#------------------------------------------------------------------------------
#$Date: 2015-12-09 13:49:01 +0200 (Wed, 09 Dec 2015) $
#$Revision: 170975 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/30/1533012.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1533012
loop_
_publ_author_name
'Arleth, Nicholas'
'Gamer, Michael T.'
'Köppe, Ralf'
'Pushkarevsky, Nikolay A.'
'Konchenko, Sergey N.'
'Fleischmann, Martin'
'Bodensteiner, Michael'
'Scheer, Manfred'
'Roesky, Peter W.'
_publ_section_title
;
 The approach to 4d/4f-polyphosphides
;
_journal_issue                   12
_journal_name_full               'Chem. Sci.'
_journal_page_first              7179
_journal_paper_doi               10.1039/C5SC02252E
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         'C64 H90 Mo2 O4 P6 Yb2, 2(C7 H8)'
_chemical_formula_sum            'C78 H106 Mo2 O4 P6 Yb2'
_chemical_formula_weight         1831.40
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-03-30
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-05-20 deposited with the CCDC.
2015-09-08 downloaded from the CCDC.
;
_cell_angle_alpha                99.581(2)
_cell_angle_beta                 110.455(2)
_cell_angle_gamma                94.847(2)
_cell_formula_units_Z            1
_cell_length_a                   11.1924(3)
_cell_length_b                   12.6285(3)
_cell_length_c                   14.6371(4)
_cell_measurement_reflns_used    31280
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.06
_cell_measurement_theta_min      1.97
_cell_volume                     1888.44(9)
_computing_cell_refinement       'STOE X-AREA, PLATON (A.L.Spek, 2009)'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED & LANA, PLATON (A.L.Spek, 2009)'
_computing_molecular_graphics    'Diamond 2/3, Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'MS Word, Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'CMOS pixel detector'
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'Dectris Pilatus 100k'
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'single reflection optic'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_laue_measured_fraction_full 0.987
_diffrn_reflns_laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17122
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.042
_diffrn_reflns_theta_min         1.966
_diffrn_source                   'Mo LFF Sealed Tube'
_diffrn_source_type              'Xenocs Genix3D microfocus'
_exptl_absorpt_coefficient_mu    2.952
_exptl_absorpt_correction_T_max  0.8814
_exptl_absorpt_correction_T_min  0.6591
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED, X-SHAPE & LANA'
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_description       plate
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.141
_exptl_crystal_size_min          0.049
_refine_diff_density_max         2.964
_refine_diff_density_min         -2.488
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     691
_refine_ls_number_reflns         7340
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0433P)²+10.1569P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1033
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6799
_reflns_number_total             7340
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5sc02252e2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 1533007--1533012.cif.'
_cod_database_code               1533012
_shelxl_version_number           2014/7
_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.
;
_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. Restrained distances
 C42-C40
 2.5 with sigma of 0.005
 C46-C40
 2.5 with sigma of 0.005
3. Uiso/Uaniso restraints and constraints
Uanis(C1B) \\sim Ueq, Uanis(C10A) \\sim Ueq, Uanis(C14A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: P1(0.5) P2(0.5) P3(0.5) P4(0.5) P5(0.5) P6(0.5) O1A(0.5) O2A(0.25)
 O2C(0.25) O1B(0.5) O2B(0.25) O2D(0.25) C1A(0.5) C2A(0.5) C3A(0.5) C4A(0.5)
