# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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 
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data_2a
_database_code_depnum_ccdc_archive 'CCDC 1881753'
_audit_update_record             
;
2019-01-09 deposited with the CCDC.
2019-01-24 downloaded from the CCDC.
;
_audit_creation_date             2019-01-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(C15 H15 Yb), 2(C17 H18 N P), C7 H8'
_chemical_formula_sum            'C71 H74 N2 P2 Yb2'
_chemical_formula_weight         1363.34
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.082(2)
_cell_length_b                   14.797(2)
_cell_length_c                   25.996(4)
_cell_angle_alpha                90
_cell_angle_beta                 96.515(2)
_cell_angle_gamma                90
_cell_volume                     6146.1(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9835
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.455
_cell_measurement_theta_min      2.356
_shelx_estimated_absorpt_T_max   0.619
_shelx_estimated_absorpt_T_min   0.589
_exptl_absorpt_coefficient_mu    3.119
_exptl_absorpt_correction_T_max  0.6192
_exptl_absorpt_correction_T_min  0.5887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2736
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_unetI/netI     0.0583
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            55943
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.493
_diffrn_reflns_theta_min         1.876
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11156
_reflns_number_total             14043
_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       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       'SAINT v8.27A (Bruker, 2012)'
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.381
_refine_diff_density_min         -1.263
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     740
_refine_ls_number_reflns         14043
_refine_ls_number_restraints     80
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0408
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0472P)²+5.3228P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1062
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid body (RIGU) restrains
 C43A, C41, C42, C42A, C43, C40A, C41A, C44, C44A, C40, Yb2
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3. Others
 Sof(C40A)=Sof(H40A)=Sof(C41A)=Sof(H41A)=Sof(C42A)=Sof(H42A)=Sof(C43A)=
 Sof(H43A)=Sof(C44A)=Sof(H44A)=1-FVAR(1)
 Sof(C40)=Sof(H40)=Sof(C41)=Sof(H41)=Sof(C42)=Sof(H42)=Sof(C43)=Sof(H43)=
 Sof(C44)=Sof(H44)=FVAR(1)
4.a Ternary CH refined with riding coordinates:
 C36(H36), C38(H38), C42(H42), C43(H43), C43A(H43A), C45(H45), C46(H46),
 C47(H47), C52(H52), C53(H53), C54(H54), C55(H55), C56(H56), C58(H58), C59(H59),
  C60(H60), C61(H61), C62(H62), C63(H63)
4.b Me refined with riding coordinates:
 C7(H7A,H7B,H7C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,
 H17C), C24(H24A,H24B,H24C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,
 H34B,H34C), C71(H71A,H71B,H71C)
4.c Aromatic/amide H refined with riding coordinates:
 N1(H1), N2(H2A), C2(H2), C4(H4), C5(H5), C11(H11), C13(H13), C19(H19),
 C21(H21), C22(H22), C27(H27), C29(H29), C35(H35), C37(H37), C39(H39), C40(H40),
  C40A(H40A), C41(H41), C41A(H41A), C42A(H42A), C44(H44), C44A(H44A), C48(H48),
 C49(H49), C50(H50), C51(H51), C57(H57), C64(H64), C65(H65), C66(H66), C67(H67),
  C69(H69), C70(H70)
;
_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
Yb2 Yb 0.07960(2) 0.65509(2) 0.27156(2) 0.02480(6) Uani 1 1 d . U . . .
Yb1 Yb 0.36844(2) 0.26816(2) 0.42018(2) 0.02701(7) Uani 1 1 d . . . . .
P1 P 0.47921(7) 0.21388(10) 0.34499(5) 0.0312(3) Uani 1 1 d . . . . .
P2 P 0.11425(8) 0.82308(11) 0.32552(6) 0.0423(4) Uani 1 1 d . . . . .
N1 N 0.5973(2) 0.1548(3) 0.29558(15) 0.0298(9) Uani 1 1 d . . . . .
H1 H 0.646163 0.138105 0.288996 0.036 Uiso 1 1 calc R . . . .
N2 N 0.1760(2) 0.9559(3) 0.37976(15) 0.0285(9) Uani 1 1 d . . . . .
H2A H 0.211111 0.995009 0.393793 0.034 Uiso 1 1 calc R . . . .
C1 C 0.4555(3) 0.1843(4) 0.27863(17) 0.0286(10) Uani 1 1 d . . . . .
C2 C 0.3806(3) 0.1883(4) 0.24535(19) 0.0343(11) Uani 1 1 d . . . . .
H2 H 0.331612 0.206884 0.258092 0.041 Uiso 1 1 calc R . . . .
C3 C 0.3790(3) 0.1650(4) 0.19377(19) 0.0415(14) Uani 1 1 d . . . . .
C4 C 0.4526(3) 0.1340(4) 0.1755(2) 0.0410(14) Uani 1 1 d . . . . .
H4 H 0.450901 0.116769 0.141028 0.049 Uiso 1 1 calc R . . . .
C5 C 0.5273(3) 0.1281(4) 0.2070(2) 0.0412(13) Uani 1 1 d . . . . .
H5 H 0.575666 0.107995 0.194173 0.049 Uiso 1 1 calc R . . . .
C6 C 0.5281(3) 0.1532(4) 0.25856(18) 0.0320(11) Uani 1 1 d . . . . .
C7 C 0.2995(4) 0.1730(5) 0.1567(2) 0.0607(19) Uani 1 1 d . . . . .
H7A H 0.310371 0.153899 0.122765 0.091 Uiso 1 1 calc R . . . .
H7B H 0.256847 0.135460 0.168447 0.091 Uiso 1 1 calc R . . . .
H7C H 0.281060 0.234746 0.155268 0.091 Uiso 1 1 calc R . . . .
C8 C 0.5822(3) 0.1847(3) 0.34299(16) 0.0250(10) Uani 1 1 d . . . . .
C9 C 0.6520(3) 0.1898(3) 0.38535(16) 0.0242(9) Uani 1 1 d . . . . .
C10 C 0.6985(3) 0.2692(4) 0.39234(18) 0.0313(11) Uani 1 1 d . . . . .
C11 C 0.7632(3) 0.2739(4) 0.4328(2) 0.0403(13) Uani 1 1 d . . . . .
H11 H 0.795367 0.326229 0.437037 0.048 Uiso 1 1 calc R . . . .
C12 C 0.7809(3) 0.2027(4) 0.46677(19) 0.0389(13) Uani 1 1 d . . . . .
C13 C 0.7339(3) 0.1251(4) 0.45949(19) 0.0370(12) Uani 1 1 d . . . . .
H13 H 0.745273 0.076995 0.482232 0.044 Uiso 1 1 calc R . . . .
C14 C 0.6692(3) 0.1163(4) 0.41871(18) 0.0300(10) Uani 1 1 d . . . . .
C15 C 0.6794(4) 0.3505(4) 0.3586(2) 0.0505(16) Uani 1 1 d . . . . .
H15A H 0.718006 0.398091 0.369374 0.076 Uiso 1 1 calc R . . . .
H15B H 0.684539 0.334896 0.323211 0.076 Uiso 1 1 calc R . . . .
H15C H 0.623301 0.370497 0.361449 0.076 Uiso 1 1 calc R . . . .
C16 C 0.8498(4) 0.2117(6) 0.5116(2) 0.064(2) Uani 1 1 d . . . . .
H16A H 0.875487 0.270109 0.510446 0.096 Uiso 1 1 calc R . . . .
H16B H 0.826231 0.205134 0.543763 0.096 Uiso 1 1 calc R . . . .
H16C H 0.891064 0.165599 0.509041 0.096 Uiso 1 1 calc R . . . .
C17 C 0.6197(4) 0.0304(4) 0.4128(2) 0.0496(15) Uani 1 1 d . . . . .
H17A H 0.640956 -0.011533 0.439266 0.074 Uiso 1 1 calc R . . . .
H17B H 0.561959 0.043062 0.416017 0.074 Uiso 1 1 calc R . . . .
H17C H 0.624458 0.004650 0.379380 0.074 Uiso 1 1 calc R . . . .
C18 C 0.0482(3) 0.8849(4) 0.36301(19) 0.0310(11) Uani 1 1 d . . . . .
C19 C -0.0374(3) 0.8750(4) 0.3693(2) 0.0375(12) Uani 1 1 d . . . . .
H19 H -0.068210 0.829102 0.351635 0.045 Uiso 1 1 calc R . . . .
C20 C -0.0754(3) 0.9314(4) 0.4006(2) 0.0364(12) Uani 1 1 d . . . . .
C21 C -0.0279(3) 0.9994(4) 0.4274(2) 0.0410(13) Uani 1 1 d . . . . .
H21 H -0.053784 1.037644 0.449123 0.049 Uiso 1 1 calc R . . . .
C22 C 0.0556(3) 1.0116(4) 0.42276(19) 0.0385(12) Uani 1 1 d . . . . .
H22 H 0.085962 1.057198 0.440958 0.046 Uiso 1 1 calc R . . . .
C23 C 0.0938(3) 0.9534(3) 0.38976(17) 0.0284(10) Uani 1 1 d . . . . .
C24 C -0.1684(3) 0.9220(5) 0.4056(2) 0.0522(16) Uani 1 1 d . . . . .
H24A H -0.184679 0.966887 0.429166 0.078 Uiso 1 1 calc R . . . .
H24B H -0.199811 0.930180 0.372304 0.078 Uiso 1 1 calc R . . . .
H24C H -0.179250 0.862875 0.418572 0.078 Uiso 1 1 calc R . . . .
C25 C 0.1974(3) 0.8926(4) 0.34632(18) 0.0295(10) Uani 1 1 d . . . . .
C26 C 0.3486(3) 0.8481(4) 0.36253(19) 0.0335(11) Uani 1 1 d . . . . .
C27 C 0.4292(3) 0.8526(4) 0.3485(2) 0.0396(13) Uani 1 1 d . . . . .
H27 H 0.472236 0.823563 0.369031 0.047 Uiso 1 1 calc R . . . .
C28 C 0.4477(3) 0.8994(4) 0.3046(2) 0.0348(12) Uani 1 1 d . . . . .
C29 C 0.3828(3) 0.9413(3) 0.27418(19) 0.0325(11) Uani 1 1 d . . . . .
H29 H 0.394155 0.972814 0.244829 0.039 Uiso 1 1 calc R . . . .
C30 C 0.3011(3) 0.9373(4) 0.28642(18) 0.0309(11) Uani 1 1 d . . . . .
C31 C 0.2839(3) 0.8926(3) 0.33131(18) 0.0284(10) Uani 1 1 d . . . . .
C32 C 0.3326(4) 0.7992(5) 0.4105(2) 0.0500(15) Uani 1 1 d . . . . .
H32A H 0.274037 0.802383 0.414610 0.075 Uiso 1 1 calc R . . . .
H32B H 0.348862 0.737080 0.408032 0.075 Uiso 1 1 calc R . . . .
H32C H 0.364434 0.826615 0.439912 0.075 Uiso 1 1 calc R . . . .
C33 C 0.5360(3) 0.9023(5) 0.2894(3) 0.0513(16) Uani 1 1 d . . . . .
H33A H 0.572958 0.870157 0.314656 0.077 Uiso 1 1 calc R . . . .
H33B H 0.536916 0.874699 0.256097 0.077 Uiso 1 1 calc R . . . .
H33C H 0.553997 0.964058 0.287946 0.077 Uiso 1 1 calc R . . . .
C34 C 0.2329(3) 0.9850(4) 0.2516(2) 0.0417(13) Uani 1 1 d . . . . .
H34A H 0.180112 0.976386 0.264779 0.063 Uiso 1 1 calc R . . . .
H34B H 0.245276 1.048381 0.250562 0.063 Uiso 1 1 calc R . . . .
H34C H 0.230163 0.960381 0.217230 0.063 Uiso 1 1 calc R . . . .
C35 C 0.2230(4) 0.7120(5) 0.2393(3) 0.0603(19) Uani 1 1 d . . . . .
H35 H 0.227271 0.774072 0.234818 0.072 Uiso 1 1 calc R . . . .
C36 C 0.2465(3) 0.6653(5) 0.2836(3) 0.0519(17) Uani 1 1 d . . . . .
H36 H 0.280071 0.690201 0.314109 0.062 Uiso 1 1 calc R . . . .
C37 C 0.2313(3) 0.5759(5) 0.2750(3) 0.0520(16) Uani 1 1 d . . . . .
H37 H 0.243559 0.529230 0.298572 0.062 Uiso 1 1 calc R . . . .
C38 C 0.1934(4) 0.5672(5) 0.2234(3) 0.061(2) Uani 1 1 d . . . . .
H38 H 0.184172 0.510316 0.204266 0.073 Uiso 1 1 calc R . . . .
C39 C 0.1916(4) 0.6505(6) 0.2022(3) 0.065(2) Uani 1 1 d . . . . .
H39 H 0.172341 0.664246 0.168051 0.078 Uiso 1 1 calc R . . . .
C40 C 0.0589(11) 0.6386(9) 0.3732(5) 0.042(3) Uani 0.61(3) 1 d . U P A 1
H40 H 0.070746 0.688489 0.394565 0.050 Uiso 0.61(3) 1 calc R . P A 1
C40A C -0.0329(11) 0.5879(17) 0.3295(9) 0.037(4) Uani 0.39(3) 1 d . U P A 2
H40A H -0.087628 0.609237 0.324252 0.045 Uiso 0.39(3) 1 calc R . P A 2
C41 C 0.1175(11) 0.5726(12) 0.3622(6) 0.038(3) Uani 0.61(3) 1 d . U P A 1
H41 H 0.174491 0.572315 0.373517 0.045 Uiso 0.61(3) 1 calc R . P A 1
C41A C -0.0021(10) 0.5128(14) 0.3018(10) 0.037(4) Uani 0.39(3) 1 d . U P A 2
H41A H -0.031536 0.476199 0.276971 0.045 Uiso 0.39(3) 1 calc R . P A 2
C42 C 0.0741(12) 0.5086(16) 0.3313(7) 0.039(3) Uani 0.61(3) 1 d . U P A 1
H42 H 0.095447 0.448747 0.323410 0.047 Uiso 0.61(3) 1 calc R . P A 1
C42A C 0.0816(17) 0.508(2) 0.3210(13) 0.038(5) Uani 0.39(3) 1 d . U P A 2
H42A H 0.120264 0.469197 0.308876 0.045 Uiso 0.39(3) 1 calc R . P A 2
C43 C -0.0088(8) 0.5365(10) 0.3207(6) 0.040(3) Uani 0.61(3) 1 d . U P A 1
H43 H -0.054786 0.499284 0.304305 0.048 Uiso 0.61(3) 1 calc R . P A 1
C43A C 0.1006(14) 0.572(2) 0.3622(13) 0.050(6) Uani 0.39(3) 1 d . U P A 2
H43A H 0.151194 0.572816 0.386989 0.060 Uiso 0.39(3) 1 calc R . P A 2
C44 C -0.0183(10) 0.6183(10) 0.3476(6) 0.041(3) Uani 0.61(3) 1 d . U P A 1
H44 H -0.067242 0.651686 0.347919 0.049 Uiso 0.61(3) 1 calc R . P A 1
C44A C 0.0284(14) 0.6241(13) 0.3646(8) 0.036(4) Uani 0.39(3) 1 d . U P A 2
H44A H 0.023096 0.673738 0.385915 0.043 Uiso 0.39(3) 1 calc R . P A 2
C45 C 0.0169(5) 0.7606(5) 0.1943(3) 0.0601(19) Uani 1 1 d . . . . .
H45 H 0.047284 0.807022 0.177037 0.072 Uiso 1 1 calc R . . . .
C46 C 0.0021(4) 0.6721(6) 0.1775(2) 0.060(2) Uani 1 1 d . . . . .
H46 H 0.020977 0.645803 0.146206 0.072 Uiso 1 1 calc R . . . .
C47 C -0.0570(4) 0.6343(6) 0.2055(2) 0.068(2) Uani 1 1 d . . . . .
H47 H -0.085270 0.576472 0.197446 0.082 Uiso 1 1 calc R . . . .
C48 C -0.0817(4) 0.6971(8) 0.2387(3) 0.074(2) Uani 1 1 d . . . . .
H48 H -0.121644 0.688557 0.261522 0.088 Uiso 1 1 calc R . . . .
C49 C -0.0377(6) 0.7755(7) 0.2330(3) 0.082(3) Uani 1 1 d . . . . .
H49 H -0.042771 0.828926 0.251162 0.098 Uiso 1 1 calc R . . . .
C50 C 0.3380(4) 0.0913(5) 0.3915(3) 0.0555(17) Uani 1 1 d . . . . .
H50 H 0.378250 0.061291 0.374985 0.067 Uiso 1 1 calc R . . . .
C51 C 0.3322(4) 0.0935(5) 0.4437(3) 0.0533(16) Uani 1 1 d . . . . .
H51 H 0.368407 0.064157 0.468687 0.064 Uiso 1 1 calc R . . . .
C52 C 0.2651(4) 0.1453(5) 0.4537(2) 0.065(2) Uani 1 1 d . . . . .
H52 H 0.241103 0.147685 0.486720 0.078 Uiso 1 1 calc R . . . .
C53 C 0.2259(3) 0.1761(4) 0.4058(3) 0.0535(17) Uani 1 1 d . . . . .
H53 H 0.169558 0.201811 0.399277 0.064 Uiso 1 1 calc R . . . .
C54 C 0.2735(4) 0.1416(4) 0.3689(2) 0.0472(15) Uani 1 1 d . . . . .
H54 H 0.256227 0.143060 0.331502 0.057 Uiso 1 1 calc R . . . .
