0(8) . . ?
C14 O8 P6 116.4(10) . . ?
P6 O9 C13 121.0(11) . . ?
C2AA C0AA C143 116(2) . . ?
C2AA C1AA C55 115.4(17) . . ?
C0AA C2AA C1AA 127.9(19) . . ?
P7 O6 Yb1 139.7(4) . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-3 -17 -18 0.0528 -3.3362 -16.6694 -18.0021 -0.9932 0.1377 0.1003
8 -15 -5 0.0793 8.0021 -15.0053 -4.9981 -0.7003 -0.3771 0.6037
2 -18 -10 0.0601 2.0000 -18.0043 -9.9990 -0.8597 -0.0625 0.4899
4 -15 8 0.1120 4.0038 -15.0037 8.0065 -0.2481 0.0053 0.9657
4 -11 14 0.1441 4.3381 -11.3362 14.0077 0.0383 0.0219 1.0036
-4 -17 5 0.1204 -3.6649 -17.3353 5.0062 -0.3041 0.4328 0.8639
17 4 3 0.0646 17.0039 3.9959 2.9997 -0.0218 -0.9798 0.1595
2 -14 -18 0.0410 1.6646 -13.6703 -18.0029 -0.9733 -0.1780 0.0395
-11 -16 -16 0.0540 -11.3376 -15.6668 -16.0015 -0.7942 0.6116 0.0095
15 0 -4 0.0676 15.3359 -0.3380 -4.0016 -0.3402 -0.9252 0.0998
-17 0 0 0.0684 -16.6702 -0.3285 0.0004 0.2164 0.9612 -0.2180
15 -3 -4 0.0449 15.0027 -3.0051 -4.0009 -0.4137 -0.8809 0.2113
-16 -5 2 0.0953 -16.0026 -4.9962 2.0023 0.1321 0.9904 0.0587
-5 10 -15 0.1168 -5.0050 10.0028 -15.0077 -0.0988 0.0173 -0.9870
-15 4 -7 0.0862 -15.3384 4.3384 -7.0033 0.1205 0.7585 -0.6274
10 13 -7 0.0788 9.6661 13.3327 -7.0060 0.0445 -0.7635 -0.6704
2 15 18 0.0328 1.6693 15.3363 18.0024 0.9768 -0.0294 -0.0656

_olex2_submission_special_instructions 'No special instructions were received'