 C5A(0.5) C6A(0.5) H6AA(0.5) H6AB(0.5) H6AC(0.5) C7A(0.5) H7AA(0.5) H7AB(0.5)
 H7AC(0.5) C8A(0.5) H8AA(0.5) H8AB(0.5) H8AC(0.5) C9A(0.5) H9AA(0.5) H9AB(0.5)
 H9AC(0.5) C10A(0.5) H10A(0.5) H10B(0.5) H10C(0.5) C11A(0.5) C12A(0.5)
 C13A(0.5) C14A(0.5) C15A(0.5) C16A(0.5) H16A(0.5) H16B(0.5) H16C(0.5)
 C17A(0.5) H17A(0.5) H17B(0.5) H17C(0.5) C18A(0.5) H18A(0.5) H18B(0.5)
 H18C(0.5) C19A(0.5) H19A(0.5) H19B(0.5) H19C(0.5) C20A(0.5) H20A(0.5)
 H20B(0.5) H20C(0.5) C21A(0.34) C22A(0.34) C23A(0.34) C24A(0.34) C25A(0.34)
 C26A(0.34) H26A(0.34) H26B(0.34) H26C(0.34) C27A(0.34) H27A(0.34) H27B(0.34)
 H27C(0.34) C28A(0.34) H28A(0.34) H28B(0.34) H28C(0.34) C29A(0.34) H29A(0.34)
 H29B(0.34) H29C(0.34) C30A(0.34) H30A(0.34) H30B(0.34) H30C(0.34) C31A(0.5)
 C32A(0.25) C32C(0.25) C1B(0.5) C2B(0.5) C3B(0.5) C4B(0.5) C5B(0.5) C6B(0.5)
 H6BA(0.5) H6BB(0.5) H6BC(0.5) C7B(0.5) H7BA(0.5) H7BB(0.5) H7BC(0.5) C8B(0.5)
 H8BA(0.5) H8BB(0.5) H8BC(0.5) C9B(0.5) H9BA(0.5) H9BB(0.5) H9BC(0.5) C10B(0.5)
 H10D(0.5) H10E(0.5) H10F(0.5) C11B(0.5) C12B(0.5) C13B(0.5) C14B(0.5)
 C15B(0.5) C16B(0.5) H16D(0.5) H16E(0.5) H16F(0.5) C17B(0.5) H17D(0.5)
 H17E(0.5) H17F(0.5) C18B(0.5) H18D(0.5) H18E(0.5) H18F(0.5) C19B(0.5)
 H19D(0.5) H19E(0.5) H19F(0.5) C20B(0.5) H20D(0.5) H20E(0.5) H20F(0.5)
 C21B(0.33) C22B(0.33) C23B(0.33) C24B(0.33) C25B(0.33) C26B(0.33) H26D(0.33)
 H26E(0.33) H26F(0.33) C27B(0.33) H27D(0.33) H27E(0.33) H27F(0.33) C28B(0.33)
 H28D(0.33) H28E(0.33) H28F(0.33) C29B(0.33) H29D(0.33) H29E(0.33) H29F(0.33)
 C30B(0.33) H30D(0.33) H30E(0.33) H30F(0.33) C31B(0.5) C32B(0.25) C32D(0.25)
 C21C(0.33) C22C(0.33) C23C(0.33) C24C(0.33) C25C(0.33) C26C(0.33) H26G(0.33)
 H26H(0.33) H26I(0.33) C27C(0.33) H27G(0.33) H27H(0.33) H27I(0.33) C28C(0.33)
 H28G(0.33) H28H(0.33) H28I(0.33) C29C(0.33) H29G(0.33) H29H(0.33) H29I(0.33)
 C30C(0.33) H30G(0.33) H30H(0.33) H30I(0.33) C40(0.5) H40A(0.5) H40B(0.5)
 H40C(0.5) C41(0.5) C42(0.5) H42(0.5) C43(0.5) H43(0.5) C44(0.5) H44(0.5)
 C45(0.5) H45(0.5) C46(0.5) H46(0.5) C33(0.5) H33A(0.5) H33B(0.5) H33C(0.5)
 C34(0.5) C35(0.5) H35(0.5) C36(0.5) H36(0.5) C37(0.5) H37(0.5) C38(0.5)
 H38(0.5) C39(0.5) H39(0.5)
5.a :
 C11B(C12B,C13B,C14B,C15B)
5.b Me refined with riding coordinates:
 C40(H40A,H40B,H40C)
5.c Aromatic/amide H refined with riding coordinates:
 C42(H42), C43(H43), C44(H44), C45(H45), C46(H46), C35(H35), C36(H36),
 C37(H37), C38(H38), C39(H39)
5.d Fitted hexagon refined as free rotating group:
 C41(C42,C43,C44,C45,C46), C34(C35,C36,C37,C38,C39)
5.e Idealised Me refined as rotating group:
 C6A(H6AA,H6AB,H6AC), C7A(H7AA,H7AB,H7AC), C8A(H8AA,H8AB,H8AC), C9A(H9AA,H9AB,
 H9AC), C10A(H10A,H10B,H10C), C16A(H16A,H16B,H16C), C17A(H17A,H17B,H17C),
 C18A(H18A,H18B,H18C), C19A(H19A,H19B,H19C), C20A(H20A,H20B,H20C), C26A(H26A,
 H26B,H26C), C27A(H27A,H27B,H27C), C28A(H28A,H28B,H28C), C29A(H29A,H29B,H29C),
 C30A(H30A,H30B,H30C), C6B(H6BA,H6BB,H6BC), C7B(H7BA,H7BB,H7BC), C8B(H8BA,H8BB,
 H8BC), C9B(H9BA,H9BB,H9BC), C10B(H10D,H10E,H10F), C16B(H16D,H16E,H16F),
 C17B(H17D,H17E,H17F), C18B(H18D,H18E,H18F), C19B(H19D,H19E,H19F), C20B(H20D,
 H20E,H20F), C26B(H26D,H26E,H26F), C27B(H27D,H27E,H27F), C28B(H28D,H28E,H28F),
 C29B(H29D,H29E,H29F), C30B(H30D,H30E,H30F), C26C(H26G,H26H,H26I), C27C(H27G,
 H27H,H27I), C28C(H28G,H28H,H28I), C29C(H29G,H29H,H29I), C30C(H30G,H30H,H30I),
 C33(H33A,H33B,H33C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.59979(2) 0.87689(2) 0.73988(2) 0.02552(8) Uani 1 1 d . . . . .
Mo1 Mo 0.22751(6) 0.80313(6) 0.38885(7) 0.0688(2) Uani 1 1 d . . . . .
P1 P 0.2814(3) 0.9772(3) 0.4866(3) 0.0508(10) Uani 0.5 1 d . . P . .
P2 P 0.3187(3) 0.9518(2) 0.3429(2) 0.0290(6) Uani 0.5 1 d . . P A .
P3 P 0.4390(3) 1.0635(3) 0.4796(3) 0.0426(8) Uani 0.5 1 d . . P A .
P4 P 0.4032(3) 0.8473(3) 0.5425(2) 0.0302(6) Uani 0.5 1 d . . P A .
P5 P 0.4380(3) 0.8218(3) 0.3973(3) 0.0483(9) Uani 0.5 1 d . . P . .
P6 P 0.4773(4) 1.0196(3) 0.5679(3) 0.0508(9) Uani 0.5 1 d . . P A .