C55 C 0.3250(6) 0.4398(4) 0.4127(3) 0.067(2) Uani 1 1 d . . . . .
H55 H 0.330653 0.484168 0.440923 0.081 Uiso 1 1 calc R . . . .
C56 C 0.2540(4) 0.3915(5) 0.3959(3) 0.068(2) Uani 1 1 d . . . . .
H56 H 0.200951 0.395714 0.410953 0.082 Uiso 1 1 calc R . . . .
C57 C 0.2622(4) 0.3564(5) 0.3496(3) 0.0619(19) Uani 1 1 d . . . . .
H57 H 0.221458 0.323775 0.329171 0.074 Uiso 1 1 calc R . . . .
C58 C 0.3402(4) 0.3762(5) 0.3369(2) 0.0542(17) Uani 1 1 d . . . . .
H58 H 0.359725 0.364673 0.303144 0.065 Uiso 1 1 calc R . . . .
C59 C 0.3808(4) 0.4279(5) 0.3751(4) 0.073(2) Uani 1 1 d . . . . .
H59 H 0.432665 0.461828 0.372907 0.087 Uiso 1 1 calc R . . . .
C60 C 0.5218(4) 0.2864(7) 0.4710(2) 0.067(2) Uani 1 1 d . . . . .
H60 H 0.573993 0.286727 0.454887 0.080 Uiso 1 1 calc R . . . .
C61 C 0.4878(5) 0.2127(6) 0.4918(3) 0.067(2) Uani 1 1 d . . . . .
H61 H 0.512541 0.152055 0.493416 0.080 Uiso 1 1 calc R . . . .
C62 C 0.4232(5) 0.2399(7) 0.5186(2) 0.071(2) Uani 1 1 d . . . . .
H62 H 0.395437 0.202294 0.542532 0.085 Uiso 1 1 calc R . . . .
C63 C 0.4160(5) 0.3322(7) 0.5140(2) 0.071(3) Uani 1 1 d . . . . .
H63 H 0.381881 0.370572 0.533988 0.086 Uiso 1 1 calc R . . . .
C64 C 0.4790(5) 0.3633(5) 0.4847(3) 0.067(2) Uani 1 1 d . . . . .
H64 H 0.489855 0.422913 0.476238 0.080 Uiso 1 1 calc R . . . .
C65 C -0.0301(5) 0.7760(6) 0.0477(3) 0.0618(19) Uani 1 1 d . . . . .
H65 H -0.003373 0.732023 0.069127 0.074 Uiso 1 1 calc R . . . .
C66 C -0.0702(5) 0.7541(5) 0.0006(3) 0.0615(19) Uani 1 1 d . . . . .
H66 H -0.069839 0.694405 -0.010458 0.074 Uiso 1 1 calc R . . . .
C67 C -0.1108(4) 0.8169(5) -0.0305(3) 0.0549(17) Uani 1 1 d . . . . .
H67 H -0.138363 0.799440 -0.062361 0.066 Uiso 1 1 calc R . . . .
C68 C -0.1120(4) 0.9075(5) -0.0158(3) 0.0566(17) Uani 1 1 d . . . . .
C69 C -0.0683(4) 0.9298(5) 0.0314(3) 0.0632(19) Uani 1 1 d . . . . .
H69 H -0.065179 0.989951 0.041758 0.076 Uiso 1 1 calc R . . . .
C70 C -0.0300(5) 0.8655(6) 0.0628(2) 0.066(2) Uani 1 1 d . . . . .
H70 H -0.003159 0.881906 0.095038 0.079 Uiso 1 1 calc R . . . .
C71 C -0.1574(6) 0.9763(7) -0.0497(4) 0.106(3) Uani 1 1 d . . . . .
H71A H -0.183647 0.947742 -0.080551 0.160 Uiso 1 1 calc R . . . .
H71B H -0.199406 1.004493 -0.031663 0.160 Uiso 1 1 calc R . . . .
H71C H -0.118692 1.021269 -0.058928 0.160 Uiso 1 1 calc R . . . .


_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
Yb2 C36 2.670(5) . ?
Yb2 C38 2.671(6) . ?
Yb2 C40A 2.674(15) . ?
Yb2 C41 2.661(14) . ?
Yb2 C41A 2.648(16) . ?
Yb2 C42 2.67(2) . ?
Yb2 C42A 2.52(4) . ?
Yb2 C43 2.673(11) . ?
Yb2 C43A 2.65(3) . ?
Yb2 C45 2.651(6) . ?
Yb2 C46 2.629(5) . ?
Yb2 C47 2.648(5) . ?
Yb1 C52 2.675(6) . ?
Yb1 C53 2.655(6) . ?
Yb1 C54 2.675(6) . ?
Yb1 C55 2.636(6) . ?
Yb1 C56 2.618(7) . ?
Yb1 C58 2.688(6) . ?
Yb1 C59 2.657(6) . ?
Yb1 C60 2.676(6) . ?
Yb1 C61 2.648(6) . ?
Yb1 C62 2.642(6) . ?
Yb1 C63 2.646(6) . ?
Yb1 C64 2.698(6) . ?
P1 C1 1.779(5) . ?
P1 C8 1.717(4) . ?
P2 C18 1.775(5) . ?
P2 C25 1.725(5) . ?
N1 H1 0.8600 . ?
N1 C6 1.386(6) . ?
N1 C8 1.357(6) . ?
N2 H2A 0.8600 . ?
N2 C23 1.376(6) . ?
N2 C25 1.350(6) . ?
C1 C2 1.402(6) . ?
C1 C6 1.410(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.382(7) . ?
C3 C4 1.401(8) . ?
C3 C7 1.516(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.378(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.388(7) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.483(6) . ?
C9 C10 1.395(7) . ?
C9 C14 1.398(7) . ?
C10 C11 1.395(7) . ?
C10 C15 1.500(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.384(8) . ?
C12 C13 1.376(8) . ?
C12 C16 1.521(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.404(7) . ?
C14 C17 1.499(7) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.411(7) . ?
C18 C23 1.392(7) . ?
C19 H19 0.9300 . ?
C19 C20 1.360(7) . ?
C20 C21 1.401(8) . ?
C20 C24 1.521(7) . ?
C21 H21 0.9300 . ?
C21 C22 1.373(7) . ?
C22 H22 0.9300 . ?
C22 C23 1.405(7) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C31 1.486(6) . ?
C26 C27 1.387(7) . ?
C26 C31 1.408(7) . ?
C26 C32 1.490(7) . ?
C27 H27 0.9300 . ?
C27 C28 1.395(8) . ?
C28 C29 1.383(7) . ?
C28 C33 1.517(7) . ?
C29 H29 0.9300 . ?
C29 C30 1.388(6) . ?
C30 C31 1.396(7) . ?
C30 C34 1.515(7) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35 0.9300 . ?
C35 C36 1.358(10) . ?
C35 C39 1.379(10) . ?
C36 H36 0.9800 . ?
C36 C37 1.359(9) . ?
C37 H37 0.9300 . ?
C37 C38 1.415(9) . ?
C38 H38 0.9800 . ?
C38 C39 1.348(10) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C40 C41 1.409(19) . ?
C40 C44 1.375(17) . ?
C40A H40A 0.9300 . ?
C40A C41A 1.44(2) . ?
C40A C44A 1.37(2) . ?
C41 H41 0.9300 . ?
C41 C42 1.38(3) . ?
C41A H41A 0.9300 . ?
C41A C42A 1.38(3) . ?
C42 H42 0.9800 . ?
C42 C43 1.39(2) . ?
C42A H42A 0.9300 . ?
C42A C43A 1.43(5) . ?
C43 H43 0.9800 . ?
C43 C44 1.414(16) . ?
C43A H43A 0.9800 . ?
C43A C44A 1.40(3) . ?
C44 H44 0.9300 . ?
C44A H44A 0.9300 . ?
C45 H45 0.9800 . ?
C45 C46 1.393(10) . ?
C45 C49 1.426(11) . ?
C46 H46 0.9800 . ?
C46 C47 1.380(10) . ?
C47 H47 0.9800 . ?
C47 C48 1.359(12) . ?
C48 H48 0.9300 . ?
C48 C49 1.375(12) . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?
C50 C51 1.370(9) . ?
C50 C54 1.356(9) . ?
C51 H51 0.9300 . ?
C51 C52 1.372(10) . ?
C52 H52 0.9800 . ?
C52 C53 1.406(9) . ?
C53 H53 0.9800 . ?
C53 C54 1.392(9) . ?
C54 H54 0.9800 . ?
C55 H55 0.9800 . ?
C55 C56 1.377(11) . ?
C55 C59 1.413(10) . ?
C56 H56 0.9800 . ?
C56 C57 1.331(10) . ?
C57 H57 0.9300 . ?
C57 C58 1.364(10) . ?
C58 H58 0.9800 . ?
C58 C59 1.360(10) . ?
C59 H59 0.9800 . ?
C60 H60 0.9800 . ?
C60 C61 1.360(11) . ?
C60 C64 1.396(11) . ?
C61 H61 0.9800 . ?
C61 C62 1.375(11) . ?
C62 H62 0.9800 . ?
C62 C63 1.374(11) . ?
C63 H63 0.9800 . ?
C63 C64 1.412(11) . ?
C64 H64 0.9300 . ?
C65 H65 0.9300 . ?
C65 C66 1.355(9) . ?
C65 C70 1.381(11) . ?
C66 H66 0.9300 . ?
C66 C67 1.351(9) . ?
C67 H67 0.9300 . ?
C67 C68 1.395(10) . ?
C68 C69 1.383(9) . ?
C68 C71 1.484(11) . ?
C69 H69 0.9300 . ?
C69 C70 1.356(10) . ?
C70 H70 0.9300 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?

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
C36 Yb2 C38 49.41(19) . . ?
C36 Yb2 C40A 133.7(5) . . ?
C36 Yb2 C42 94.4(5) . . ?
C36 Yb2 C43 124.3(3) . . ?
C38 Yb2 C40A 128.8(6) . . ?
C38 Yb2 C42 87.0(4) . . ?
C38 Yb2 C43 109.5(4) . . ?
C41 Yb2 C36 78.2(4) . . ?
C41 Yb2 C38 95.2(4) . . ?
C41 Yb2 C42 30.0(6) . . ?
C41 Yb2 C43 50.0(4) . . ?
C41A Yb2 C36 122.4(4) . . ?
C41A Yb2 C38 98.2(5) . . ?
C41A Yb2 C40A 31.4(5) . . ?
C41A Yb2 C45 122.3(5) . . ?
C42A Yb2 C36 92.0(7) . . ?
C42A Yb2 C38 81.4(6) . . ?
C42A Yb2 C40A 50.4(7) . . ?
C42A Yb2 C41A 30.9(7) . . ?
C42A Yb2 C43A 32.0(10) . . ?
C42A Yb2 C45 151.0(7) . . ?
C42A Yb2 C46 122.3(7) . . ?
C42A Yb2 C47 101.1(7) . . ?
C43 Yb2 C42 30.2(4) . . ?
C43A Yb2 C36 84.1(5) . . ?
C43A Yb2 C38 99.5(6) . . ?
C43A Yb2 C40A 49.6(6) . . ?
C43A Yb2 C41A 51.9(8) . . ?
C43A Yb2 C45 161.4(6) . . ?
C43A Yb2 C47 122.4(6) . . ?
C45 Yb2 C36 110.2(2) . . ?
C45 Yb2 C38 98.8(3) . . ?
C45 Yb2 C40A 115.0(4) . . ?
C45 Yb2 C41 165.9(4) . . ?
C45 Yb2 C42 152.0(5) . . ?
C45 Yb2 C43 124.9(3) . . ?
C46 Yb2 C36 117.9(2) . . ?
C46 Yb2 C38 83.6(2) . . ?
C46 Yb2 C40A 106.2(5) . . ?
C46 Yb2 C41 154.7(4) . . ?
C46 Yb2 C41A 98.8(5) . . ?
C46 Yb2 C42 125.1(5) . . ?
C46 Yb2 C43 106.6(3) . . ?
C46 Yb2 C43A 150.7(7) . . ?
C46 Yb2 C45 30.6(2) . . ?
C46 Yb2 C47 30.3(2) . . ?
C47 Yb2 C36 146.2(2) . . ?
C47 Yb2 C38 101.6(2) . . ?
C47 Yb2 C40A 76.0(5) . . ?
C47 Yb2 C41 127.6(4) . . ?
C47 Yb2 C41A 72.3(5) . . ?
C47 Yb2 C42 101.7(5) . . ?
C47 Yb2 C43 77.7(3) . . ?
C47 Yb2 C45 50.3(2) . . ?
C52 Yb1 C54 49.18(18) . . ?
C52 Yb1 C58 127.8(2) . . ?
C52 Yb1 C60 118.7(3) . . ?
C52 Yb1 C64 122.8(2) . . ?
C53 Yb1 C52 30.6(2) . . ?
C53 Yb1 C54 30.26(19) . . ?
C53 Yb1 C58 97.3(2) . . ?
C53 Yb1 C59 120.1(2) . . ?
C53 Yb1 C60 148.6(3) . . ?
C53 Yb1 C64 148.5(2) . . ?
C54 Yb1 C58 88.9(2) . . ?
C54 Yb1 C60 139.4(2) . . ?
C54 Yb1 C64 166.9(2) . . ?
C55 Yb1 C52 120.6(3) . . ?
C55 Yb1 C53 105.5(2) . . ?
C55 Yb1 C54 120.4(2) . . ?
C55 Yb1 C58 49.3(2) . . ?
C55 Yb1 C59 31.0(2) . . ?
C55 Yb1 C60 99.2(3) . . ?
C55 Yb1 C61 121.0(2) . . ?
C55 Yb1 C62 106.3(3) . . ?
C55 Yb1 C63 76.7(3) . . ?
C55 Yb1 C64 72.1(3) . . ?
C56 Yb1 C52 96.1(3) . . ?
C56 Yb1 C53 75.6(2) . . ?
C56 Yb1 C54 91.2(3) . . ?
C56 Yb1 C55 30.4(2) . . ?
C56 Yb1 C58 48.8(2) . . ?
C56 Yb1 C59 50.1(2) . . ?
C56 Yb1 C60 129.2(3) . . ?
C56 Yb1 C61 145.1(3) . . ?
C56 Yb1 C62 119.5(3) . . ?
C56 Yb1 C63 95.4(3) . . ?
C56 Yb1 C64 100.5(3) . . ?
C58 Yb1 C64 103.3(2) . . ?
C59 Yb1 C52 146.0(2) . . ?
C59 Yb1 C54 118.0(2) . . ?
C59 Yb1 C58 29.5(2) . . ?
C59 Yb1 C60 91.0(3) . . ?
C59 Yb1 C64 74.5(3) . . ?
C60 Yb1 C58 113.5(3) . . ?
C60 Yb1 C64 30.1(2) . . ?
C61 Yb1 C52 89.3(3) . . ?
C61 Yb1 C53 119.0(3) . . ?
C61 Yb1 C54 117.4(2) . . ?
C61 Yb1 C58 142.5(3) . . ?
C61 Yb1 C59 120.1(3) . . ?
C61 Yb1 C60 29.6(2) . . ?
C61 Yb1 C64 49.5(2) . . ?
C62 Yb1 C52 74.2(2) . . ?
C62 Yb1 C53 104.0(2) . . ?
C62 Yb1 C54 118.7(2) . . ?
C62 Yb1 C58 151.8(3) . . ?
C62 Yb1 C59 122.3(3) . . ?
C62 Yb1 C60 49.5(2) . . ?
C62 Yb1 C61 30.1(2) . . ?
C62 Yb1 C63 30.1(2) . . ?
C62 Yb1 C64 50.0(2) . . ?
C63 Yb1 C52 93.9(3) . . ?
C63 Yb1 C53 117.9(2) . . ?
C63 Yb1 C54 143.0(2) . . ?
C63 Yb1 C58 122.3(3) . . ?
C63 Yb1 C59 93.4(3) . . ?
C63 Yb1 C60 49.8(2) . . ?
C63 Yb1 C61 49.7(2) . . ?
C63 Yb1 C64 30.6(2) . . ?
C1 P1 Yb1 129.83(16) . . ?
C8 P1 Yb1 139.21(15) . . ?
C8 P1 C1 90.6(2) . . ?
C18 P2 Yb2 128.15(17) . . ?
C25 P2 Yb2 140.19(18) . . ?
C25 P2 C18 90.7(2) . . ?
C6 N1 H1 122.4 . . ?
C8 N1 H1 122.4 . . ?
C8 N1 C6 115.1(4) . . ?
C23 N2 H2A 122.5 . . ?
C25 N2 H2A 122.5 . . ?
C25 N2 C23 115.1(4) . . ?
C2 C1 P1 131.5(4) . . ?
C2 C1 C6 118.4(4) . . ?
C6 C1 P1 110.1(3) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.5(5) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 C4 119.1(5) . . ?
C2 C3 C7 121.3(5) . . ?
C4 C3 C7 119.6(5) . . ?
C3 C4 H4 118.9 . . ?
C5 C4 C3 122.2(5) . . ?
C5 C4 H4 118.9 . . ?
C4 C5 H5 121.0 . . ?
C4 C5 C6 118.0(5) . . ?
C6 C5 H5 121.0 . . ?
N1 C6 C1 111.7(4) . . ?
N1 C6 C5 126.4(5) . . ?
C5 C6 C1 121.8(5) . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 P1 112.5(3) . . ?
N1 C8 C9 119.5(4) . . ?
C9 C8 P1 128.1(3) . . ?
C10 C9 C8 119.3(4) . . ?
C10 C9 C14 120.6(4) . . ?
C14 C9 C8 120.1(4) . . ?
C9 C10 C11 118.9(5) . . ?