O1A O 0.2550(8) 0.9768(6) 0.2502(6) 0.0342(17) Uani 0.5 1 d . . P A 1
O2A O 0.4380(18) 0.6731(16) 0.3243(16) 0.040(4) Uiso 0.25 1 d . . P B 1
O2C O 0.129(2) 1.0282(19) 0.486(2) 0.055(6) Uani 0.25 1 d . . P C 1
O1B O 0.4090(8) 0.7891(7) 0.6137(6) 0.0378(19) Uani 0.5 1 d . . P A 2
O2B O 0.4334(18) 0.6916(16) 0.2912(16) 0.040(4) Uiso 0.25 1 d . . P B 2
O2D O 0.139(2) 0.993(2) 0.5300(17) 0.049(5) Uani 0.25 1 d . . P C 2
C1A C 0.418(3) 0.965(4) 0.7866(13) 0.043(6) Uani 0.5 1 d . . P B 1
C2A C 0.442(4) 0.877(2) 0.836(3) 0.034(4) Uani 0.5 1 d . . P B 1
C3A C 0.565(5) 0.903(4) 0.911(2) 0.046(8) Uani 0.5 1 d . . P B 1
C4A C 0.620(4) 1.005(3) 0.905(3) 0.047(9) Uani 0.5 1 d . . P B 1
C5A C 0.528(6) 1.0440(16) 0.831(4) 0.046(5) Uani 0.5 1 d . . P B 1
C6A C 0.2868(17) 0.9752(18) 0.7121(12) 0.068(5) Uani 0.5 1 d . . P B 1
H6AA H 0.2528 0.9082 0.6606 0.103 Uiso 0.5 1 calc GR . P B 1
H6AB H 0.2964 1.0366 0.6808 0.103 Uiso 0.5 1 calc GR . P B 1
H6AC H 0.2271 0.9875 0.7468 0.103 Uiso 0.5 1 calc GR . P B 1
C7A C 0.3417(19) 0.7801(16) 0.8157(14) 0.072(5) Uani 0.5 1 d . . P B 1
H7AA H 0.3170 0.7402 0.7467 0.107 Uiso 0.5 1 calc GR . P B 1
H7AB H 0.2655 0.8043 0.8258 0.107 Uiso 0.5 1 calc GR . P B 1
H7AC H 0.3775 0.7324 0.8615 0.107 Uiso 0.5 1 calc GR . P B 1
C8A C 0.615(2) 0.8484(18) 0.9954(12) 0.074(6) Uani 0.5 1 d . . P B 1
H8AA H 0.6045 0.8896 1.0542 0.111 Uiso 0.5 1 calc GR . P B 1
H8AB H 0.7068 0.8446 1.0100 0.111 Uiso 0.5 1 calc GR . P B 1
H8AC H 0.5671 0.7747 0.9779 0.111 Uiso 0.5 1 calc GR . P B 1
C9A C 0.7478(19) 1.0712(18) 0.9755(15) 0.083(7) Uani 0.5 1 d . . P B 1
H9AA H 0.7919 1.0300 1.0252 0.124 Uiso 0.5 1 calc GR . P B 1
H9AB H 0.7331 1.1397 1.0093 0.124 Uiso 0.5 1 calc GR . P B 1
H9AC H 0.8015 1.0865 0.9374 0.124 Uiso 0.5 1 calc GR . P B 1
C10A C 0.539(2) 1.1595(14) 0.8121(15) 0.074(5) Uani 0.5 1 d . U P B 1
H10A H 0.4713 1.1619 0.7485 0.110 Uiso 0.5 1 calc GR . P B 1
H10B H 0.6237 1.1801 0.8095 0.110 Uiso 0.5 1 calc GR . P B 1
H10C H 0.5282 1.2103 0.8662 0.110 Uiso 0.5 1 calc GR . P B 1
C11A C 0.624(2) 0.6750(19) 0.686(3) 0.025(4) Uani 0.5 1 d . . P B 1
C12A C 0.709(4) 0.740(3) 0.647(3) 0.041(8) Uani 0.5 1 d . . P B 1
C13A C 0.811(2) 0.799(2) 0.737(2) 0.035(5) Uani 0.5 1 d . . P B 1
C14A C 0.794(2) 0.777(2) 0.8200(14) 0.037(5) Uani 0.5 1 d . U P B 1
C15A C 0.681(3) 0.698(2) 0.790(2) 0.036(5) Uani 0.5 1 d . . P B 1
C16A C 0.5110(16) 0.5915(12) 0.6199(15) 0.051(4) Uani 0.5 1 d . . P B 1
H16A H 0.4434 0.5922 0.6481 0.077 Uiso 0.5 1 calc GR . P B 1
H16B H 0.5376 0.5195 0.6151 0.077 Uiso 0.5 1 calc GR . P B 1
H16C H 0.4775 0.6080 0.5533 0.077 Uiso 0.5 1 calc GR . P B 1
C17A C 0.703(2) 0.7301(17) 0.5458(13) 0.063(5) Uani 0.5 1 d . . P B 1
H17A H 0.7660 0.6855 0.5353 0.095 Uiso 0.5 1 calc GR . P B 1
H17B H 0.7215 0.8025 0.5337 0.095 Uiso 0.5 1 calc GR . P B 1
H17C H 0.6158 0.6957 0.4995 0.095 Uiso 0.5 1 calc GR . P B 1
C18A C 0.9272(15) 0.8652(13) 0.7346(15) 0.056(4) Uani 0.5 1 d . . P B 1
H18A H 0.9924 0.8184 0.7332 0.085 Uiso 0.5 1 calc GR . P B 1
H18B H 0.9631 0.9240 0.7941 0.085 Uiso 0.5 1 calc GR . P B 1
H18C H 0.9020 0.8962 0.6748 0.085 Uiso 0.5 1 calc GR . P B 1
C19A C 0.8948(18) 0.811(2) 0.9245(12) 0.073(6) Uani 0.5 1 d . . P B 1
H19A H 0.9014 0.8890 0.9487 0.110 Uiso 0.5 1 calc GR . P B 1
H19B H 0.9785 0.7942 0.9237 0.110 Uiso 0.5 1 calc GR . P B 1
H19C H 0.8698 0.7709 0.9687 0.110 Uiso 0.5 1 calc GR . P B 1
C20A C 0.638(2) 0.6285(14) 0.8492(15) 0.069(6) Uani 0.5 1 d . . P B 1
H20A H 0.5462 0.6303 0.8364 0.104 Uiso 0.5 1 calc GR . P B 1
H20B H 0.6883 0.6565 0.9204 0.104 Uiso 0.5 1 calc GR . P B 1
H20C H 0.6509 0.5535 0.8301 0.104 Uiso 0.5 1 calc GR . P B 1
C21A C 0.076(3) 0.666(2) 0.256(2) 0.036(8) Uiso 0.34 1 d . . P D 1
C22A C 0.016(3) 0.748(2) 0.273(2) 0.023(7) Uiso 0.34 1 d . . P D 1
C23A C 0.0167(16) 0.7728(18) 0.3717(14) 0.024(4) Uiso 0.34 1 d . . P D 1
C24A C 0.074(3) 0.683(2) 0.417(2) 0.028(7) Uiso 0.34 1 d . . P D 1
C25A C 0.116(2) 0.6226(16) 0.341(2) 0.030(5) Uiso 0.34 1 d . . P D 1
C26A C 0.082(2) 0.627(2) 0.1535(18) 0.048(5) Uiso 0.34 1 d . . P D 1
H26A H 0.0001 0.5826 0.1087 0.072 Uiso 0.34 1 calc GR . P D 1
H26B H 0.1523 0.5838 0.1597 0.072 Uiso 0.34 1 calc GR . P D 1
H26C H 0.0985 0.6902 0.1262 0.072 Uiso 0.34 1 calc GR . P D 1
C27A C -0.049(2) 0.8260(19) 0.1993(19) 0.042(5) Uiso 0.34 1 d . . P D 1
H27A H -0.0009 0.8347 0.1559 0.064 Uiso 0.34 1 calc GR . P D 1
H27B H -0.0477 0.8973 0.2387 0.064 Uiso 0.34 1 calc GR . P D 1
H27C H -0.1388 0.7935 0.1584 0.064 Uiso 0.34 1 calc GR . P D 1
C28A C -0.0437(16) 0.8464(13) 0.4243(12) 0.030(3) Uiso 0.34 1 d . . P D 1
H28A H 0.0069 0.8615 0.4961 0.045 Uiso 0.34 1 calc GR . P D 1
H28B H -0.1316 0.8124 0.4115 0.045 Uiso 0.34 1 calc GR . P D 1
H28C H -0.0469 0.9145 0.4004 0.045 Uiso 0.34 1 calc GR . P D 1
C29A C 0.0850(19) 0.6553(16) 0.5100(14) 0.037(4) Uiso 0.34 1 d . . P D 1
H29A H 0.1043 0.7219 0.5612 0.056 Uiso 0.34 1 calc GR . P D 1
H29B H 0.1546 0.6118 0.5298 0.056 Uiso 0.34 1 calc GR . P D 1
H29C H 0.0034 0.6132 0.5029 0.056 Uiso 0.34 1 calc GR . P D 1
C30A C 0.169(2) 0.5158(18) 0.3420(18) 0.053(5) Uiso 0.34 1 d . . P D 1
H30A H 0.1091 0.4616 0.3519 0.079 Uiso 0.34 1 calc GR . P D 1
H30B H 0.2531 0.5266 0.3966 0.079 Uiso 0.34 1 calc GR . P D 1
H30C H 0.1786 0.4902 0.2784 0.079 Uiso 0.34 1 calc GR . P D 1
C31A C 0.2485(12) 0.9146(10) 0.2992(9) 0.033(2) Uani 0.5 1 d . . P A 1
C32A C 0.370(2) 0.719(2) 0.349(2) 0.028(6) Uiso 0.25 1 d . . P B 1
C32C C 0.164(2) 0.9571(19) 0.4529(19) 0.030(5) Uiso 0.25 1 d . . P C 1
C1B C 0.469(3) 1.013(3) 0.8028(14) 0.030(5) Uani 0.5 1 d . U P B 2
C2B C 0.4103(19) 0.909(3) 0.801(2) 0.025(3) Uani 0.5 1 d . . P B 2
C3B C 0.498(4) 0.8642(17) 0.874(2) 0.032(4) Uani 0.5 1 d . . P B 2
C4B C 0.612(4) 0.943(3) 0.923(2) 0.038(6) Uani 0.5 1 d . . P B 2
C5B C 0.592(2) 1.034(3) 0.878(2) 0.030(5) Uani 0.5 1 d . . P B 2
C6B C 0.3982(16) 1.0946(12) 0.7467(11) 0.052(3) Uani 0.5 1 d . . P B 2
H6BA H 0.4448 1.1195 0.7067 0.079 Uiso 0.5 1 calc GR . P B 2
H6BB H 0.3937 1.1569 0.7946 0.079 Uiso 0.5 1 calc GR . P B 2
H6BC H 0.3106 1.0597 0.7028 0.079 Uiso 0.5 1 calc GR . P B 2
C7B C 0.2706(11) 0.8577(12) 0.7422(10) 0.047(3) Uani 0.5 1 d . . P B 2
H7BA H 0.2393 0.8836 0.6797 0.070 Uiso 0.5 1 calc GR . P B 2
H7BB H 0.2179 0.8784 0.7815 0.070 Uiso 0.5 1 calc GR . P B 2
H7BC H 0.2645 0.7784 0.7273 0.070 Uiso 0.5 1 calc GR . P B 2
C8B C 0.4636(16) 0.7634(13) 0.9081(13) 0.056(4) Uani 0.5 1 d . . P B 2
H8BA H 0.4297 0.7017 0.8511 0.084 Uiso 0.5 1 calc GR . P B 2
H8BB H 0.3980 0.7754 0.9373 0.084 Uiso 0.5 1 calc GR . P B 2
H8BC H 0.5410 0.7478 0.9583 0.084 Uiso 0.5 1 calc GR . P B 2
C9B C 0.7226(14) 0.9471(15) 1.0189(9) 0.053(4) Uani 0.5 1 d . . P B 2
H9BA H 0.7194 1.0058 1.0706 0.079 Uiso 0.5 1 calc GR . P B 2
H9BB H 0.8043 0.9606 1.0090 0.079 Uiso 0.5 1 calc GR . P B 2
H9BC H 0.7164 0.8777 1.0397 0.079 Uiso 0.5 1 calc GR . P B 2
C10B C 0.6830(14) 1.1409(12) 0.9118(12) 0.052(4) Uani 0.5 1 d . . P B 2
H10D H 0.6575 1.1839 0.8602 0.078 Uiso 0.5 1 calc GR . P B 2
H10E H 0.7714 1.1268 0.9237 0.078 Uiso 0.5 1 calc GR . P B 2
H10F H 0.6790 1.1811 0.9737 0.078 Uiso 0.5 1 calc GR . P B 2