C9 C10 C15 121.9(4) . . ?
C11 C10 C15 119.2(5) . . ?
C10 C11 H11 119.2 . . ?
C12 C11 C10 121.6(5) . . ?
C12 C11 H11 119.2 . . ?
C11 C12 C16 120.1(6) . . ?
C13 C12 C11 118.6(5) . . ?
C13 C12 C16 121.3(5) . . ?
C12 C13 H13 119.0 . . ?
C12 C13 C14 121.9(5) . . ?
C14 C13 H13 119.0 . . ?
C9 C14 C13 118.3(5) . . ?
C9 C14 C17 122.0(4) . . ?
C13 C14 C17 119.6(5) . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 P2 131.5(4) . . ?
C23 C18 P2 109.6(3) . . ?
C23 C18 C19 118.9(5) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 C18 121.1(5) . . ?
C20 C19 H19 119.5 . . ?
C19 C20 C21 118.8(5) . . ?
C19 C20 C24 120.6(5) . . ?
C21 C20 C24 120.6(5) . . ?
C20 C21 H21 118.8 . . ?
C22 C21 C20 122.3(5) . . ?
C22 C21 H21 118.8 . . ?
C21 C22 H22 120.9 . . ?
C21 C22 C23 118.2(5) . . ?
C23 C22 H22 120.9 . . ?
N2 C23 C18 112.9(4) . . ?
N2 C23 C22 126.5(5) . . ?
C18 C23 C22 120.6(4) . . ?
C20 C24 H24A 109.5 . . ?
C20 C24 H24B 109.5 . . ?
C20 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N2 C25 P2 111.7(3) . . ?
N2 C25 C31 119.0(4) . . ?
C31 C25 P2 129.3(4) . . ?
C27 C26 C31 118.5(5) . . ?
C27 C26 C32 119.9(5) . . ?
C31 C26 C32 121.5(5) . . ?
C26 C27 H27 119.0 . . ?
C26 C27 C28 122.1(5) . . ?
C28 C27 H27 119.0 . . ?
C27 C28 C33 121.3(5) . . ?
C29 C28 C27 118.2(5) . . ?
C29 C28 C33 120.4(5) . . ?
C28 C29 H29 119.2 . . ?
C28 C29 C30 121.5(5) . . ?
C30 C29 H29 119.2 . . ?
C29 C30 C31 119.6(5) . . ?
C29 C30 C34 118.9(5) . . ?
C31 C30 C34 121.5(4) . . ?
C26 C31 C25 120.0(4) . . ?
C30 C31 C25 120.0(4) . . ?
C30 C31 C26 120.0(4) . . ?
C26 C32 H32A 109.5 . . ?
C26 C32 H32B 109.5 . . ?
C26 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C34 H34A 109.5 . . ?
C30 C34 H34B 109.5 . . ?
C30 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Yb2 C35 H35 115.4 . . ?
C36 C35 Yb2 75.0(3) . . ?
C36 C35 H35 126.2 . . ?
C36 C35 C39 107.6(7) . . ?
C39 C35 Yb2 75.6(4) . . ?
C39 C35 H35 126.2 . . ?
Yb2 C36 H36 124.8 . . ?
C35 C36 Yb2 75.6(3) . . ?
C35 C36 H36 124.8 . . ?
C35 C36 C37 109.1(6) . . ?
C37 C36 Yb2 76.5(3) . . ?
C37 C36 H36 124.8 . . ?
Yb2 C37 H37 117.8 . . ?
C36 C37 Yb2 74.2(3) . . ?
C36 C37 H37 126.4 . . ?
C36 C37 C38 107.1(6) . . ?
C38 C37 Yb2 73.6(3) . . ?
C38 C37 H37 126.4 . . ?
Yb2 C38 H38 125.7 . . ?
C37 C38 Yb2 75.8(3) . . ?
C37 C38 H38 125.7 . . ?
C39 C38 Yb2 76.2(4) . . ?
C39 C38 C37 106.9(6) . . ?
C39 C38 H38 125.7 . . ?
Yb2 C39 H39 117.3 . . ?
C35 C39 Yb2 74.6(3) . . ?
C35 C39 H39 125.4 . . ?
C38 C39 Yb2 74.6(4) . . ?
C38 C39 C35 109.2(6) . . ?
C38 C39 H39 125.4 . . ?
Yb2 C40 H40 118.1 . . ?
C41 C40 Yb2 72.9(7) . . ?
C41 C40 H40 125.1 . . ?
C44 C40 Yb2 75.6(6) . . ?
C44 C40 H40 125.1 . . ?
C44 C40 C41 109.8(11) . . ?
Yb2 C40A H40A 118.7 . . ?
C41A C40A Yb2 73.3(8) . . ?
C41A C40A H40A 124.1 . . ?
C44A C40A Yb2 75.4(8) . . ?
C44A C40A H40A 124.1 . . ?
C44A C40A C41A 111.7(15) . . ?
Yb2 C41 H41 113.7 . . ?
C40 C41 Yb2 76.8(7) . . ?
C40 C41 H41 126.6 . . ?
C42 C41 Yb2 75.5(11) . . ?
C42 C41 C40 106.8(13) . . ?
C42 C41 H41 126.6 . . ?
Yb2 C41A H41A 119.2 . . ?
C40A C41A Yb2 75.3(8) . . ?
C40A C41A H41A 128.3 . . ?
C42A C41A Yb2 69.5(17) . . ?
C42A C41A C40A 103.5(17) . . ?
C42A C41A H41A 128.3 . . ?
Yb2 C42 H42 125.2 . . ?
C41 C42 Yb2 74.5(12) . . ?
C41 C42 H42 125.2 . . ?
C41 C42 C43 108.7(16) . . ?
C43 C42 Yb2 74.9(11) . . ?
C43 C42 H42 125.2 . . ?
Yb2 C42A H42A 109.4 . . ?
C41A C42A Yb2 79.5(18) . . ?
C41A C42A H42A 124.6 . . ?
C41A C42A C43A 111(2) . . ?
C43A C42A Yb2 79(2) . . ?
C43A C42A H42A 124.6 . . ?
Yb2 C43 H43 125.3 . . ?
C42 C43 Yb2 74.9(11) . . ?
C42 C43 H43 125.3 . . ?
C42 C43 C44 108.1(12) . . ?
C44 C43 Yb2 76.6(6) . . ?
C44 C43 H43 125.3 . . ?
Yb2 C43A H43A 126.3 . . ?
C42A C43A Yb2 69(2) . . ?
C42A C43A H43A 126.3 . . ?
C44A C43A Yb2 76.2(15) . . ?
C44A C43A C42A 107(2) . . ?
C44A C43A H43A 126.3 . . ?
Yb2 C44 H44 117.4 . . ?
C40 C44 Yb2 75.0(7) . . ?
C40 C44 C43 106.5(11) . . ?
C40 C44 H44 126.7 . . ?
C43 C44 Yb2 73.0(6) . . ?
C43 C44 H44 126.7 . . ?
Yb2 C44A H44A 117.4 . . ?
C40A C44A Yb2 74.8(9) . . ?
C40A C44A C43A 106.9(18) . . ?
C40A C44A H44A 126.5 . . ?
C43A C44A Yb2 73.3(15) . . ?
C43A C44A H44A 126.5 . . ?
Yb2 C45 H45 126.4 . . ?
C46 C45 Yb2 73.8(3) . . ?
C46 C45 H45 126.4 . . ?
C46 C45 C49 105.6(7) . . ?
C49 C45 Yb2 76.6(4) . . ?
C49 C45 H45 126.4 . . ?
Yb2 C46 H46 125.1 . . ?
C45 C46 Yb2 75.6(3) . . ?
C45 C46 H46 125.1 . . ?
C47 C46 Yb2 75.6(3) . . ?
C47 C46 C45 108.7(7) . . ?
C47 C46 H46 125.1 . . ?
Yb2 C47 H47 124.8 . . ?
C46 C47 Yb2 74.1(3) . . ?
C46 C47 H47 124.8 . . ?
C48 C47 Yb2 77.8(4) . . ?
C48 C47 C46 109.1(8) . . ?
C48 C47 H47 124.8 . . ?
Yb2 C48 H48 118.3 . . ?
C47 C48 Yb2 72.8(4) . . ?
C47 C48 H48 125.8 . . ?
C47 C48 C49 108.4(8) . . ?
C49 C48 Yb2 75.0(4) . . ?
C49 C48 H48 125.8 . . ?
Yb2 C49 H49 118.0 . . ?
C45 C49 Yb2 72.5(4) . . ?
C45 C49 H49 125.9 . . ?
C48 C49 Yb2 75.5(4) . . ?
C48 C49 C45 108.2(7) . . ?
C48 C49 H49 125.9 . . ?
Yb1 C50 H50 117.9 . . ?
C51 C50 Yb1 74.9(4) . . ?
C51 C50 H50 126.8 . . ?
C54 C50 Yb1 72.5(4) . . ?
C54 C50 H50 126.8 . . ?
C54 C50 C51 106.4(6) . . ?
Yb1 C51 H51 117.7 . . ?
C50 C51 Yb1 76.2(4) . . ?
C50 C51 H51 124.9 . . ?
C50 C51 C52 110.2(6) . . ?
C52 C51 Yb1 72.9(4) . . ?
C52 C51 H51 124.9 . . ?
Yb1 C52 H52 125.6 . . ?
C51 C52 Yb1 77.7(4) . . ?
C51 C52 H52 125.6 . . ?
C51 C52 C53 107.2(6) . . ?
C53 C52 Yb1 73.9(3) . . ?
C53 C52 H52 125.6 . . ?
Yb1 C53 H53 126.3 . . ?
C52 C53 Yb1 75.5(3) . . ?
C52 C53 H53 126.3 . . ?
C54 C53 Yb1 75.7(3) . . ?
C54 C53 C52 105.4(6) . . ?
C54 C53 H53 126.3 . . ?
Yb1 C54 H54 124.1 . . ?
C50 C54 Yb1 78.6(4) . . ?
C50 C54 C53 110.8(6) . . ?
C50 C54 H54 124.1 . . ?
C53 C54 Yb1 74.1(3) . . ?
C53 C54 H54 124.1 . . ?
Yb1 C55 H55 126.1 . . ?
C56 C55 Yb1 74.1(4) . . ?
C56 C55 H55 126.1 . . ?
C56 C55 C59 106.5(7) . . ?
C59 C55 Yb1 75.3(4) . . ?
C59 C55 H55 126.1 . . ?
Yb1 C56 H56 124.6 . . ?
C55 C56 Yb1 75.5(4) . . ?
C55 C56 H56 124.6 . . ?
C57 C56 Yb1 78.9(4) . . ?
C57 C56 C55 109.1(7) . . ?
C57 C56 H56 124.6 . . ?
Yb1 C57 H57 119.1 . . ?
C56 C57 Yb1 72.2(4) . . ?
C56 C57 H57 125.6 . . ?
C56 C57 C58 108.8(7) . . ?
C58 C57 Yb1 74.9(4) . . ?
C58 C57 H57 125.6 . . ?
Yb1 C58 H58 125.1 . . ?
C57 C58 Yb1 75.8(4) . . ?
C57 C58 H58 125.1 . . ?
C59 C58 Yb1 74.0(4) . . ?
C59 C58 C57 108.9(7) . . ?
C59 C58 H58 125.1 . . ?
Yb1 C59 H59 126.0 . . ?
C55 C59 Yb1 73.7(4) . . ?
C55 C59 H59 126.0 . . ?
C58 C59 Yb1 76.6(4) . . ?
C58 C59 C55 106.6(6) . . ?
C58 C59 H59 126.0 . . ?
Yb1 C60 H60 125.2 . . ?
C61 C60 Yb1 74.1(3) . . ?
C61 C60 H60 125.2 . . ?
C61 C60 C64 108.7(7) . . ?
C64 C60 Yb1 75.8(4) . . ?
C64 C60 H60 125.2 . . ?
Yb1 C61 H61 124.9 . . ?
C60 C61 Yb1 76.3(4) . . ?
C60 C61 H61 124.9 . . ?
C60 C61 C62 109.1(7) . . ?
C62 C61 Yb1 74.7(4) . . ?
C62 C61 H61 124.9 . . ?
Yb1 C62 H62 125.4 . . ?
C61 C62 Yb1 75.2(4) . . ?
C61 C62 H62 125.4 . . ?
C63 C62 Yb1 75.1(4) . . ?
C63 C62 C61 107.9(7) . . ?
C63 C62 H62 125.4 . . ?
Yb1 C63 H63 125.2 . . ?
C62 C63 Yb1 74.8(4) . . ?
C62 C63 H63 125.2 . . ?
C62 C63 C64 108.2(7) . . ?
C64 C63 Yb1 76.7(3) . . ?
C64 C63 H63 125.2 . . ?
Yb1 C64 H64 118.4 . . ?
C60 C64 Yb1 74.1(3) . . ?
C60 C64 C63 106.0(7) . . ?
C60 C64 H64 127.0 . . ?
C63 C64 Yb1 72.6(4) . . ?
C63 C64 H64 127.0 . . ?
C66 C65 H65 121.0 . . ?
C66 C65 C70 118.1(7) . . ?
C70 C65 H65 121.0 . . ?
C65 C66 H66 119.2 . . ?
C67 C66 C65 121.7(7) . . ?
C67 C66 H66 119.2 . . ?
C66 C67 H67 119.4 . . ?
C66 C67 C68 121.2(6) . . ?
C68 C67 H67 119.4 . . ?
C67 C68 C71 121.2(7) . . ?
C69 C68 C67 116.8(7) . . ?
C69 C68 C71 122.0(8) . . ?
C68 C69 H69 119.4 . . ?
C70 C69 C68 121.2(7) . . ?
C70 C69 H69 119.4 . . ?
C65 C70 H70 119.5 . . ?
C69 C70 C65 121.0(7) . . ?
C69 C70 H70 119.5 . . ?
C68 C71 H71A 109.5 . . ?
C68 C71 H71B 109.5 . . ?
C68 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Yb2 P2 C18 C19 -10.2(7) . . . . ?
Yb2 P2 C18 C23 169.5(3) . . . . ?
Yb2 P2 C25 N2 -167.3(2) . . . . ?
Yb2 P2 C25 C31 14.8(7) . . . . ?
Yb2 C35 C36 C37 69.9(4) . . . . ?
Yb2 C35 C39 C38 -67.2(5) . . . . ?
Yb2 C36 C37 C38 66.8(4) . . . . ?
Yb2 C37 C38 C39 70.6(4) . . . . ?
Yb2 C38 C39 C35 67.2(5) . . . . ?
Yb2 C40 C41 C42 -70.1(13) . . . . ?
Yb2 C40 C44 C43 66.7(7) . . . . ?
Yb2 C40A C41A C42A 64.2(18) . . . . ?
Yb2 C40A C44A C43A -66.9(17) . . . . ?
Yb2 C41 C42 C43 -67.7(14) . . . . ?
Yb2 C41A C42A C43A 74(3) . . . . ?
Yb2 C42 C43 C44 -70.1(8) . . . . ?
Yb2 C42A C43A C44A 68(2) . . . . ?
Yb2 C43 C44 C40 -68.1(7) . . . . ?
Yb2 C43A C44A C40A 67.9(13) . . . . ?
Yb2 C45 C46 C47 69.1(4) . . . . ?
Yb2 C45 C49 C48 -67.7(5) . . . . ?
Yb2 C46 C47 C48 70.7(5) . . . . ?
Yb2 C47 C48 C49 67.2(5) . . . . ?
Yb2 C48 C49 C45 65.7(4) . . . . ?
Yb1 P1 C1 C2 7.2(7) . . . . ?
Yb1 P1 C1 C6 -173.7(3) . . . . ?
Yb1 P1 C8 N1 172.9(2) . . . . ?
Yb1 P1 C8 C9 -7.7(6) . . . . ?
Yb1 C50 C51 C52 65.6(5) . . . . ?
Yb1 C50 C54 C53 -67.9(4) . . . . ?
Yb1 C51 C52 C53 68.7(4) . . . . ?
Yb1 C52 C53 C54 70.3(4) . . . . ?
Yb1 C53 C54 C50 70.8(4) . . . . ?
Yb1 C55 C56 C57 -72.5(5) . . . . ?
Yb1 C55 C59 C58 70.1(5) . . . . ?
Yb1 C56 C57 C58 -66.5(5) . . . . ?
Yb1 C57 C58 C59 -67.2(5) . . . . ?
Yb1 C58 C59 C55 -68.1(4) . . . . ?
Yb1 C60 C61 C62 -68.2(4) . . . . ?
Yb1 C60 C64 C63 66.1(4) . . . . ?
Yb1 C61 C62 C63 -68.6(5) . . . . ?
Yb1 C62 C63 C64 -70.1(5) . . . . ?
Yb1 C63 C64 C60 -67.1(4) . . . . ?
P1 C1 C2 C3 176.9(5) . . . . ?
P1 C1 C6 N1 -0.5(6) . . . . ?
P1 C1 C6 C5 -178.1(5) . . . . ?
P1 C8 C9 C10 -88.9(5) . . . . ?
P1 C8 C9 C14 89.2(6) . . . . ?
P2 C18 C19 C20 -180.0(4) . . . . ?
P2 C18 C23 N2 0.8(5) . . . . ?
P2 C18 C23 C22 -179.4(4) . . . . ?
P2 C25 C31 C26 -97.0(5) . . . . ?
P2 C25 C31 C30 83.5(6) . . . . ?
N1 C8 C9 C10 90.3(6) . . . . ?
N1 C8 C9 C14 -91.5(6) . . . . ?
N2 C25 C31 C26 85.3(6) . . . . ?
N2 C25 C31 C30 -94.3(6) . . . . ?