C11B C 0.680(3) 0.722(3) 0.6452(16) 0.029(7) Uani 0.5 1 d . . P B 2
C12B C 0.790(2) 0.7988(18) 0.6984(18) 0.034(5) Uani 0.5 1 d G . P B 2
C13B C 0.8201(15) 0.8011(14) 0.7993(15) 0.037(5) Uani 0.5 1 d G . P B 2
C14B C 0.729(2) 0.7260(19) 0.8084(15) 0.034(5) Uani 0.5 1 d G . P B 2
C15B C 0.642(2) 0.677(2) 0.7131(19) 0.054(13) Uani 0.5 1 d G . P B 2
C16B C 0.6283(19) 0.6822(15) 0.5292(10) 0.057(5) Uani 0.5 1 d . . P B 2
H16D H 0.5338 0.6730 0.5025 0.085 Uiso 0.5 1 calc GR . P B 2
H16E H 0.6564 0.6126 0.5128 0.085 Uiso 0.5 1 calc GR . P B 2
H16F H 0.6623 0.7360 0.4998 0.085 Uiso 0.5 1 calc GR . P B 2
C17B C 0.8785(15) 0.8558(13) 0.6577(15) 0.054(4) Uani 0.5 1 d . . P B 2
H17D H 0.9487 0.8141 0.6585 0.081 Uiso 0.5 1 calc GR . P B 2
H17E H 0.9147 0.9288 0.6992 0.081 Uiso 0.5 1 calc GR . P B 2
H17F H 0.8295 0.8615 0.5891 0.081 Uiso 0.5 1 calc GR . P B 2
C18B C 0.9372(14) 0.8649(13) 0.8837(13) 0.054(4) Uani 0.5 1 d . . P B 2
H18D H 1.0150 0.8489 0.8713 0.081 Uiso 0.5 1 calc GR . P B 2
H18E H 0.9401 0.8446 0.9462 0.081 Uiso 0.5 1 calc GR . P B 2
H18F H 0.9329 0.9427 0.8889 0.081 Uiso 0.5 1 calc GR . P B 2
C19B C 0.7388(19) 0.6785(16) 0.8988(13) 0.061(4) Uani 0.5 1 d . . P B 2
H19D H 0.7822 0.7348 0.9595 0.092 Uiso 0.5 1 calc GR . P B 2
H19E H 0.7886 0.6182 0.9004 0.092 Uiso 0.5 1 calc GR . P B 2
H19F H 0.6520 0.6519 0.8950 0.092 Uiso 0.5 1 calc GR . P B 2
C20B C 0.5245(17) 0.5870(13) 0.6822(17) 0.059(4) Uani 0.5 1 d . . P B 2
H20D H 0.4822 0.5985 0.7306 0.089 Uiso 0.5 1 calc GR . P B 2
H20E H 0.5534 0.5158 0.6804 0.089 Uiso 0.5 1 calc GR . P B 2
H20F H 0.4633 0.5896 0.6159 0.089 Uiso 0.5 1 calc GR . P B 2
C21B C 0.142(2) 0.6260(18) 0.318(2) 0.036(5) Uiso 0.33 1 d . . P D 2
C22B C 0.083(2) 0.684(3) 0.2436(18) 0.026(6) Uiso 0.33 1 d . . P D 2
C23B C 0.010(3) 0.767(2) 0.282(2) 0.031(9) Uiso 0.33 1 d . . P D 2
C24B C 0.022(2) 0.737(3) 0.3749(19) 0.036(5) Uiso 0.33 1 d . . P D 2
C25B C 0.106(3) 0.658(2) 0.401(2) 0.036(5) Uiso 0.33 1 d . . P D 2
C26B C 0.228(5) 0.536(4) 0.308(5) 0.135(17) Uiso 0.33 1 d . . P D 2
H26D H 0.2767 0.5543 0.2673 0.203 Uiso 0.33 1 calc GR . P D 2
H26E H 0.1724 0.4658 0.2762 0.203 Uiso 0.33 1 calc GR . P D 2
H26F H 0.2877 0.5326 0.3744 0.203 Uiso 0.33 1 calc GR . P D 2
C27B C 0.075(4) 0.664(4) 0.138(3) 0.086(11) Uiso 0.33 1 d . . P D 2
H27D H 0.1526 0.6362 0.1345 0.130 Uiso 0.33 1 calc GR . P D 2
H27E H 0.0682 0.7320 0.1141 0.130 Uiso 0.33 1 calc GR . P D 2
H27F H -0.0014 0.6103 0.0965 0.130 Uiso 0.33 1 calc GR . P D 2
C28B C -0.076(3) 0.822(3) 0.220(3) 0.070(9) Uiso 0.33 1 d . . P D 2
H28D H -0.0374 0.8491 0.1760 0.105 Uiso 0.33 1 calc GR . P D 2
H28E H -0.0949 0.8832 0.2606 0.105 Uiso 0.33 1 calc GR . P D 2
H28F H -0.1561 0.7721 0.1795 0.105 Uiso 0.33 1 calc GR . P D 2
C29B C -0.037(7) 0.771(6) 0.453(6) 0.18(3) Uiso 0.33 1 d . . P D 2
H29D H -0.0577 0.8445 0.4520 0.272 Uiso 0.33 1 calc GR . P D 2
H29E H 0.0240 0.7686 0.5194 0.272 Uiso 0.33 1 calc GR . P D 2
H29F H -0.1167 0.7203 0.4377 0.272 Uiso 0.33 1 calc GR . P D 2
C30B C 0.135(4) 0.620(3) 0.494(3) 0.082(8) Uiso 0.33 1 d . . P D 2
H30D H 0.2004 0.5726 0.5009 0.123 Uiso 0.33 1 calc GR . P D 2
H30E H 0.0557 0.5800 0.4944 0.123 Uiso 0.33 1 calc GR . P D 2
H30F H 0.1664 0.6829 0.5507 0.123 Uiso 0.33 1 calc GR . P D 2
C31B C 0.3439(13) 0.7951(11) 0.5337(10) 0.036(3) Uani 0.5 1 d . . P A 2
C32B C 0.368(2) 0.735(2) 0.322(2) 0.030(6) Uiso 0.25 1 d . . P B 2
C32D C 0.175(2) 0.9320(18) 0.4873(18) 0.027(4) Uiso 0.25 1 d . . P C 2
C21C C 0.145(2) 0.6463(17) 0.2815(18) 0.035(4) Uiso 0.33 1 d . . P D 3
C22C C 0.060(3) 0.718(2) 0.2501(18) 0.036(5) Uiso 0.33 1 d . . P D 3