C1 P1 C8 N1 0.0(4) . . . . ?
C1 P1 C8 C9 179.3(5) . . . . ?
C1 C2 C3 C4 2.4(9) . . . . ?
C1 C2 C3 C7 -177.2(6) . . . . ?
C2 C1 C6 N1 178.7(5) . . . . ?
C2 C1 C6 C5 1.0(8) . . . . ?
C2 C3 C4 C5 -1.7(9) . . . . ?
C3 C4 C5 C6 0.7(9) . . . . ?
C4 C5 C6 N1 -177.7(5) . . . . ?
C4 C5 C6 C1 -0.4(9) . . . . ?
C6 N1 C8 P1 -0.2(6) . . . . ?
C6 N1 C8 C9 -179.6(4) . . . . ?
C6 C1 C2 C3 -2.0(8) . . . . ?
C7 C3 C4 C5 177.8(6) . . . . ?
C8 P1 C1 C2 -178.7(6) . . . . ?
C8 P1 C1 C6 0.3(4) . . . . ?
C8 N1 C6 C1 0.4(6) . . . . ?
C8 N1 C6 C5 178.0(5) . . . . ?
C8 C9 C10 C11 179.0(4) . . . . ?
C8 C9 C10 C15 0.7(7) . . . . ?
C8 C9 C14 C13 -177.7(4) . . . . ?
C8 C9 C14 C17 1.0(7) . . . . ?
C9 C10 C11 C12 -1.7(8) . . . . ?
C10 C9 C14 C13 0.4(7) . . . . ?
C10 C9 C14 C17 179.1(5) . . . . ?
C10 C11 C12 C13 1.2(8) . . . . ?
C10 C11 C12 C16 -177.6(5) . . . . ?
C11 C12 C13 C14 0.2(8) . . . . ?
C12 C13 C14 C9 -1.0(7) . . . . ?
C12 C13 C14 C17 -179.6(5) . . . . ?
C14 C9 C10 C11 0.8(7) . . . . ?
C14 C9 C10 C15 -177.5(5) . . . . ?
C15 C10 C11 C12 176.7(5) . . . . ?
C16 C12 C13 C14 179.0(5) . . . . ?
C18 P2 C25 N2 1.1(4) . . . . ?
C18 P2 C25 C31 -176.8(5) . . . . ?
C18 C19 C20 C21 -0.8(8) . . . . ?
C18 C19 C20 C24 177.9(5) . . . . ?
C19 C18 C23 N2 -179.4(5) . . . . ?
C19 C18 C23 C22 0.4(8) . . . . ?
C19 C20 C21 C22 0.6(8) . . . . ?
C20 C21 C22 C23 0.1(8) . . . . ?
C21 C22 C23 N2 179.2(5) . . . . ?
C21 C22 C23 C18 -0.6(8) . . . . ?
C23 N2 C25 P2 -0.9(5) . . . . ?
C23 N2 C25 C31 177.2(4) . . . . ?
C23 C18 C19 C20 0.3(8) . . . . ?
C24 C20 C21 C22 -178.1(5) . . . . ?
C25 P2 C18 C19 179.2(6) . . . . ?
C25 P2 C18 C23 -1.1(4) . . . . ?
C25 N2 C23 C18 0.1(6) . . . . ?
C25 N2 C23 C22 -179.8(5) . . . . ?
C26 C27 C28 C29 -0.8(8) . . . . ?
C26 C27 C28 C33 -179.0(5) . . . . ?
C27 C26 C31 C25 -177.4(5) . . . . ?
C27 C26 C31 C30 2.2(7) . . . . ?
C27 C28 C29 C30 -0.1(7) . . . . ?
C28 C29 C30 C31 2.1(7) . . . . ?
C28 C29 C30 C34 179.7(5) . . . . ?
C29 C30 C31 C25 176.4(4) . . . . ?
C29 C30 C31 C26 -3.1(7) . . . . ?
C31 C26 C27 C28 -0.2(8) . . . . ?
C32 C26 C27 C28 -178.4(5) . . . . ?
C32 C26 C31 C25 0.8(7) . . . . ?
C32 C26 C31 C30 -179.6(5) . . . . ?
C33 C28 C29 C30 178.1(5) . . . . ?
C34 C30 C31 C25 -1.2(7) . . . . ?
C34 C30 C31 C26 179.3(5) . . . . ?
C35 C36 C37 Yb2 -69.2(4) . . . . ?
C35 C36 C37 C38 -2.4(7) . . . . ?
C36 C35 C39 Yb2 68.8(4) . . . . ?
C36 C35 C39 C38 1.6(7) . . . . ?
C36 C37 C38 Yb2 -67.2(4) . . . . ?
C36 C37 C38 C39 3.4(7) . . . . ?
C37 C38 C39 Yb2 -70.3(4) . . . . ?
C37 C38 C39 C35 -3.1(7) . . . . ?
C39 C35 C36 Yb2 -69.3(4) . . . . ?
C39 C35 C36 C37 0.6(7) . . . . ?
C40 C41 C42 Yb2 71.0(9) . . . . ?
C40 C41 C42 C43 3.4(19) . . . . ?
C40A C41A C42A Yb2 -68.4(11) . . . . ?
C40A C41A C42A C43A 5(3) . . . . ?
C41 C40 C44 Yb2 -65.5(9) . . . . ?
C41 C40 C44 C43 1.3(12) . . . . ?
C41 C42 C43 Yb2 67.5(14) . . . . ?
C41 C42 C43 C44 -2.6(19) . . . . ?
C41A C40A C44A Yb2 65.0(11) . . . . ?
C41A C40A C44A C43A -2(2) . . . . ?
C41A C42A C43A Yb2 -74(2) . . . . ?
C41A C42A C43A C44A -7(4) . . . . ?
C42 C43 C44 Yb2 68.9(11) . . . . ?
C42 C43 C44 C40 0.8(14) . . . . ?
C42A C43A C44A Yb2 -63(2) . . . . ?
C42A C43A C44A C40A 5(3) . . . . ?
C44 C40 C41 Yb2 67.3(8) . . . . ?
C44 C40 C41 C42 -2.9(17) . . . . ?
C44A C40A C41A Yb2 -66.3(12) . . . . ?
C44A C40A C41A C42A -2(2) . . . . ?
C45 C46 C47 Yb2 -69.1(4) . . . . ?
C45 C46 C47 C48 1.6(7) . . . . ?
C46 C45 C49 Yb2 68.6(4) . . . . ?
C46 C45 C49 C48 0.9(7) . . . . ?
C46 C47 C48 Yb2 -68.2(4) . . . . ?
C46 C47 C48 C49 -1.0(8) . . . . ?
C47 C48 C49 Yb2 -65.7(5) . . . . ?
C47 C48 C49 C45 0.0(8) . . . . ?
C49 C45 C46 Yb2 -70.6(4) . . . . ?
C49 C45 C46 C47 -1.5(7) . . . . ?
C50 C51 C52 Yb1 -67.7(5) . . . . ?
C50 C51 C52 C53 1.0(8) . . . . ?
C51 C50 C54 Yb1 67.8(5) . . . . ?
C51 C50 C54 C53 -0.1(7) . . . . ?
C51 C52 C53 Yb1 -71.3(5) . . . . ?
C51 C52 C53 C54 -1.0(7) . . . . ?
C52 C53 C54 Yb1 -70.2(4) . . . . ?
C52 C53 C54 C50 0.7(7) . . . . ?
C54 C50 C51 Yb1 -66.2(4) . . . . ?
C54 C50 C51 C52 -0.5(8) . . . . ?
C55 C56 C57 Yb1 70.2(5) . . . . ?
C55 C56 C57 C58 3.7(8) . . . . ?
C56 C55 C59 Yb1 -68.1(5) . . . . ?
C56 C55 C59 C58 2.0(7) . . . . ?
C56 C57 C58 Yb1 64.7(5) . . . . ?
C56 C57 C58 C59 -2.5(8) . . . . ?
C57 C58 C59 Yb1 68.4(5) . . . . ?
C57 C58 C59 C55 0.2(7) . . . . ?
C59 C55 C56 Yb1 69.0(5) . . . . ?
C59 C55 C56 C57 -3.5(8) . . . . ?
C60 C61 C62 Yb1 69.3(4) . . . . ?
C60 C61 C62 C63 0.7(7) . . . . ?
C61 C60 C64 Yb1 -67.4(4) . . . . ?
C61 C60 C64 C63 -1.3(7) . . . . ?
C61 C62 C63 Yb1 68.7(4) . . . . ?
C61 C62 C63 C64 -1.5(8) . . . . ?
C62 C63 C64 Yb1 68.8(5) . . . . ?
C62 C63 C64 C60 1.7(7) . . . . ?
C64 C60 C61 Yb1 68.6(4) . . . . ?
C64 C60 C61 C62 0.4(7) . . . . ?
C65 C66 C67 C68 0.9(11) . . . . ?
C66 C65 C70 C69 -0.5(11) . . . . ?
C66 C67 C68 C69 1.4(10) . . . . ?
C66 C67 C68 C71 -179.2(7) . . . . ?
C67 C68 C69 C70 -3.3(10) . . . . ?
C68 C69 C70 C65 2.9(11) . . . . ?
C70 C65 C66 C67 -1.4(11) . . . . ?
C71 C68 C69 C70 177.3(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_4b
_database_code_depnum_ccdc_archive 'CCDC 1881754'
_audit_update_record             
;
2019-01-09 deposited with the CCDC.
2019-01-24 downloaded from the CCDC.
;
_audit_creation_date             2019-01-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H21 N P Yb, C15 H15 Yb'
_chemical_formula_sum            'C39 H36 N P Yb2'
_chemical_formula_weight         895.74
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_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                   38.220(6)
_cell_length_b                   8.3463(14)
_cell_length_c                   22.987(4)
_cell_angle_alpha                90
_cell_angle_beta                 115.923(3)
_cell_angle_gamma                90
_cell_volume                     6594.8(19)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    4675
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.326
_cell_measurement_theta_min      2.370
_shelx_estimated_absorpt_T_max   0.726
_shelx_estimated_absorpt_T_min   0.481
_exptl_absorpt_coefficient_mu    5.714
_exptl_absorpt_correction_T_max  0.8729
_exptl_absorpt_correction_T_min  0.5610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             3456
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0626
_diffrn_reflns_av_unetI/netI     0.0762
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            15566
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.024
_diffrn_reflns_theta_max         25.024
_diffrn_reflns_theta_min         2.511
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4305
_reflns_number_total             5785
_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       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.639
_refine_diff_density_min         -1.556
_refine_diff_density_rms         0.192
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5785
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0805
_refine_ls_R_factor_gt           0.0562
_refine_ls_restrained_S_all      1.041
_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)+(0.0794P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1327
_refine_ls_wR_factor_ref         0.1445
_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. Rigid body (RIGU) restrains
 C35, C36, C37, C38, C39, C34, C33, C32, C31, C30
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Ternary CH refined with riding coordinates:
 C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23),
 C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31),
  C32(H32), C33(H33), C35(H35), C38(H38), C39(H39)
3.b Me refined with riding coordinates:
 C7(H7A,H7B,H7C)
3.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C34(H34), C36(H36), C37(H37)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
P1 P 0.11924(9) 0.7035(3) 0.39108(17) 0.0542(8) Uani 1 1 d . . . . .
N1 N 0.1703(2) 0.8443(9) 0.3599(4) 0.039(2) Uani 1 1 d . . . . .
Yb1 Yb 0.17108(2) 0.94498(5) 0.26696(2) 0.03849(16) Uani 1 1 d . . . . .
Yb2 Yb 0.06781(2) 0.64342(5) 0.45711(2) 0.04238(17) Uani 1 1 d . . . . .
C1 C 0.1665(3) 0.6211(13) 0.4192(5) 0.047(3) Uani 1 1 d . . . . .
C2 C 0.1845(4) 0.4885(15) 0.4578(7) 0.073(4) Uani 1 1 d . . . . .
H2 H 0.170683 0.424500 0.473575 0.087 Uiso 1 1 calc R . . . .
C3 C 0.2230(4) 0.4513(14) 0.4729(7) 0.063(4) Uani 1 1 d . . . . .
H3 H 0.234327 0.364025 0.499724 0.076 Uiso 1 1 calc R . . . .
C4 C 0.2450(3) 0.5366(12) 0.4503(6) 0.055(3) Uani 1 1 d . . . . .
C5 C 0.2280(3) 0.6703(13) 0.4122(5) 0.045(3) Uani 1 1 d . . . . .
H5 H 0.242360 0.731966 0.396592 0.054 Uiso 1 1 calc R . . . .
C6 C 0.1899(3) 0.7123(12) 0.3973(5) 0.040(2) Uani 1 1 d . . . . .
C7 C 0.2859(3) 0.4875(16) 0.4669(7) 0.073(4) Uani 1 1 d . . . . .
H7A H 0.296965 0.560253 0.447103 0.109 Uiso 1 1 calc R . . . .
H7B H 0.301024 0.489904 0.512996 0.109 Uiso 1 1 calc R . . . .
H7C H 0.286031 0.380977 0.451263 0.109 Uiso 1 1 calc R . . . .
C8 C 0.1331(3) 0.8559(11) 0.3534(5) 0.042(2) Uani 1 1 d . . . . .
C9 C 0.1100(3) 0.9888(12) 0.3117(5) 0.042(2) Uani 1 1 d . . . . .
C10 C 0.0717(3) 0.9717(15) 0.2641(6) 0.059(3) Uani 1 1 d . . . . .
H10 H 0.059171 0.873466 0.258700 0.071 Uiso 1 1 calc R . . . .
C11 C 0.0523(3) 1.1003(18) 0.2248(6) 0.068(4) Uani 1 1 d . . . . .
H11 H 0.026334 1.089694 0.195332 0.081 Uiso 1 1 calc R . . . .
C12 C 0.0709(4) 1.2406(17) 0.2293(7) 0.074(4) Uani 1 1 d . . . . .
H12 H 0.058168 1.323644 0.200985 0.089 Uiso 1 1 calc R . . . .
C13 C 0.1083(4) 1.2615(15) 0.2748(7) 0.074(4) Uani 1 1 d . . . . .
H13 H 0.120609 1.359399 0.277948 0.088 Uiso 1 1 calc R . . . .
C14 C 0.1281(3) 1.1370(12) 0.3168(6) 0.050(3) Uani 1 1 d . . . . .
H14 H 0.153493 1.152685 0.348197 0.060 Uiso 1 1 calc R . . . .
C15 C 0.0794(5) 0.3587(14) 0.4106(9) 0.078(4) Uani 1 1 d . . . . .
H15 H 0.093882 0.358748 0.386878 0.094 Uiso 1 1 calc R . . . .
C16 C 0.0939(4) 0.3393(15) 0.4768(8) 0.072(4) Uani 1 1 d . . . . .
H16 H 0.119936 0.324291 0.505345 0.086 Uiso 1 1 calc R . . . .
C17 C 0.0639(4) 0.3459(14) 0.4934(7) 0.071(4) Uani 1 1 d . . . . .
H17 H 0.065682 0.315316 0.535706 0.085 Uiso 1 1 calc R . . . .
C18 C 0.0288(4) 0.3721(16) 0.4376(8) 0.078(4) Uani 1 1 d . . . . .
H18 H 0.002498 0.359050 0.434070 0.093 Uiso 1 1 calc R . . . .
C19 C 0.0392(6) 0.3783(16) 0.3857(8) 0.089(5) Uani 1 1 d . . . . .
H19 H 0.020938 0.376578 0.339676 0.107 Uiso 1 1 calc R . . . .
C20 C 0.1150(3) 0.8149(16) 0.1682(6) 0.062(3) Uani 1 1 d . . . . .
H20 H 0.089007 0.860868 0.144205 0.075 Uiso 1 1 calc R . . . .
C21 C 0.1251(4) 0.7032(15) 0.2168(7) 0.068(4) Uani 1 1 d . . . . .
H21 H 0.107577 0.656181 0.232979 0.081 Uiso 1 1 calc R . . . .
C22 C 0.1625(5) 0.6499(13) 0.2310(7) 0.078(5) Uani 1 1 d . . . . .
H22 H 0.175578 0.558008 0.258387 0.094 Uiso 1 1 calc R . . . .
C23 C 0.1749(3) 0.7319(17) 0.1900(7) 0.063(4) Uani 1 1 d . . . . .
H23 H 0.197932 0.706133 0.183372 0.076 Uiso 1 1 calc R . . . .
C24 C 0.1455(4) 0.8344(16) 0.1528(6) 0.068(4) Uani 1 1 d . . . . .
H24 H 0.144355 0.894100 0.115345 0.082 Uiso 1 1 calc R . . . .
C25 C 0.2111(5) 1.2103(17) 0.3086(10) 0.085(5) Uani 1 1 d . . . . .
H25 H 0.204313 1.297689 0.330246 0.102 Uiso 1 1 calc R . . . .
C26 C 0.2009(4) 1.2033(18) 0.2440(9) 0.077(4) Uani 1 1 d . . . . .
H26 H 0.186184 1.286053 0.212480 0.092 Uiso 1 1 calc R . . . .
C27 C 0.2196(6) 1.080(3) 0.2324(10) 0.108(7) Uani 1 1 d . . . . .
H27 H 0.222078 1.060060 0.192381 0.129 Uiso 1 1 calc R . . . .
C28 C 0.2413(5) 1.0050(17) 0.2931(13) 0.096(6) Uani 1 1 d . . . . .
H28 H 0.261386 0.923598 0.301417 0.115 Uiso 1 1 calc R . . . .
C29 C 0.2363(4) 1.088(2) 0.3396(8) 0.082(5) Uani 1 1 d . . . . .