C23C C 0.0043(17) 0.7483(17) 0.317(2) 0.032(4) Uiso 0.33 1 d . . P D 3
C24C C 0.057(3) 0.693(3) 0.398(2) 0.032(8) Uiso 0.33 1 d . . P D 3
C25C C 0.136(2) 0.6267(18) 0.376(2) 0.030(5) Uiso 0.33 1 d . . P D 3
C26C C 0.215(3) 0.592(2) 0.222(2) 0.072(7) Uiso 0.33 1 d . . P D 3
H26G H 0.2078 0.6269 0.1660 0.108 Uiso 0.33 1 calc GR . P D 3
H26H H 0.1775 0.5151 0.1972 0.108 Uiso 0.33 1 calc GR . P D 3
H26I H 0.3064 0.5983 0.2646 0.108 Uiso 0.33 1 calc GR . P D 3
C27C C 0.028(3) 0.754(3) 0.151(2) 0.073(7) Uiso 0.33 1 d . . P D 3
H27G H 0.0246 0.8323 0.1607 0.110 Uiso 0.33 1 calc GR . P D 3
H27H H -0.0556 0.7144 0.1033 0.110 Uiso 0.33 1 calc GR . P D 3
H27I H 0.0952 0.7385 0.1238 0.110 Uiso 0.33 1 calc GR . P D 3
C28C C -0.099(3) 0.817(3) 0.302(3) 0.084(9) Uiso 0.33 1 d . . P D 3
H28G H -0.0717 0.8839 0.2845 0.125 Uiso 0.33 1 calc GR . P D 3
H28H H -0.1169 0.8348 0.3632 0.125 Uiso 0.33 1 calc GR . P D 3
H28I H -0.1778 0.7771 0.2475 0.125 Uiso 0.33 1 calc GR . P D 3
C29C C 0.007(4) 0.689(3) 0.481(3) 0.083(8) Uiso 0.33 1 d . . P D 3
H29G H -0.0179 0.7592 0.4996 0.124 Uiso 0.33 1 calc GR . P D 3
H29H H 0.0753 0.6735 0.5383 0.124 Uiso 0.33 1 calc GR . P D 3
H29I H -0.0675 0.6316 0.4575 0.124 Uiso 0.33 1 calc GR . P D 3
C30C C 0.202(3) 0.543(2) 0.425(2) 0.067(7) Uiso 0.33 1 d . . P D 3
H30G H 0.1559 0.4709 0.3871 0.101 Uiso 0.33 1 calc GR . P D 3
H30H H 0.2019 0.5532 0.4930 0.101 Uiso 0.33 1 calc GR . P D 3
H30I H 0.2908 0.5505 0.4278 0.101 Uiso 0.33 1 calc GR . P D 3
C40 C -0.389(4) 0.573(4) 0.107(2) 0.20(2) Uiso 0.5 1 d D . P E -2
H40A H -0.4198 0.5716 0.0349 0.294 Uiso 0.5 1 calc R . P E -2
H40B H -0.4587 0.5380 0.1227 0.294 Uiso 0.5 1 calc R . P E -2
H40C H -0.3619 0.6479 0.1441 0.294 Uiso 0.5 1 calc R . P E -2
C41 C -0.277(2) 0.5118(19) 0.1338(14) 0.19(2) Uiso 0.5 1 d . . P E -2
C42 C -0.2167(19) 0.5022(16) 0.2320(13) 0.083(6) Uiso 0.5 1 d DG . P E -2
H42 H -0.2451 0.5359 0.2821 0.099 Uiso 0.5 1 calc R . P E -2
C43 C -0.115(2) 0.4432(19) 0.2569(14) 0.161(14) Uiso 0.5 1 d G . P E -2
H43 H -0.0736 0.4366 0.3241 0.193 Uiso 0.5 1 calc R . P E -2
C44 C -0.073(2) 0.394(2) 0.1836(19) 0.125(11) Uiso 0.5 1 d G . P E -2
H44 H -0.0036 0.3535 0.2007 0.149 Uiso 0.5 1 calc R . P E -2
C45 C -0.134(2) 0.403(2) 0.0854(17) 0.151(17) Uiso 0.5 1 d G . P E -2
H45 H -0.1051 0.3697 0.0353 0.182 Uiso 0.5 1 calc R . P E -2
C46 C -0.235(2) 0.462(2) 0.0604(12) 0.130(10) Uiso 0.5 1 d DG . P E -2
H46 H -0.2766 0.4690 -0.0067 0.157 Uiso 0.5 1 calc R . P E -2
C33 C -0.122(3) 0.387(2) 0.127(3) 0.094(7) Uiso 0.5 1 d . . P F -1
H33A H -0.0319 0.4214 0.1505 0.141 Uiso 0.5 1 calc GR . P F -1
H33B H -0.1572 0.3692 0.0534 0.141 Uiso 0.5 1 calc GR . P F -1
H33C H -0.1272 0.3204 0.1518 0.141 Uiso 0.5 1 calc GR . P F -1
C34 C -0.1975(10) 0.4623(8) 0.1621(7) 0.051(3) Uiso 0.5 1 d . . P F -1
C35 C -0.1789(10) 0.4795(8) 0.2628(7) 0.044(3) Uiso 0.5 1 d G . P F -1
H35 H -0.1201 0.4427 0.3055 0.053 Uiso 0.5 1 calc R . P F -1
C36 C -0.2464(11) 0.5507(9) 0.3009(7) 0.066(4) Uiso 0.5 1 d G . P F -1
H36 H -0.2337 0.5625 0.3697 0.079 Uiso 0.5 1 calc R . P F -1
C37 C -0.3325(12) 0.6046(10) 0.2383(9) 0.069(4) Uiso 0.5 1 d G . P F -1
H37 H -0.3786 0.6533 0.2644 0.083 Uiso 0.5 1 calc R . P F -1
C38 C -0.3511(13) 0.5874(11) 0.1377(9) 0.111(9) Uiso 0.5 1 d G . P F -1
H38 H -0.4099 0.6242 0.0949 0.133 Uiso 0.5 1 calc R . P F -1
C39 C -0.2836(12) 0.5162(11) 0.0996(6) 0.066(4) Uiso 0.5 1 d G . P F -1
H39 H -0.2963 0.5044 0.0308 0.080 Uiso 0.5 1 calc R . P F -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1A Yb1 C2A 125.8(4) 2_676 .
O1A Yb1 C4A 77.7(9) 2_676 .
O1A Yb1 C11A 123.6(5) 2_676 .
O1B Yb1 C1B 88.7(7) . .
O1B Yb1 C2B 71.8(5) . .
O1B Yb1 C3B 91.0(9) . .
O1B Yb1 C5B 119.3(6) . .
O1B Yb1 C11B 78.3(6) . .
O1B Yb1 C14B 106.9(5) . .
O1B Yb1 C15B 77.9(6) . .
C4A Yb1 C2A 51.3(9) . .
C11A Yb1 C2A 107.3(9) . .
C11A Yb1 C4A 136.2(15) . .
C1B Yb1 C2B 31.5(6) . .
C1B Yb1 C5B 31.1(5) . .
C1B Yb1 C14B 135.7(7) . .
C2B Yb1 C14B 114.4(12) . .
C3B Yb1 C1B 52.1(6) . .
C3B Yb1 C2B 31.2(6) . .
C3B Yb1 C5B 52.0(8) . .
C3B Yb1 C11B 127.8(8) . .
C3B Yb1 C14B 85.7(8) . .
C5B Yb1 C2B 51.6(6) . .
C5B Yb1 C14B 114.4(11) . .
C11B Yb1 C1B 167.0(9) . .
C11B Yb1 C2B 140.2(8) . .
C11B Yb1 C5B 161.7(9) . .
C11B Yb1 C14B 51.0(6) . .
C15B Yb1 C1B 146.4(10) . .
C15B Yb1 C2B 115.1(10) . .
C15B Yb1 C3B 96.9(8) . .
C15B Yb1 C5B 141.4(11) . .
C15B Yb1 C11B 30.9(4) . .
C15B Yb1 C14B 31.0(4) . .
C23A Mo1 C32C 68.4(8) . .
C31A Mo1 C23A 108.8(6) . .
C31A Mo1 C32A 87.9(9) . .
C31A Mo1 C32C 75.9(8) . .
C32A Mo1 C23A 140.0(8) . .
C32A Mo1 C32C 151.4(9) . .
C21B Mo1 C24B 59.6(11) . .
C21B Mo1 C32B 74.5(10) . .
C25B Mo1 C21B 36.4(10) . .
C25B Mo1 C24B 36.6(11) . .
C25B Mo1 C32B 106.3(12) . .
C31B Mo1 C21B 102.4(8) . .
C31B Mo1 C24B 104.2(9) . .
C31B Mo1 C25B 83.2(7) . .
C31B Mo1 C32B 93.2(8) . .
C31B Mo1 C32D 75.6(7) . .
C32B Mo1 C24B 133.3(10) . .
C32D Mo1 C21B 132.7(10) . .
C32D Mo1 C24B 74.9(9) . .
C32D Mo1 C25B 98.1(11) . .
C32D Mo1 C32B 151.8(8) . .
C21C Mo1 C22C 36.3(9) . .
P2 P1 Mo1 62.23(12) . .
P2 P1 P4 92.01(16) . .
P3 P1 Mo1 113.08(18) . .
P3 P1 P2 60.07(18) . .
P3 P1 P4 89.77(18) . .
P3 P1 P6 40.88(15) . .
P4 P1 Mo1 61.40(13) . .
P6 P1 Mo1 112.84(19) . .
P6 P1 P2 90.43(19) . .
P6 P1 P4 59.82(18) . .
O2C P1 Mo1 108.3(8) . .
O2C P1 P2 118.1(9) . .
O2C P1 P3 126.9(8) . .
O2C P1 P4 140.2(9) . .
O2C P1 P6 137.6(8) . .
O2D P1 Mo1 103.7(7) . .
O2D P1 P2 138.8(7) . .
O2D P1 P3 142.3(8) . .
O2D P1 P4 115.9(9) . .
O2D P1 P6 129.2(7) . .
C32C P1 Mo1 73.7(11) . .
C32C P1 P2 99.8(12) . .
C32C P1 P3 145.4(13) . .
C32C P1 P4 120.6(12) . .
C32C P1 P6 169.7(12) . .
C32C P1 O2C 34.6(13) . .
C32D P1 Mo1 70.8(10) . .
C32D P1 P2 119.5(11) . .
C32D P1 P3 173.1(11) . .
C32D P1 P4 97.2(11) . .
C32D P1 P6 144.1(12) . .
C32D P1 O2D 33.0(12) . .
Mo1 P2 Yb1 171.94(16) . 2_676
P1 P2 Yb1 124.90(16) . 2_676
P1 P2 Mo1 60.04(12) . .
P1 P2 P5 88.12(18) . .