H29 H 0.251384 1.075152 0.386482 0.099 Uiso 1 1 calc R . . . .
C30 C 0.0033(5) 0.814(2) 0.4310(9) 0.096(5) Uani 1 1 d . U . . .
H30 H -0.010488 0.819841 0.458315 0.115 Uiso 1 1 calc R . . . .
C31 C -0.0058(4) 0.706(2) 0.3776(9) 0.097(5) Uani 1 1 d . U . . .
H31 H -0.027458 0.629675 0.359581 0.116 Uiso 1 1 calc R . . . .
C32 C 0.0179(4) 0.770(2) 0.3460(8) 0.084(4) Uani 1 1 d . U . . .
H32 H 0.015199 0.740577 0.302967 0.100 Uiso 1 1 calc R . . . .
C33 C 0.0374(4) 0.892(2) 0.3802(9) 0.083(4) Uani 1 1 d . U . . .
H33 H 0.052465 0.964671 0.366587 0.099 Uiso 1 1 calc R . . . .
C34 C 0.0271(5) 0.925(2) 0.4271(10) 0.098(5) Uani 1 1 d . U . . .
H34 H 0.035506 1.014115 0.453812 0.118 Uiso 1 1 calc R . . . .
C35 C 0.1142(5) 0.8542(19) 0.5381(8) 0.099(5) Uani 1 1 d . U . . .
H35 H 0.119872 0.962179 0.527732 0.118 Uiso 1 1 calc R . . . .
C36 C 0.1383(5) 0.719(2) 0.5511(7) 0.088(4) Uani 1 1 d . U . . .
H36 H 0.159208 0.705174 0.541177 0.105 Uiso 1 1 calc R . . . .
C37 C 0.1245(5) 0.610(2) 0.5814(8) 0.098(5) Uani 1 1 d . U . . .
H37 H 0.135988 0.511234 0.596722 0.118 Uiso 1 1 calc R . . . .
C38 C 0.0949(7) 0.659(3) 0.5862(9) 0.112(5) Uani 1 1 d . U . . .
H38 H 0.083041 0.605840 0.611225 0.134 Uiso 1 1 calc R . . . .
C39 C 0.0870(6) 0.812(2) 0.5631(9) 0.106(5) Uani 1 1 d . U . . .
H39 H 0.069865 0.887164 0.571013 0.127 Uiso 1 1 calc R . . . .


_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
P1 Yb2 3.005(3) . ?
P1 C1 1.770(11) . ?
P1 C8 1.747(10) . ?
N1 Yb1 2.308(8) . ?
N1 C6 1.397(12) . ?
N1 C8 1.366(13) . ?
Yb1 C14 2.867(11) . ?
Yb1 C20 2.583(11) . ?
Yb1 C21 2.592(12) . ?
Yb1 C22 2.573(11) . ?
Yb1 C23 2.558(12) . ?
Yb1 C24 2.539(13) . ?
Yb1 C25 2.623(13) . ?
Yb1 C26 2.598(13) . ?
Yb1 C27 2.574(14) . ?
Yb1 C28 2.530(15) . ?
Yb1 C29 2.604(13) . ?
Yb2 C16 2.692(13) . ?
Yb2 C17 2.644(11) . ?
Yb2 C18 2.639(13) . ?
Yb2 C19 2.687(13) . ?
Yb2 C30 2.679(14) . ?
Yb2 C31 2.651(14) . ?
Yb2 C32 2.650(13) . ?
Yb2 C33 2.640(16) . ?
Yb2 C35 2.612(13) . ?
Yb2 C36 2.688(14) . ?
Yb2 C38 2.686(18) . ?
Yb2 C39 2.624(16) . ?
C1 C2 1.398(15) . ?
C1 C6 1.423(14) . ?
C2 H2 0.9300 . ?
C2 C3 1.389(17) . ?
C3 H3 0.9300 . ?
C3 C4 1.366(16) . ?
C4 C5 1.391(15) . ?
C4 C7 1.497(16) . ?
C5 H5 0.9300 . ?
C5 C6 1.389(14) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.478(14) . ?
C9 C10 1.399(15) . ?
C9 C14 1.399(15) . ?
C10 H10 0.9300 . ?
C10 C11 1.390(16) . ?
C11 H11 0.9300 . ?
C11 C12 1.351(19) . ?
C12 H12 0.9300 . ?
C12 C13 1.363(19) . ?
C13 H13 0.9300 . ?
C13 C14 1.395(16) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.38(2) . ?
C15 C19 1.39(2) . ?
C16 H16 0.9300 . ?
C16 C17 1.357(19) . ?
C17 H17 0.9800 . ?
C17 C18 1.410(19) . ?
C18 H18 0.9800 . ?
C18 C19 1.41(2) . ?
C19 H19 0.9800 . ?
C20 H20 0.9800 . ?
C20 C21 1.374(18) . ?
C20 C24 1.366(18) . ?
C21 H21 0.9800 . ?
C21 C22 1.39(2) . ?
C22 H22 0.9800 . ?
C22 C23 1.40(2) . ?
C23 H23 0.9800 . ?
C23 C24 1.373(17) . ?
C24 H24 0.9800 . ?
C25 H25 0.9800 . ?
C25 C26 1.36(2) . ?
C25 C29 1.37(2) . ?
C26 H26 0.9800 . ?
C26 C27 1.35(2) . ?
C27 H27 0.9800 . ?
C27 C28 1.42(3) . ?
C28 H28 0.9800 . ?
C28 C29 1.35(2) . ?
C29 H29 0.9800 . ?
C30 H30 0.9800 . ?
C30 C31 1.44(2) . ?
C30 C34 1.33(2) . ?
C31 H31 0.9800 . ?
C31 C32 1.49(2) . ?
C32 H32 0.9800 . ?
C32 C33 1.30(2) . ?
C33 H33 0.9800 . ?
C33 C34 1.33(2) . ?
C34 H34 0.9300 . ?
C35 H35 0.9800 . ?
C35 C36 1.40(2) . ?
C35 C39 1.43(2) . ?
C36 H36 0.9300 . ?
C36 C37 1.38(2) . ?
C37 H37 0.9300 . ?
C37 C38 1.25(2) . ?
C38 H38 0.9800 . ?
C38 C39 1.37(3) . ?
C39 H39 0.9800 . ?

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
C1 P1 Yb2 122.7(4) . . ?
C8 P1 Yb2 141.2(4) . . ?
C8 P1 C1 89.0(5) . . ?
C6 N1 Yb1 129.5(7) . . ?
C8 N1 Yb1 107.9(6) . . ?
C8 N1 C6 112.1(8) . . ?
N1 Yb1 C14 65.9(3) . . ?
N1 Yb1 C20 108.6(4) . . ?
N1 Yb1 C21 81.2(4) . . ?
N1 Yb1 C22 84.1(4) . . ?
N1 Yb1 C23 114.5(4) . . ?
N1 Yb1 C24 132.0(4) . . ?
N1 Yb1 C25 102.2(5) . . ?
N1 Yb1 C26 132.4(5) . . ?
N1 Yb1 C27 138.4(6) . . ?
N1 Yb1 C28 107.1(6) . . ?
N1 Yb1 C29 88.2(4) . . ?
C20 Yb1 C14 100.8(4) . . ?
C20 Yb1 C21 30.8(4) . . ?
C20 Yb1 C25 143.4(6) . . ?
C20 Yb1 C26 116.0(5) . . ?
C20 Yb1 C29 161.7(5) . . ?
C21 Yb1 C14 102.6(4) . . ?
C21 Yb1 C25 173.4(6) . . ?
C21 Yb1 C26 145.9(5) . . ?
C21 Yb1 C29 156.1(5) . . ?
C22 Yb1 C14 130.4(5) . . ?
C22 Yb1 C20 51.3(4) . . ?
C22 Yb1 C21 31.2(5) . . ?
C22 Yb1 C25 153.8(5) . . ?
C22 Yb1 C26 137.3(6) . . ?
C22 Yb1 C27 109.1(6) . . ?
C22 Yb1 C29 126.6(6) . . ?
C23 Yb1 C14 151.8(3) . . ?
C23 Yb1 C20 51.4(4) . . ?
C23 Yb1 C21 51.9(4) . . ?
C23 Yb1 C22 31.8(5) . . ?
C23 Yb1 C25 129.7(5) . . ?
C23 Yb1 C26 105.9(6) . . ?
C23 Yb1 C27 79.9(5) . . ?
C23 Yb1 C29 115.7(5) . . ?
C24 Yb1 C14 125.9(4) . . ?
C24 Yb1 C20 30.9(4) . . ?
C24 Yb1 C21 51.5(5) . . ?
C24 Yb1 C22 51.9(4) . . ?
C24 Yb1 C23 31.3(4) . . ?
C24 Yb1 C25 125.7(6) . . ?
C24 Yb1 C26 95.6(6) . . ?
C24 Yb1 C27 81.1(5) . . ?
C24 Yb1 C29 131.1(5) . . ?
C25 Yb1 C14 74.1(4) . . ?
C26 Yb1 C14 89.7(5) . . ?
C26 Yb1 C25 30.2(5) . . ?
C26 Yb1 C29 50.9(5) . . ?
C27 Yb1 C14 119.6(5) . . ?
C27 Yb1 C20 110.2(5) . . ?
C27 Yb1 C21 130.0(5) . . ?
C27 Yb1 C25 50.1(5) . . ?
C27 Yb1 C26 30.2(5) . . ?
C27 Yb1 C29 51.8(5) . . ?
C28 Yb1 C14 121.8(5) . . ?
C28 Yb1 C20 132.7(7) . . ?
C28 Yb1 C21 134.6(5) . . ?
C28 Yb1 C22 103.8(5) . . ?
C28 Yb1 C23 85.8(6) . . ?
C28 Yb1 C24 101.9(7) . . ?
C28 Yb1 C25 50.0(5) . . ?
C28 Yb1 C26 51.0(5) . . ?
C28 Yb1 C27 32.3(6) . . ?
C28 Yb1 C29 30.6(5) . . ?
C29 Yb1 C14 92.4(5) . . ?
C29 Yb1 C25 30.4(5) . . ?
C17 Yb2 C16 29.4(4) . . ?
C17 Yb2 C19 49.8(5) . . ?
C17 Yb2 C30 113.3(5) . . ?
C17 Yb2 C31 102.3(5) . . ?
C17 Yb2 C32 124.2(5) . . ?
C17 Yb2 C36 98.1(5) . . ?
C17 Yb2 C38 75.2(6) . . ?
C18 Yb2 C16 50.2(4) . . ?
C18 Yb2 C17 31.0(4) . . ?
C18 Yb2 C19 30.8(5) . . ?
C18 Yb2 C30 91.2(5) . . ?
C18 Yb2 C31 72.6(5) . . ?
C18 Yb2 C32 93.6(5) . . ?
C18 Yb2 C33 120.6(5) . . ?
C18 Yb2 C36 129.1(5) . . ?
C18 Yb2 C38 98.4(6) . . ?
C19 Yb2 C16 49.3(5) . . ?
C19 Yb2 C36 132.9(6) . . ?
C30 Yb2 C16 140.9(5) . . ?
C30 Yb2 C19 102.2(6) . . ?
C30 Yb2 C36 123.8(6) . . ?
C30 Yb2 C38 95.4(7) . . ?
C31 Yb2 C16 120.3(5) . . ?
C31 Yb2 C19 73.4(6) . . ?
C31 Yb2 C30 31.3(5) . . ?
C31 Yb2 C36 153.6(6) . . ?
C31 Yb2 C38 122.2(7) . . ?
C32 Yb2 C16 126.6(5) . . ?
C32 Yb2 C19 79.1(5) . . ?
C32 Yb2 C30 50.8(5) . . ?
C32 Yb2 C31 32.6(5) . . ?
C32 Yb2 C36 136.7(5) . . ?
C32 Yb2 C38 144.4(6) . . ?
C33 Yb2 C16 151.0(5) . . ?
C33 Yb2 C17 151.5(5) . . ?
C33 Yb2 C19 107.1(6) . . ?
C33 Yb2 C30 48.7(5) . . ?
C33 Yb2 C31 50.2(5) . . ?
C33 Yb2 C32 28.5(5) . . ?
C33 Yb2 C36 110.3(5) . . ?
C33 Yb2 C38 123.1(6) . . ?
C35 Yb2 C16 115.4(5) . . ?
C35 Yb2 C17 121.5(5) . . ?
C35 Yb2 C18 148.9(6) . . ?
C35 Yb2 C19 163.4(6) . . ?
C35 Yb2 C30 94.3(6) . . ?
C35 Yb2 C31 123.0(6) . . ?
C35 Yb2 C32 113.4(5) . . ?
C35 Yb2 C33 85.0(6) . . ?
C35 Yb2 C36 30.6(5) . . ?
C35 Yb2 C38 50.6(6) . . ?
C35 Yb2 C39 31.8(5) . . ?
C36 Yb2 C16 85.3(5) . . ?
C38 Yb2 C16 85.7(6) . . ?
C38 Yb2 C19 124.9(6) . . ?
C38 Yb2 C36 48.2(6) . . ?
C39 Yb2 C16 114.6(6) . . ?
C39 Yb2 C17 104.0(6) . . ?
C39 Yb2 C18 121.7(6) . . ?
C39 Yb2 C19 152.0(6) . . ?
C39 Yb2 C30 77.3(6) . . ?
C39 Yb2 C31 108.5(6) . . ?
C39 Yb2 C32 118.2(6) . . ?
C39 Yb2 C33 93.6(6) . . ?
C39 Yb2 C36 49.7(6) . . ?
C39 Yb2 C38 29.8(6) . . ?
C2 C1 P1 132.9(9) . . ?
C2 C1 C6 115.9(10) . . ?
C6 C1 P1 111.2(7) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.6(12) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 118.4 . . ?
C4 C3 C2 123.2(11) . . ?
C4 C3 H3 118.4 . . ?
C3 C4 C5 117.6(11) . . ?
C3 C4 C7 120.6(11) . . ?
C5 C4 C7 121.8(11) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.5(10) . . ?
C6 C5 H5 119.8 . . ?
N1 C6 C1 112.8(9) . . ?
C5 C6 N1 125.1(10) . . ?
C5 C6 C1 122.1(9) . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P1 C8 Yb1 147.4(5) . . ?
N1 C8 P1 114.9(7) . . ?
N1 C8 Yb1 46.6(5) . . ?
N1 C8 C9 114.9(9) . . ?
C9 C8 P1 130.0(8) . . ?
C9 C8 Yb1 73.3(6) . . ?
C8 C9 Yb1 78.1(6) . . ?
C10 C9 Yb1 115.4(8) . . ?
C10 C9 C8 123.6(9) . . ?
C14 C9 Yb1 72.5(6) . . ?
C14 C9 C8 118.4(9) . . ?
C14 C9 C10 117.8(10) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.5(12) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.4(12) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.6(12) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.4(12) . . ?
C14 C13 H13 119.8 . . ?
Yb1 C14 H14 78.7 . . ?
C9 C14 Yb1 79.7(6) . . ?
C9 C14 H14 120.0 . . ?
C13 C14 Yb1 111.9(9) . . ?
C13 C14 C9 120.1(11) . . ?
C13 C14 H14 120.0 . . ?
Yb2 C15 H15 118.1 . . ?
C16 C15 Yb2 74.0(8) . . ?
C16 C15 H15 126.1 . . ?
C16 C15 C19 107.7(15) . . ?
C19 C15 Yb2 73.7(8) . . ?
C19 C15 H15 126.1 . . ?
Yb2 C16 H16 116.7 . . ?
C15 C16 Yb2 76.3(8) . . ?
C15 C16 H16 125.6 . . ?
C17 C16 Yb2 73.3(8) . . ?
C17 C16 C15 108.8(14) . . ?
C17 C16 H16 125.6 . . ?
Yb2 C17 H17 124.6 . . ?
C16 C17 Yb2 77.2(7) . . ?
C16 C17 H17 124.6 . . ?
C16 C17 C18 109.6(14) . . ?
C18 C17 Yb2 74.3(7) . . ?
C18 C17 H17 124.6 . . ?
Yb2 C18 H18 126.3 . . ?
C17 C18 Yb2 74.7(7) . . ?
C17 C18 H18 126.3 . . ?
C17 C18 C19 105.5(14) . . ?
C19 C18 Yb2 76.5(8) . . ?
C19 C18 H18 126.3 . . ?
Yb2 C19 H19 125.4 . . ?
C15 C19 Yb2 76.4(8) . . ?
C15 C19 C18 108.4(15) . . ?
C15 C19 H19 125.4 . . ?
C18 C19 Yb2 72.8(8) . . ?
C18 C19 H19 125.4 . . ?
Yb1 C20 H20 125.3 . . ?
C21 C20 Yb1 75.0(7) . . ?
C21 C20 H20 125.3 . . ?
C24 C20 Yb1 72.8(7) . . ?
C24 C20 H20 125.3 . . ?
C24 C20 C21 108.8(12) . . ?
Yb1 C21 H21 125.8 . . ?
C20 C21 Yb1 74.2(7) . . ?
C20 C21 H21 125.8 . . ?
C20 C21 C22 107.6(13) . . ?
C22 C21 Yb1 73.6(7) . . ?
C22 C21 H21 125.8 . . ?
Yb1 C22 H22 125.8 . . ?
C21 C22 Yb1 75.1(7) . . ?
C21 C22 H22 125.8 . . ?
C21 C22 C23 107.5(11) . . ?
C23 C22 Yb1 73.5(7) . . ?
C23 C22 H22 125.8 . . ?
Yb1 C23 H23 125.9 . . ?
C22 C23 Yb1 74.7(7) . . ?
C22 C23 H23 125.9 . . ?
C24 C23 Yb1 73.6(7) . . ?
C24 C23 C22 107.2(12) . . ?
C24 C23 H23 125.9 . . ?
Yb1 C24 H24 124.9 . . ?
C20 C24 Yb1 76.3(8) . . ?
C20 C24 C23 108.9(14) . . ?
C20 C24 H24 124.9 . . ?
C23 C24 Yb1 75.1(8) . . ?
C23 C24 H24 124.9 . . ?
Yb1 C25 H25 124.9 . . ?
C26 C25 Yb1 73.9(8) . . ?
C26 C25 H25 124.9 . . ?
C26 C25 C29 109.7(15) . . ?
C29 C25 Yb1 74.1(8) . . ?
C29 C25 H25 124.9 . . ?
Yb1 C26 H26 125.1 . . ?
C25 C26 Yb1 75.9(8) . . ?
C25 C26 H26 125.1 . . ?
C27 C26 Yb1 73.9(9) . . ?
C27 C26 C25 108.9(16) . . ?
C27 C26 H26 125.1 . . ?
Yb1 C27 H27 126.4 . . ?
C26 C27 Yb1 75.9(8) . . ?
C26 C27 H27 126.4 . . ?
C26 C27 C28 106.0(14) . . ?
C28 C27 Yb1 72.2(9) . . ?
C28 C27 H27 126.4 . . ?
Yb1 C28 H28 124.7 . . ?
C27 C28 Yb1 75.6(9) . . ?
C27 C28 H28 124.7 . . ?
C29 C28 Yb1 77.7(9) . . ?
C29 C28 C27 109.1(14) . . ?
C29 C28 H28 124.7 . . ?
Yb1 C29 H29 126.5 . . ?
C25 C29 Yb1 75.5(8) . . ?
C25 C29 H29 126.5 . . ?
C28 C29 Yb1 71.7(9) . . ?
C28 C29 C25 106.2(16) . . ?
C28 C29 H29 126.5 . . ?
Yb2 C30 H30 125.6 . . ?
C31 C30 Yb2 73.3(8) . . ?
C31 C30 H30 125.6 . . ?
C34 C30 Yb2 78.1(9) . . ?
C34 C30 H30 125.6 . . ?
C34 C30 C31 107.1(16) . . ?
Yb2 C31 H31 127.6 . . ?
C30 C31 Yb2 75.4(9) . . ?
C30 C31 H31 127.6 . . ?
C30 C31 C32 102.7(14) . . ?
C32 C31 Yb2 73.7(7) . . ?
C32 C31 H31 127.6 . . ?
Yb2 C32 H32 125.8 . . ?
C31 C32 Yb2 73.8(8) . . ?
C31 C32 H32 125.8 . . ?
C33 C32 Yb2 75.3(9) . . ?
C33 C32 C31 107.3(16) . . ?
C33 C32 H32 125.8 . . ?
Yb2 C33 H33 123.6 . . ?
C32 C33 Yb2 76.2(9) . . ?
C32 C33 H33 123.6 . . ?
C32 C33 C34 111.0(16) . . ?
C34 C33 Yb2 79.6(10) . . ?
C34 C33 H33 123.6 . . ?
Yb2 C34 H34 121.9 . . ?
C30 C34 Yb2 73.5(9) . . ?
C30 C34 H34 124.3 . . ?
C33 C34 Yb2 71.8(9) . . ?
C33 C34 C30 111.4(18) . . ?
C33 C34 H34 124.3 . . ?
Yb2 C35 H35 126.8 . . ?
C36 C35 Yb2 77.7(8) . . ?
C36 C35 H35 126.8 . . ?
C36 C35 C39 103.9(17) . . ?
C39 C35 Yb2 74.6(9) . . ?
C39 C35 H35 126.8 . . ?
Yb2 C36 H36 116.2 . . ?
C35 C36 Yb2 71.7(8) . . ?
C35 C36 H36 127.0 . . ?
C37 C36 Yb2 77.5(9) . . ?
C37 C36 C35 106.1(18) . . ?
C37 C36 H36 127.0 . . ?
Yb2 C37 H37 120.7 . . ?
C36 C37 Yb2 73.1(9) . . ?
C36 C37 H37 123.5 . . ?
C38 C37 Yb2 74.1(12) . . ?
C38 C37 C36 113(2) . . ?
C38 C37 H37 123.5 . . ?
Yb2 C38 H38 124.9 . . ?
C37 C38 Yb2 79.2(12) . . ?
C37 C38 H38 124.9 . . ?
C37 C38 C39 109(2) . . ?
C39 C38 Yb2 72.6(11) . . ?
C39 C38 H38 124.9 . . ?
Yb2 C39 H39 125.3 . . ?
C35 C39 Yb2 73.6(9) . . ?
C35 C39 H39 125.3 . . ?
C38 C39 Yb2 77.6(11) . . ?
C38 C39 C35 108(2) . . ?
C38 C39 H39 125.3 . . ?

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
P1 C1 C2 C3 -179.6(11) . . . . ?
P1 C1 C6 N1 0.6(11) . . . . ?
P1 C1 C6 C5 -179.1(9) . . . . ?
P1 C8 C9 Yb1 -153.7(9) . . . . ?
P1 C8 C9 C10 -40.9(17) . . . . ?
P1 C8 C9 C14 143.9(10) . . . . ?
N1 C8 C9 Yb1 21.5(8) . . . . ?
N1 C8 C9 C10 134.2(11) . . . . ?
N1 C8 C9 C14 -41.0(14) . . . . ?
Yb1 N1 C6 C1 -139.4(8) . . . . ?
Yb1 N1 C6 C5 40.3(14) . . . . ?
Yb1 N1 C8 P1 147.1(5) . . . . ?
Yb1 N1 C8 C9 -28.8(10) . . . . ?
Yb1 C8 C9 C10 112.8(11) . . . . ?
Yb1 C8 C9 C14 -62.5(9) . . . . ?
Yb1 C9 C10 C11 -84.8(13) . . . . ?
Yb1 C9 C14 C13 109.5(12) . . . . ?
Yb1 C20 C21 C22 -66.6(9) . . . . ?
Yb1 C20 C24 C23 68.7(9) . . . . ?
Yb1 C21 C22 C23 -67.0(8) . . . . ?
Yb1 C22 C23 C24 -67.0(9) . . . . ?
Yb1 C23 C24 C20 -69.5(9) . . . . ?
Yb1 C25 C26 C27 -67.2(10) . . . . ?
Yb1 C25 C29 C28 65.6(10) . . . . ?
Yb1 C26 C27 C28 -66.4(10) . . . . ?
Yb1 C27 C28 C29 -71.3(11) . . . . ?
Yb1 C28 C29 C25 -68.3(10) . . . . ?
Yb2 P1 C1 C2 22.4(15) . . . . ?
Yb2 P1 C1 C6 -157.2(6) . . . . ?
Yb2 P1 C8 N1 148.4(6) . . . . ?
Yb2 P1 C8 Yb1 -164.4(5) . . . . ?
Yb2 P1 C8 C9 -36.4(14) . . . . ?
Yb2 C15 C16 C17 66.7(9) . . . . ?
Yb2 C15 C19 C18 -66.3(10) . . . . ?
Yb2 C16 C17 C18 68.0(9) . . . . ?
Yb2 C17 C18 C19 70.9(9) . . . . ?
Yb2 C18 C19 C15 68.8(9) . . . . ?
Yb2 C30 C31 C32 -69.1(9) . . . . ?
Yb2 C30 C34 C33 62.3(13) . . . . ?
Yb2 C31 C32 C33 -68.5(10) . . . . ?
Yb2 C32 C33 C34 -73.0(13) . . . . ?
Yb2 C33 C34 C30 -63.3(13) . . . . ?
Yb2 C35 C36 C37 -70.5(11) . . . . ?
Yb2 C35 C39 C38 70.7(12) . . . . ?
Yb2 C36 C37 C38 -64.0(15) . . . . ?
Yb2 C37 C38 C39 -67.3(13) . . . . ?
Yb2 C38 C39 C35 -68.0(11) . . . . ?
C1 P1 C8 N1 1.4(9) . . . . ?
C1 P1 C8 Yb1 48.6(10) . . . . ?
C1 P1 C8 C9 176.6(11) . . . . ?
C1 C2 C3 C4 -2(2) . . . . ?
C2 C1 C6 N1 -179.0(11) . . . . ?
C2 C1 C6 C5 1.3(17) . . . . ?
C2 C3 C4 C5 2(2) . . . . ?
C2 C3 C4 C7 -178.3(14) . . . . ?
C3 C4 C5 C6 -1.0(17) . . . . ?
C4 C5 C6 N1 179.6(10) . . . . ?
C4 C5 C6 C1 -0.8(17) . . . . ?
C6 N1 C8 P1 -1.3(11) . . . . ?
C6 N1 C8 Yb1 -148.4(10) . . . . ?
C6 N1 C8 C9 -177.2(9) . . . . ?
C6 C1 C2 C3 0(2) . . . . ?
C7 C4 C5 C6 179.6(11) . . . . ?
C8 P1 C1 C2 178.4(14) . . . . ?
C8 P1 C1 C6 -1.1(8) . . . . ?
C8 N1 C6 C1 0.4(12) . . . . ?
C8 N1 C6 C5 -179.9(10) . . . . ?
C8 C9 C10 C11 -177.2(12) . . . . ?
C8 C9 C14 Yb1 65.4(9) . . . . ?
C8 C9 C14 C13 174.9(11) . . . . ?
C9 C10 C11 C12 4(2) . . . . ?
C10 C9 C14 Yb1 -110.1(10) . . . . ?
C10 C9 C14 C13 -0.6(18) . . . . ?
C10 C11 C12 C13 -4(2) . . . . ?
C11 C12 C13 C14 1(2) . . . . ?
C12 C13 C14 Yb1 91.6(14) . . . . ?
C12 C13 C14 C9 1(2) . . . . ?
C14 C9 C10 C11 -2.0(18) . . . . ?
C15 C16 C17 Yb2 -68.7(9) . . . . ?
C15 C16 C17 C18 -0.8(15) . . . . ?
C16 C15 C19 Yb2 66.8(9) . . . . ?
C16 C15 C19 C18 0.5(15) . . . . ?
C16 C17 C18 Yb2 -69.9(9) . . . . ?
C16 C17 C18 C19 1.0(15) . . . . ?
C17 C18 C19 Yb2 -69.7(9) . . . . ?
C17 C18 C19 C15 -0.9(15) . . . . ?
C19 C15 C16 Yb2 -66.6(9) . . . . ?
C19 C15 C16 C17 0.2(15) . . . . ?
C20 C21 C22 Yb1 67.0(9) . . . . ?
C20 C21 C22 C23 0.0(14) . . . . ?
C21 C20 C24 Yb1 -66.9(9) . . . . ?
C21 C20 C24 C23 1.8(15) . . . . ?
C21 C22 C23 Yb1 68.1(9) . . . . ?
C21 C22 C23 C24 1.0(14) . . . . ?
C22 C23 C24 Yb1 67.8(8) . . . . ?
C22 C23 C24 C20 -1.7(14) . . . . ?
C24 C20 C21 Yb1 65.5(9) . . . . ?
C24 C20 C21 C22 -1.1(15) . . . . ?
C25 C26 C27 Yb1 68.5(10) . . . . ?
C25 C26 C27 C28 2.1(17) . . . . ?
C26 C25 C29 Yb1 -65.8(10) . . . . ?
C26 C25 C29 C28 -0.2(16) . . . . ?
C26 C27 C28 Yb1 69.0(11) . . . . ?
C26 C27 C28 C29 -2.3(18) . . . . ?
C27 C28 C29 Yb1 69.8(11) . . . . ?
C27 C28 C29 C25 1.5(17) . . . . ?
C29 C25 C26 Yb1 65.9(10) . . . . ?
C29 C25 C26 C27 -1.3(17) . . . . ?
C30 C31 C32 Yb2 70.4(10) . . . . ?
C30 C31 C32 C33 1.9(16) . . . . ?
C31 C30 C34 Yb2 -68.1(10) . . . . ?
C31 C30 C34 C33 -5.8(19) . . . . ?
C31 C32 C33 Yb2 67.4(9) . . . . ?
C31 C32 C33 C34 -5.6(18) . . . . ?
C32 C33 C34 Yb2 70.8(12) . . . . ?
C32 C33 C34 C30 7(2) . . . . ?
C34 C30 C31 Yb2 71.4(11) . . . . ?
C34 C30 C31 C32 2.3(16) . . . . ?
C35 C36 C37 Yb2 66.5(10) . . . . ?
C35 C36 C37 C38 3(2) . . . . ?
C36 C35 C39 Yb2 -72.8(10) . . . . ?
C36 C35 C39 C38 -2.1(18) . . . . ?
C36 C37 C38 Yb2 63.3(13) . . . . ?
C36 C37 C38 C39 -4(2) . . . . ?
C37 C38 C39 Yb2 71.7(15) . . . . ?
C37 C38 C39 C35 4(2) . . . . ?
C39 C35 C36 Yb2 70.5(10) . . . . ?
C39 C35 C36 C37 -0.1(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_5c
_database_code_depnum_ccdc_archive 'CCDC 1881758'
_audit_update_record             
;
2019-01-17 deposited with the CCDC.
2019-01-24 downloaded from the CCDC.
;
_audit_creation_date             2019-01-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C41 H19 B F15 N P Yb, C7 H8'
_chemical_formula_sum            'C48 H27 B F15 N P Yb'
_chemical_formula_weight         1117.52
_chemical_melting_point          ?
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'
B B 0.0013 0.0007 '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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.2386(6)
_cell_length_b                   21.6434(10)
_cell_length_c                   15.4959(7)
_cell_angle_alpha                90
_cell_angle_beta                 102.1000(10)
_cell_angle_gamma                90
_cell_volume                     4341.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9888
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      27.619
_cell_measurement_theta_min      2.453
_shelx_estimated_absorpt_T_max   0.894
_shelx_estimated_absorpt_T_min   0.787
_exptl_absorpt_coefficient_mu    2.292
_exptl_absorpt_correction_T_max  0.8917
_exptl_absorpt_correction_T_min  0.6652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2188
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25978
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.637
_diffrn_reflns_theta_min         2.461
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8159
_reflns_number_total             9750
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.872
_refine_diff_density_min         -0.690
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         9750
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0264
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0249P)²+6.3850P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0645
_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.a Aromatic/amide H refined with riding coordinates:
 C36(H36), C35(H35), C34(H34), C33(H33), C32(H32), C38(H38), C39(H39),
 C40(H40), C41(H41), C37(H37), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31),
  C4(H4), C5(H5), C6(H6), C7(H7), C42(H42), C43(H43), C44(H44), C45(H45),
 C46(H46)
2.b Idealised Me refined as rotating group:
 C48(H48A,H48B,H48C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.98594(2) 0.74572(2) 0.06175(2) 0.01553(4) Uani 1 1 d . . . . .
P1 P 0.84194(6) 0.54042(3) 0.06095(5) 0.01554(14) Uani 1 1 d . . . . .
F1 F 0.85079(12) 0.63773(7) 0.24883(11) 0.0215(4) Uani 1 1 d . . . . .
F2 F 0.98351(14) 0.44357(7) 0.14465(12) 0.0257(4) Uani 1 1 d . . . . .
F3 F 0.71599(15) 0.43484(8) 0.01187(12) 0.0311(4) Uani 1 1 d . . . . .
F4 F 0.86878(14) 0.55453(8) 0.37022(11) 0.0275(4) Uani 1 1 d . . . . .
F5 F 0.77567(15) 0.43482(9) 0.32387(12) 0.0336(4) Uani 1 1 d . . . . .
F6 F 0.63803(15) 0.32191(9) 0.00950(15) 0.0412(5) Uani 1 1 d . . . . .
F7 F 1.05742(16) 0.54792(9) 0.46940(12) 0.0371(5) Uani 1 1 d . . . . .
F8 F 0.71505(15) 0.72266(9) 0.26996(15) 0.0405(5) Uani 1 1 d . . . . .
F9 F 0.63543(17) 0.26071(8) 0.16312(18) 0.0517(7) Uani 1 1 d . . . . .
F10 F 0.57457(13) 0.49980(8) 0.13864(14) 0.0331(5) Uani 1 1 d . . . . .
F11 F 1.17054(15) 0.43618(9) 0.24657(14) 0.0395(5) Uani 1 1 d . . . . .
F12 F 1.21111(15) 0.48829(10) 0.41150(15) 0.0454(6) Uani 1 1 d . . . . .
F13 F 0.44233(14) 0.58583(10) 0.15799(16) 0.0461(6) Uani 1 1 d . . . . .
F14 F 0.50754(16) 0.69941(10) 0.22399(17) 0.0525(6) Uani 1 1 d . . . . .
F15 F 0.70559(18) 0.31920(10) 0.32005(16) 0.0567(7) Uani 1 1 d . . . . .
N1 N 0.87289(18) 0.66076(10) 0.05023(15) 0.0167(5) Uani 1 1 d . . . . .
C36 C 0.9991(3) 0.82207(13) 0.19147(19) 0.0250(7) Uani 1 1 d . . . . .
H36 H 1.053598 0.816374 0.241501 0.030 Uiso 1 1 calc R . . . .
C35 C 1.0044(3) 0.85698(13) 0.1161(2) 0.0262(7) Uani 1 1 d . . . . .
H35 H 1.063039 0.878953 0.106204 0.031 Uiso 1 1 calc R . . . .
C34 C 0.9074(3) 0.85364(14) 0.0577(2) 0.0296(7) Uani 1 1 d . . . . .
H34 H 0.889004 0.872951 0.001558 0.036 Uiso 1 1 calc R . . . .
C33 C 0.8424(3) 0.81658(15) 0.0975(2) 0.0300(7) Uani 1 1 d . . . . .
H33 H 0.772474 0.806526 0.072885 0.036 Uiso 1 1 calc R . . . .
C32 C 0.8993(3) 0.79706(14) 0.1801(2) 0.0257(7) Uani 1 1 d . . . . .
H32 H 0.874550 0.771464 0.220946 0.031 Uiso 1 1 calc R . . . .
C38 C 1.0898(4) 0.79171(17) -0.0442(3) 0.0602(15) Uani 1 1 d . . . . .
H38 H 1.109726 0.833867 -0.036649 0.072 Uiso 1 1 calc R . . . .
C39 C 1.1473(3) 0.7409(2) -0.0055(3) 0.0470(11) Uani 1 1 d . . . . .
H39 H 1.212688 0.742365 0.033983 0.056 Uiso 1 1 calc R . . . .
C40 C 1.0914(3) 0.68816(15) -0.0351(2) 0.0345(8) Uani 1 1 d . . . . .
H40 H 1.112356 0.646919 -0.019783 0.041 Uiso 1 1 calc R . . . .
C41 C 1.0002(3) 0.70555(19) -0.0904(2) 0.0403(9) Uani 1 1 d . . . . .
H41 H 0.947626 0.678450 -0.119778 0.048 Uiso 1 1 calc R . . . .
C37 C 0.9986(4) 0.7694(2) -0.0957(3) 0.0538(13) Uani 1 1 d . . . . .
H37 H 0.944392 0.793797 -0.128902 0.065 Uiso 1 1 calc R . . . .
C27 C 1.0535(2) 0.66417(13) 0.19675(17) 0.0178(6) Uani 1 1 d . . . . .
H27 H 1.002237 0.691259 0.209787 0.021 Uiso 1 1 calc R . . . .
C28 C 1.1568(2) 0.67411(14) 0.23565(19) 0.0238(6) Uani 1 1 d . . . . .
H28 H 1.175901 0.708343 0.273955 0.029 Uiso 1 1 calc R . . . .
C29 C 1.2315(2) 0.63421(15) 0.2186(2) 0.0278(7) Uani 1 1 d . . . . .
H29 H 1.302210 0.641510 0.244144 0.033 Uiso 1 1 calc R . . . .
C30 C 1.2036(2) 0.58359(14) 0.1643(2) 0.0250(6) Uani 1 1 d . . . . .
H30 H 1.254938 0.555232 0.154715 0.030 Uiso 1 1 calc R . . . .
C31 C 1.1003(2) 0.57401(13) 0.12345(19) 0.0198(6) Uani 1 1 d . . . . .
H31 H 1.081929 0.539649 0.085242 0.024 Uiso 1 1 calc R . . . .
C26 C 1.0241(2) 0.61466(12) 0.13850(17) 0.0159(5) Uani 1 1 d . . . . .
C1 C 0.9160(2) 0.60970(12) 0.08856(17) 0.0152(5) Uani 1 1 d . . . . .
C3 C 0.7731(2) 0.64901(13) -0.00101(18) 0.0184(6) Uani 1 1 d . . . . .
C4 C 0.7128(2) 0.69395(14) -0.0524(2) 0.0275(7) Uani 1 1 d . . . . .
H4 H 0.736756 0.735262 -0.053531 0.033 Uiso 1 1 calc R . . . .
C5 C 0.6170(3) 0.67662(15) -0.1017(2) 0.0327(8) Uani 1 1 d . . . . .
H5 H 0.574575 0.706426 -0.137095 0.039 Uiso 1 1 calc R . . . .
C6 C 0.5825(2) 0.61609(15) -0.0999(2) 0.0302(7) Uani 1 1 d . . . . .
H6 H 0.516185 0.605325 -0.133285 0.036 Uiso 1 1 calc R . . . .
C7 C 0.6426(2) 0.57128(14) -0.0504(2) 0.0240(6) Uani 1 1 d . . . . .
H7 H 0.618324 0.529979 -0.050416 0.029 Uiso 1 1 calc R . . . .
C2 C 0.7399(2) 0.58733(13) -0.00023(18) 0.0182(6) Uani 1 1 d . . . . .
C20 C 0.7225(2) 0.56157(12) 0.19670(17) 0.0160(5) Uani 1 1 d . . . . .
C25 C 0.6158(2) 0.55368(13) 0.1734(2) 0.0224(6) Uani 1 1 d . . . . .
C24 C 0.5437(2) 0.59809(15) 0.1816(2) 0.0298(7) Uani 1 1 d . . . . .
C23 C 0.5760(3) 0.65573(15) 0.2145(2) 0.0320(8) Uani 1 1 d . . . . .
C22 C 0.6809(2) 0.66686(14) 0.2377(2) 0.0278(7) Uani 1 1 d . . . . .
C21 C 0.7496(2) 0.62130(13) 0.22738(18) 0.0184(6) Uani 1 1 d . . . . .
C14 C 0.7559(2) 0.44009(12) 0.16804(19) 0.0188(6) Uani 1 1 d . . . . .
C15 C 0.7177(2) 0.40789(13) 0.0908(2) 0.0219(6) Uani 1 1 d . . . . .
C16 C 0.6765(2) 0.34880(14) 0.0876(2) 0.0293(7) Uani 1 1 d . . . . .
C17 C 0.6737(2) 0.31834(13) 0.1647(3) 0.0335(8) Uani 1 1 d . . . . .
C18 C 0.7089(3) 0.34794(15) 0.2436(2) 0.0347(8) Uani 1 1 d . . . . .
C19 C 0.7476(2) 0.40751(14) 0.2439(2) 0.0255(7) Uani 1 1 d . . . . .
C8 C 0.9175(2) 0.50446(12) 0.24776(18) 0.0169(6) Uani 1 1 d . . . . .
C13 C 0.9983(2) 0.47213(12) 0.22429(19) 0.0201(6) Uani 1 1 d . . . . .
C12 C 1.0963(2) 0.46671(14) 0.2765(2) 0.0270(7) Uani 1 1 d . . . . .
C11 C 1.1167(2) 0.49331(15) 0.3588(2) 0.0298(7) Uani 1 1 d . . . . .
C10 C 1.0393(3) 0.52334(14) 0.3877(2) 0.0271(7) Uani 1 1 d . . . . .
C9 C 0.9420(2) 0.52772(13) 0.33372(19) 0.0210(6) Uani 1 1 d . . . . .
B1 B 0.8052(2) 0.51009(14) 0.1787(2) 0.0161(6) Uani 1 1 d . . . . .
C42 C 0.5512(6) 0.6477(4) 0.4502(5) 0.104(2) Uani 1 1 d . . . . .
H42 H 0.568115 0.688351 0.471548 0.125 Uiso 1 1 calc R . . . .
C43 C 0.6289(5) 0.6076(4) 0.4369(4) 0.100(2) Uani 1 1 d . . . . .
H43 H 0.698909 0.620827 0.450620 0.120 Uiso 1 1 calc R . . . .
C44 C 0.6048(5) 0.5477(4) 0.4034(3) 0.094(2) Uani 1 1 d . . . . .
H44 H 0.658630 0.520975 0.394380 0.113 Uiso 1 1 calc R . . . .
C45 C 0.4498(6) 0.6284(4) 0.4323(6) 0.131(3) Uani 1 1 d . . . . .
H45 H 0.396260 0.654947 0.442110 0.158 Uiso 1 1 calc R . . . .
C46 C 0.4277(4) 0.5685(3) 0.3994(5) 0.096(2) Uani 1 1 d . . . . .
H46 H 0.358034 0.554694 0.386961 0.115 Uiso 1 1 calc R . . . .
C47 C 0.5063(5) 0.5279(3) 0.3839(4) 0.090(2) Uani 1 1 d . . . . .
C48 C 0.4794(8) 0.4613(4) 0.3462(6) 0.150(4) Uani 1 1 d . . . . .
H48A H 0.429334 0.442186 0.376397 0.226 Uiso 1 1 calc GR . . . .
H48B H 0.542428 0.436220 0.355773 0.226 Uiso 1 1 calc GR . . . .
H48C H 0.449734 0.463874 0.282800 0.226 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 N1 2.354(2) . ?
Yb1 C36 2.580(3) . ?
Yb1 C35 2.546(3) . ?
Yb1 C34 2.552(3) . ?
Yb1 C33 2.590(3) . ?
Yb1 C32 2.607(3) . ?
Yb1 C38 2.555(3) . ?
Yb1 C39 2.567(4) . ?
Yb1 C40 2.575(3) . ?
Yb1 C41 2.557(3) . ?
Yb1 C37 2.533(4) . ?
Yb1 C27 2.740(3) . ?
P1 C1 1.793(3) . ?
P1 C2 1.794(3) . ?
P1 B1 2.090(3) . ?
F1 C21 1.358(3) . ?
F2 C13 1.357(3) . ?
F3 C15 1.351(3) . ?
F4 C9 1.352(3) . ?
F5 C19 1.353(4) . ?
F6 C16 1.343(4) . ?
F7 C10 1.348(4) . ?
F8 C22 1.348(3) . ?
F9 C17 1.344(3) . ?
F10 C25 1.351(3) . ?
F11 C12 1.345(4) . ?
F12 C11 1.347(3) . ?
F13 C24 1.341(4) . ?
F14 C23 1.339(3) . ?
F15 C18 1.347(4) . ?
N1 C1 1.326(3) . ?
N1 C3 1.414(3) . ?
C36 H36 0.9500 . ?
C36 C35 1.405(4) . ?
C36 C32 1.404(4) . ?
C35 H35 0.9500 . ?
C35 C34 1.409(5) . ?
C34 H34 0.9500 . ?
C34 C33 1.409(5) . ?
C33 H33 0.9500 . ?
C33 C32 1.407(4) . ?
C32 H32 0.9500 . ?
C38 H38 0.9500 . ?
C38 C39 1.398(6) . ?
C38 C37 1.387(7) . ?
C39 H39 0.9500 . ?
C39 C40 1.386(5) . ?
C40 H40 0.9500 . ?
C40 C41 1.378(5) . ?
C41 H41 0.9500 . ?
C41 C37 1.385(6) . ?
C37 H37 0.9500 . ?
C27 H27 0.9500 . ?
C27 C28 1.391(4) . ?
C27 C26 1.403(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.380(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.384(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.396(4) . ?
C31 H31 0.9500 . ?
C31 C26 1.395(4) . ?
C26 C1 1.481(4) . ?
C3 C4 1.396(4) . ?
C3 C2 1.406(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.389(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.390(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.380(4) . ?
C7 H7 0.9500 . ?
C7 C2 1.401(4) . ?
C20 C25 1.393(4) . ?
C20 C21 1.398(4) . ?
C20 B1 1.627(4) . ?
C25 C24 1.379(4) . ?
C24 C23 1.381(4) . ?
C23 C22 1.381(5) . ?
C22 C21 1.373(4) . ?
C14 C15 1.385(4) . ?
C14 C19 1.395(4) . ?
C14 B1 1.644(4) . ?
C15 C16 1.387(4) . ?
C16 C17 1.371(5) . ?
C17 C18 1.373(5) . ?
C18 C19 1.387(4) . ?
C8 C13 1.390(4) . ?
C8 C9 1.397(4) . ?
C8 B1 1.643(4) . ?
C13 C12 1.383(4) . ?
C12 C11 1.372(5) . ?
C11 C10 1.366(5) . ?
C10 C9 1.384(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.394(10) . ?
C42 C45 1.377(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.409(10) . ?
C44 H44 0.9500 . ?
C44 C47 1.345(8) . ?
C45 H45 0.9500 . ?
C45 C46 1.400(10) . ?
C46 H46 0.9500 . ?
C46 C47 1.420(9) . ?
C47 C48 1.568(10) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?

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
N1 Yb1 C36 119.83(9) . . ?
N1 Yb1 C35 141.20(10) . . ?
N1 Yb1 C34 117.62(10) . . ?
N1 Yb1 C33 89.74(9) . . ?
N1 Yb1 C32 91.14(9) . . ?
N1 Yb1 C38 132.46(11) . . ?
N1 Yb1 C39 120.50(11) . . ?
N1 Yb1 C40 89.51(10) . . ?
N1 Yb1 C41 80.39(10) . . ?
N1 Yb1 C37 104.75(14) . . ?
N1 Yb1 C27 69.84(8) . . ?
C36 Yb1 C33 52.18(10) . . ?
C36 Yb1 C32 31.41(10) . . ?
C36 Yb1 C27 81.94(9) . . ?
C35 Yb1 C36 31.82(10) . . ?
C35 Yb1 C34 32.09(11) . . ?
C35 Yb1 C33 52.63(11) . . ?
C35 Yb1 C32 52.40(10) . . ?
C35 Yb1 C38 79.44(11) . . ?
C35 Yb1 C39 98.16(12) . . ?
C35 Yb1 C40 128.63(11) . . ?
C35 Yb1 C41 127.31(12) . . ?
C35 Yb1 C27 111.31(9) . . ?
C34 Yb1 C36 52.66(10) . . ?
C34 Yb1 C33 31.79(11) . . ?
C34 Yb1 C32 52.40(10) . . ?
C34 Yb1 C38 84.22(12) . . ?
C34 Yb1 C39 113.36(13) . . ?
C34 Yb1 C40 134.15(10) . . ?
C34 Yb1 C41 113.40(12) . . ?
C34 Yb1 C27 132.40(9) . . ?
C33 Yb1 C32 31.40(10) . . ?
C33 Yb1 C27 110.78(10) . . ?
C32 Yb1 C27 81.89(9) . . ?
C38 Yb1 C36 107.09(12) . . ?
C38 Yb1 C33 115.13(13) . . ?
C38 Yb1 C32 131.43(11) . . ?
C38 Yb1 C39 31.68(14) . . ?
C38 Yb1 C40 51.92(11) . . ?
C38 Yb1 C41 52.12(13) . . ?
C38 Yb1 C27 127.46(15) . . ?
C39 Yb1 C36 114.58(11) . . ?
C39 Yb1 C33 145.14(13) . . ?
C39 Yb1 C32 145.98(11) . . ?
C39 Yb1 C40 31.28(12) . . ?
C39 Yb1 C27 96.76(12) . . ?
C40 Yb1 C36 143.88(12) . . ?
C40 Yb1 C33 157.31(11) . . ?
C40 Yb1 C32 171.28(11) . . ?
C40 Yb1 C27 90.18(9) . . ?
C41 Yb1 C36 158.50(12) . . ?
C41 Yb1 C33 126.71(12) . . ?
C41 Yb1 C32 157.23(12) . . ?
C41 Yb1 C39 51.95(12) . . ?
C41 Yb1 C40 31.16(12) . . ?
C41 Yb1 C27 114.18(11) . . ?
C37 Yb1 C36 127.84(13) . . ?
C37 Yb1 C35 96.07(13) . . ?
C37 Yb1 C34 84.26(12) . . ?
C37 Yb1 C33 106.60(12) . . ?
C37 Yb1 C32 135.96(11) . . ?
C37 Yb1 C38 31.64(16) . . ?
C37 Yb1 C39 52.32(14) . . ?
C37 Yb1 C40 51.93(11) . . ?
C37 Yb1 C41 31.58(14) . . ?
C37 Yb1 C27 142.10(11) . . ?
C1 P1 C2 88.06(13) . . ?
C1 P1 B1 105.65(12) . . ?
C2 P1 B1 110.62(13) . . ?
C1 N1 Yb1 114.22(17) . . ?
C1 N1 C3 111.4(2) . . ?
C3 N1 Yb1 133.41(17) . . ?
Yb1 C36 H36 117.9 . . ?
C35 C36 Yb1 72.76(16) . . ?
C35 C36 H36 125.9 . . ?
C32 C36 Yb1 75.35(16) . . ?
C32 C36 H36 125.9 . . ?
C32 C36 C35 108.2(3) . . ?
Yb1 C35 H35 116.4 . . ?
C36 C35 Yb1 75.42(16) . . ?
C36 C35 H35 126.0 . . ?
C36 C35 C34 108.0(3) . . ?
C34 C35 Yb1 74.22(17) . . ?
C34 C35 H35 126.0 . . ?
Yb1 C34 H34 116.7 . . ?
C35 C34 Yb1 73.69(17) . . ?
C35 C34 H34 126.1 . . ?
C33 C34 Yb1 75.59(18) . . ?
C33 C34 C35 107.8(3) . . ?
C33 C34 H34 126.1 . . ?
Yb1 C33 H33 118.4 . . ?
C34 C33 Yb1 72.62(18) . . ?
C34 C33 H33 126.0 . . ?
C32 C33 Yb1 74.93(18) . . ?
C32 C33 C34 108.0(3) . . ?
C32 C33 H33 126.0 . . ?
Yb1 C32 H32 119.0 . . ?
C36 C32 Yb1 73.24(17) . . ?
C36 C32 C33 108.0(3) . . ?
C36 C32 H32 126.0 . . ?
C33 C32 Yb1 73.67(17) . . ?
C33 C32 H32 126.0 . . ?
Yb1 C38 H38 117.9 . . ?
C39 C38 Yb1 74.6(2) . . ?
C39 C38 H38 126.2 . . ?
C37 C38 Yb1 73.3(2) . . ?
C37 C38 H38 126.2 . . ?
C37 C38 C39 107.7(3) . . ?
Yb1 C39 H39 117.5 . . ?
C38 C39 Yb1 73.7(2) . . ?
C38 C39 H39 126.2 . . ?
C40 C39 Yb1 74.7(2) . . ?
C40 C39 C38 107.5(4) . . ?
C40 C39 H39 126.2 . . ?
Yb1 C40 H40 118.4 . . ?
C39 C40 Yb1 74.06(19) . . ?
C39 C40 H40 125.7 . . ?
C41 C40 Yb1 73.71(19) . . ?
C41 C40 C39 108.6(3) . . ?
C41 C40 H40 125.7 . . ?
Yb1 C41 H41 117.6 . . ?
C40 C41 Yb1 75.13(19) . . ?
C40 C41 H41 126.0 . . ?
C40 C41 C37 108.1(4) . . ?
C37 C41 Yb1 73.3(2) . . ?
C37 C41 H41 126.0 . . ?
Yb1 C37 H37 116.0 . . ?
C38 C37 Yb1 75.0(2) . . ?
C38 C37 H37 125.9 . . ?
C41 C37 Yb1 75.1(2) . . ?
C41 C37 C38 108.2(4) . . ?
C41 C37 H37 125.9 . . ?
Yb1 C27 H27 68.4 . . ?
C28 C27 Yb1 111.43(19) . . ?
C28 C27 H27 119.6 . . ?
C28 C27 C26 120.8(3) . . ?
C26 C27 Yb1 89.92(16) . . ?
C26 C27 H27 119.6 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.0(3) . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.1(3) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.3(3) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 119.8 . . ?
C26 C31 C30 120.3(3) . . ?
C26 C31 H31 119.8 . . ?
C27 C26 Yb1 62.95(14) . . ?
C27 C26 C1 120.0(2) . . ?
C31 C26 Yb1 125.63(18) . . ?
C31 C26 C27 118.4(3) . . ?
C31 C26 C1 121.4(2) . . ?
C1 C26 Yb1 78.62(14) . . ?
P1 C1 Yb1 156.06(13) . . ?
N1 C1 Yb1 43.13(13) . . ?
N1 C1 P1 115.3(2) . . ?
N1 C1 C26 116.8(2) . . ?
C26 C1 Yb1 73.84(14) . . ?
C26 C1 P1 127.2(2) . . ?
C4 C3 N1 123.3(3) . . ?
C4 C3 C2 121.6(3) . . ?
C2 C3 N1 115.0(2) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 C3 118.2(3) . . ?
C5 C4 H4 120.9 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.6(3) . . ?
C6 C5 H5 119.7 . . ?
C5 C6 H6 119.3 . . ?
C7 C6 C5 121.3(3) . . ?
C7 C6 H6 119.3 . . ?
C6 C7 H7 120.3 . . ?
C6 C7 C2 119.3(3) . . ?
C2 C7 H7 120.3 . . ?
C3 C2 P1 109.9(2) . . ?
C7 C2 P1 131.0(2) . . ?
C7 C2 C3 118.9(3) . . ?
C25 C20 C21 112.1(2) . . ?
C25 C20 B1 123.7(2) . . ?
C21 C20 B1 123.9(2) . . ?
F10 C25 C20 120.8(3) . . ?
F10 C25 C24 114.1(3) . . ?
C24 C25 C20 125.1(3) . . ?
F13 C24 C25 120.6(3) . . ?
F13 C24 C23 119.6(3) . . ?
C25 C24 C23 119.8(3) . . ?
F14 C23 C24 120.9(3) . . ?
F14 C23 C22 121.0(3) . . ?
C22 C23 C24 118.1(3) . . ?
F8 C22 C23 119.5(3) . . ?
F8 C22 C21 120.5(3) . . ?
C21 C22 C23 119.9(3) . . ?
F1 C21 C20 119.7(2) . . ?
F1 C21 C22 115.3(2) . . ?
C22 C21 C20 125.1(3) . . ?
C15 C14 C19 113.2(3) . . ?
C15 C14 B1 128.0(3) . . ?
C19 C14 B1 118.7(2) . . ?
F3 C15 C14 119.9(3) . . ?
F3 C15 C16 115.7(3) . . ?
C14 C15 C16 124.4(3) . . ?
F6 C16 C15 120.3(3) . . ?
F6 C16 C17 120.1(3) . . ?
C17 C16 C15 119.6(3) . . ?
F9 C17 C16 120.6(3) . . ?
F9 C17 C18 120.3(3) . . ?
C16 C17 C18 119.0(3) . . ?
F15 C18 C17 120.0(3) . . ?
F15 C18 C19 120.5(3) . . ?
C17 C18 C19 119.5(3) . . ?
F5 C19 C14 119.7(3) . . ?
F5 C19 C18 116.0(3) . . ?
C18 C19 C14 124.2(3) . . ?
C13 C8 C9 113.1(3) . . ?
C13 C8 B1 120.5(2) . . ?
C9 C8 B1 126.3(3) . . ?
F2 C13 C8 119.7(2) . . ?
F2 C13 C12 115.6(3) . . ?
C12 C13 C8 124.7(3) . . ?
F11 C12 C13 120.2(3) . . ?
F11 C12 C11 120.7(3) . . ?
C11 C12 C13 119.1(3) . . ?
F12 C11 C12 120.4(3) . . ?
F12 C11 C10 120.3(3) . . ?
C10 C11 C12 119.3(3) . . ?
F7 C10 C11 119.9(3) . . ?
F7 C10 C9 120.0(3) . . ?
C11 C10 C9 120.1(3) . . ?
F4 C9 C8 120.6(3) . . ?
F4 C9 C10 115.8(3) . . ?
C10 C9 C8 123.5(3) . . ?
C20 B1 P1 102.85(18) . . ?
C20 B1 C14 112.4(2) . . ?
C20 B1 C8 119.3(2) . . ?
C14 B1 P1 111.19(19) . . ?
C8 B1 P1 104.34(19) . . ?
C8 B1 C14 106.4(2) . . ?
C43 C42 H42 120.0 . . ?
C45 C42 H42 120.0 . . ?
C45 C42 C43 120.0(8) . . ?
C42 C43 H43 119.7 . . ?
C42 C43 C44 120.7(6) . . ?
C44 C43 H43 119.7 . . ?
C43 C44 H44 119.7 . . ?
C47 C44 C43 120.6(7) . . ?
C47 C44 H44 119.7 . . ?
C42 C45 H45 120.8 . . ?
C42 C45 C46 118.4(8) . . ?
C46 C45 H45 120.8 . . ?
C45 C46 H46 119.0 . . ?
C45 C46 C47 121.9(6) . . ?
C47 C46 H46 119.0 . . ?
C44 C47 C46 118.4(7) . . ?
C44 C47 C48 120.6(8) . . ?
C46 C47 C48 121.0(6) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Yb1 N1 C1 P1 -166.86(12) . . . . ?
Yb1 N1 C1 C26 4.9(3) . . . . ?
Yb1 N1 C3 C4 -8.5(4) . . . . ?
Yb1 N1 C3 C2 168.6(2) . . . . ?
Yb1 C36 C35 C34 67.7(2) . . . . ?
Yb1 C36 C32 C33 -66.0(2) . . . . ?
Yb1 C35 C34 C33 68.5(2) . . . . ?
Yb1 C34 C33 C32 67.1(2) . . . . ?
Yb1 C33 C32 C36 65.7(2) . . . . ?
Yb1 C38 C39 C40 67.6(2) . . . . ?
Yb1 C38 C37 C41 -68.5(3) . . . . ?
Yb1 C39 C40 C41 66.2(2) . . . . ?
Yb1 C40 C41 C37 66.4(2) . . . . ?
Yb1 C41 C37 C38 68.4(3) . . . . ?
Yb1 C27 C28 C29 -104.8(3) . . . . ?
Yb1 C27 C26 C31 117.9(2) . . . . ?
Yb1 C27 C26 C1 -56.6(2) . . . . ?
Yb1 C26 C1 P1 167.2(2) . . . . ?
Yb1 C26 C1 N1 -3.5(2) . . . . ?
F2 C13 C12 F11 1.8(4) . . . . ?
F2 C13 C12 C11 -178.7(3) . . . . ?
F3 C15 C16 F6 -0.1(4) . . . . ?
F3 C15 C16 C17 -179.0(3) . . . . ?
F6 C16 C17 F9 2.0(5) . . . . ?
F6 C16 C17 C18 -176.9(3) . . . . ?
F7 C10 C9 F4 -3.4(4) . . . . ?
F7 C10 C9 C8 178.8(3) . . . . ?
F8 C22 C21 F1 -2.2(4) . . . . ?
F8 C22 C21 C20 178.3(3) . . . . ?
F9 C17 C18 F15 0.2(5) . . . . ?
F9 C17 C18 C19 -179.7(3) . . . . ?
F10 C25 C24 F13 1.5(5) . . . . ?
F10 C25 C24 C23 -178.6(3) . . . . ?
F11 C12 C11 F12 -1.2(4) . . . . ?
F11 C12 C11 C10 -179.2(3) . . . . ?
F12 C11 C10 F7 -0.2(4) . . . . ?
F12 C11 C10 C9 -179.2(3) . . . . ?
F13 C24 C23 F14 0.6(5) . . . . ?
F13 C24 C23 C22 -179.6(3) . . . . ?
F14 C23 C22 F8 -0.3(5) . . . . ?
F14 C23 C22 C21 180.0(3) . . . . ?
F15 C18 C19 F5 -3.3(5) . . . . ?
F15 C18 C19 C14 178.5(3) . . . . ?
N1 C3 C4 C5 178.4(3) . . . . ?
N1 C3 C2 P1 -4.4(3) . . . . ?
N1 C3 C2 C7 -178.9(3) . . . . ?
C36 C35 C34 Yb1 -68.5(2) . . . . ?
C36 C35 C34 C33 0.0(3) . . . . ?
C35 C36 C32 Yb1 65.9(2) . . . . ?
C35 C36 C32 C33 -0.1(3) . . . . ?
C35 C34 C33 Yb1 -67.2(2) . . . . ?
C35 C34 C33 C32 -0.1(3) . . . . ?
C34 C33 C32 Yb1 -65.6(2) . . . . ?
C34 C33 C32 C36 0.1(3) . . . . ?
C32 C36 C35 Yb1 -67.6(2) . . . . ?
C32 C36 C35 C34 0.1(3) . . . . ?
C38 C39 C40 Yb1 -66.9(2) . . . . ?
C38 C39 C40 C41 -0.7(4) . . . . ?
C39 C38 C37 Yb1 67.3(3) . . . . ?
C39 C38 C37 C41 -1.1(4) . . . . ?
C39 C40 C41 Yb1 -66.4(2) . . . . ?
C39 C40 C41 C37 0.0(4) . . . . ?
C40 C41 C37 Yb1 -67.7(2) . . . . ?
C40 C41 C37 C38 0.7(4) . . . . ?
C37 C38 C39 Yb1 -66.4(3) . . . . ?
C37 C38 C39 C40 1.1(4) . . . . ?
C27 C28 C29 C30 -1.4(5) . . . . ?
C27 C26 C1 Yb1 49.4(2) . . . . ?
C27 C26 C1 P1 -143.5(2) . . . . ?
C27 C26 C1 N1 45.8(4) . . . . ?
C28 C27 C26 Yb1 -115.1(3) . . . . ?
C28 C27 C26 C31 2.7(4) . . . . ?
C28 C27 C26 C1 -171.8(3) . . . . ?
C28 C29 C30 C31 2.7(5) . . . . ?
C29 C30 C31 C26 -1.4(4) . . . . ?
C30 C31 C26 Yb1 74.3(3) . . . . ?
C30 C31 C26 C27 -1.4(4) . . . . ?
C30 C31 C26 C1 173.1(3) . . . . ?
C31 C26 C1 Yb1 -125.0(3) . . . . ?
C31 C26 C1 P1 42.2(4) . . . . ?
C31 C26 C1 N1 -128.5(3) . . . . ?
C26 C27 C28 C29 -1.4(4) . . . . ?
C1 P1 C2 C3 5.1(2) . . . . ?
C1 P1 C2 C7 178.7(3) . . . . ?
C1 N1 C3 C4 -176.3(3) . . . . ?
C1 N1 C3 C2 0.7(4) . . . . ?
C3 N1 C1 Yb1 170.3(3) . . . . ?
C3 N1 C1 P1 3.5(3) . . . . ?
C3 N1 C1 C26 175.3(2) . . . . ?
C3 C4 C5 C6 -0.1(5) . . . . ?
C4 C3 C2 P1 172.7(3) . . . . ?
C4 C3 C2 C7 -1.8(5) . . . . ?
C4 C5 C6 C7 -1.1(6) . . . . ?
C5 C6 C7 C2 0.8(5) . . . . ?
C6 C7 C2 P1 -172.5(3) . . . . ?
C6 C7 C2 C3 0.6(5) . . . . ?
C2 P1 C1 Yb1 -27.6(3) . . . . ?
C2 P1 C1 N1 -5.1(2) . . . . ?
C2 P1 C1 C26 -175.9(3) . . . . ?
C2 C3 C4 C5 1.6(5) . . . . ?
C20 C25 C24 F13 -179.4(3) . . . . ?
C20 C25 C24 C23 0.5(5) . . . . ?
C25 C20 C21 F1 -176.8(2) . . . . ?
C25 C20 C21 C22 2.7(4) . . . . ?
C25 C20 B1 P1 96.9(3) . . . . ?
C25 C20 B1 C14 -22.7(4) . . . . ?
C25 C20 B1 C8 -148.3(3) . . . . ?
C25 C24 C23 F14 -179.3(3) . . . . ?
C25 C24 C23 C22 0.5(5) . . . . ?
C24 C23 C22 F8 180.0(3) . . . . ?
C24 C23 C22 C21 0.2(5) . . . . ?
C23 C22 C21 F1 177.5(3) . . . . ?
C23 C22 C21 C20 -2.0(5) . . . . ?
C21 C20 C25 F10 177.1(3) . . . . ?
C21 C20 C25 C24 -2.0(4) . . . . ?
C21 C20 B1 P1 -75.1(3) . . . . ?
C21 C20 B1 C14 165.2(3) . . . . ?
C21 C20 B1 C8 39.6(4) . . . . ?
C14 C15 C16 F6 177.8(3) . . . . ?
C14 C15 C16 C17 -1.2(5) . . . . ?
C15 C14 C19 F5 -175.8(3) . . . . ?
C15 C14 C19 C18 2.4(4) . . . . ?
C15 C14 B1 P1 -15.1(4) . . . . ?
C15 C14 B1 C20 99.5(3) . . . . ?
C15 C14 B1 C8 -128.2(3) . . . . ?
C15 C16 C17 F9 -179.0(3) . . . . ?
C15 C16 C17 C18 2.1(5) . . . . ?
C16 C17 C18 F15 179.1(3) . . . . ?
C16 C17 C18 C19 -0.7(5) . . . . ?
C17 C18 C19 F5 176.6(3) . . . . ?
C17 C18 C19 C14 -1.6(5) . . . . ?
C19 C14 C15 F3 176.8(3) . . . . ?
C19 C14 C15 C16 -1.0(4) . . . . ?
C19 C14 B1 P1 166.4(2) . . . . ?
C19 C14 B1 C20 -78.9(3) . . . . ?
C19 C14 B1 C8 53.4(3) . . . . ?
C8 C13 C12 F11 -177.6(3) . . . . ?
C8 C13 C12 C11 1.8(4) . . . . ?
C13 C8 C9 F4 -172.9(2) . . . . ?
C13 C8 C9 C10 4.8(4) . . . . ?
C13 C8 B1 P1 -50.7(3) . . . . ?
C13 C8 B1 C20 -164.6(2) . . . . ?
C13 C8 B1 C14 67.0(3) . . . . ?
C13 C12 C11 F12 179.3(3) . . . . ?
C13 C12 C11 C10 1.3(4) . . . . ?
C12 C11 C10 F7 177.8(3) . . . . ?
C12 C11 C10 C9 -1.2(5) . . . . ?
C11 C10 C9 F4 175.6(3) . . . . ?
C11 C10 C9 C8 -2.2(5) . . . . ?
C9 C8 C13 F2 175.9(2) . . . . ?
C9 C8 C13 C12 -4.7(4) . . . . ?
C9 C8 B1 P1 132.0(2) . . . . ?
C9 C8 B1 C20 18.0(4) . . . . ?
C9 C8 B1 C14 -110.3(3) . . . . ?
B1 P1 C1 Yb1 -138.5(3) . . . . ?
B1 P1 C1 N1 -115.9(2) . . . . ?
B1 P1 C1 C26 73.3(3) . . . . ?
B1 P1 C2 C3 111.1(2) . . . . ?
B1 P1 C2 C7 -75.3(3) . . . . ?
B1 C20 C25 F10 4.2(4) . . . . ?
B1 C20 C25 C24 -174.8(3) . . . . ?
B1 C20 C21 F1 -3.9(4) . . . . ?
B1 C20 C21 C22 175.6(3) . . . . ?
B1 C14 C15 F3 -1.7(4) . . . . ?
B1 C14 C15 C16 -179.5(3) . . . . ?
B1 C14 C19 F5 2.9(4) . . . . ?
B1 C14 C19 C18 -179.0(3) . . . . ?
B1 C8 C13 F2 -1.8(4) . . . . ?
B1 C8 C13 C12 177.6(3) . . . . ?
B1 C8 C9 F4 4.6(4) . . . . ?
B1 C8 C9 C10 -177.6(3) . . . . ?
C42 C43 C44 C47 -0.3(10) . . . . ?
C42 C45 C46 C47 -0.2(11) . . . . ?
C43 C42 C45 C46 -1.2(11) . . . . ?
C43 C44 C47 C46 -1.0(9) . . . . ?
C43 C44 C47 C48 179.7(6) . . . . ?
C45 C42 C43 C44 1.5(11) . . . . ?
C45 C46 C47 C44 1.3(10) . . . . ?
C45 C46 C47 C48 -179.5(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