P3 P2 Yb1 80.78(14) . 2_676
P3 P2 Mo1 106.79(15) . .
P3 P2 P1 54.80(15) . .
P3 P2 P5 88.16(17) . .
P3 P2 P6 45.93(16) . 2_676
P5 P2 Yb1 124.63(16) . 2_676
P5 P2 Mo1 59.51(12) . .
P6 P2 Yb1 80.82(14) 2_676 2_676
P6 P2 Mo1 106.36(15) 2_676 .
P6 P2 P1 87.94(18) 2_676 .
P6 P2 P5 54.75(16) 2_676 .
O1A P2 Yb1 52.2(4) . 2_676
O1A P2 Mo1 119.7(4) . .
O1A P2 P1 132.6(4) . .
O1A P2 P3 127.4(4) . .
O1A P2 P5 135.5(4) . .
O1A P2 P6 129.1(4) . 2_676
C31A P2 Yb1 108.2(8) . 2_676
C31A P2 Mo1 63.7(8) . .
C31A P2 P1 104.4(8) . .
C31A P2 P3 156.6(9) . .
C31A P2 P5 103.0(8) . .
C31A P2 P6 154.8(9) . 2_676
C31A P2 O1A 56.1(9) . .
P1 P3 Yb1 115.19(17) . 2_676
P1 P3 P2 65.12(16) . .
P1 P3 P3 93.3(2) . 2_676
P1 P3 P4 174.7(2) . 2_676
P1 P3 P5 120.1(3) . 2_676
P2 P3 Yb1 59.13(12) . 2_676
P2 P3 P3 89.4(2) . 2_676
P2 P3 P4 110.0(2) . 2_676
P3 P3 Yb1 115.6(3) 2_676 2_676
P4 P3 Yb1 59.59(11) 2_676 2_676
P4 P3 P3 88.7(2) 2_676 2_676
P5 P3 Yb1 115.56(18) 2_676 2_676
P5 P3 P2 174.5(2) 2_676 .
P5 P3 P3 92.0(2) 2_676 2_676
P5 P3 P4 64.68(16) 2_676 2_676
P6 P3 Yb1 75.32(18) 2_676 2_676
P6 P3 Yb1 165.1(3) . 2_676
P6 P3 P1 110.8(2) 2_676 .
P6 P3 P1 70.7(3) . .
P6 P3 P2 116.2(2) . .
P6 P3 P2 67.09(19) 2_676 .
P6 P3 P3 40.30(18) 2_676 2_676
P6 P3 P3 49.5(2) . 2_676
P6 P3 P4 67.8(2) 2_676 2_676
P6 P3 P4 114.1(2) . 2_676
P6 P3 P5 68.5(2) . 2_676
P6 P3 P5 110.9(2) 2_676 2_676
P6 P3 P6 89.8(3) . 2_676
Mo1 P4 Yb1 171.57(17) . .
P1 P4 Yb1 124.32(15) . .
P1 P4 Mo1 59.79(11) . .
P3 P4 Yb1 80.33(13) 2_676 .
P3 P4 Mo1 107.70(15) 2_676 .
P3 P4 P1 87.90(17) 2_676 .
P3 P4 P5 55.75(16) 2_676 .
P3 P4 P6 45.65(17) 2_676 .
P5 P4 Yb1 125.64(16) . .
P5 P4 Mo1 59.81(11) . .
P5 P4 P1 87.53(17) . .
P6 P4 Yb1 80.07(14) . .
P6 P4 Mo1 107.28(15) . .
P6 P4 P1 54.94(16) . .
P6 P4 P5 88.43(19) . .
O1B P4 Yb1 51.7(4) . .
O1B P4 Mo1 119.8(4) . .
O1B P4 P1 132.6(4) . .
O1B P4 P3 128.2(4) . 2_676
O1B P4 P5 136.2(4) . .
O1B P4 P6 126.3(4) . .
C31B P4 Yb1 109.8(9) . .
C31B P4 Mo1 61.8(9) . .
C31B P4 P1 100.7(9) . .
C31B P4 P3 158.5(9) . 2_676
C31B P4 P5 104.5(9) . .
C31B P4 P6 152.4(9) . .
C31B P4 O1B 58.1(10) . .
P2 P5 Mo1 62.20(12) . .
P3 P5 Mo1 112.79(19) 2_676 .
P3 P5 P2 90.02(18) 2_676 .
P3 P5 P4 59.57(18) 2_676 .
P4 P5 Mo1 61.97(13) . .
P4 P5 P2 92.33(16) . .
P6 P5 Mo1 112.91(19) 2_676 .
P6 P5 P2 59.79(18) 2_676 .
P6 P5 P3 40.76(15) 2_676 2_676
P6 P5 P4 89.71(19) 2_676 .
P6 P5 O2B 132.1(6) 2_676 .
O2A P5 Mo1 99.5(6) . .
O2A P5 P2 129.6(6) . .
O2A P5 P3 138.2(6) . 2_676
O2A P5 P4 121.4(7) . .
O2A P5 P6 143.5(6) . 2_676
O2B P5 Mo1 102.3(6) . .
O2B P5 P2 116.8(6) . .
O2B P5 P3 143.3(6) . 2_676
O2B P5 P4 136.5(7) . .
C32A P5 Mo1 67.0(10) . .
C32A P5 P2 110.6(11) . .
C32A P5 P3 154.1(13) . 2_676
C32A P5 P4 102.6(12) . .
C32A P5 P6 165.1(13) . 2_676
C32A P5 O2A 32.5(11) . .
C32B P5 Mo1 71.7(11) . .
C32B P5 P2 98.5(12) . .
C32B P5 P3 171.4(12) . 2_676
C32B P5 P4 119.7(13) . .
C32B P5 P6 145.5(13) . 2_676
C32B P5 O2B 30.7(12) . .
P1 P6 Yb1 115.46(19) . .
P1 P6 P2 174.2(3) . 2_676
P1 P6 P4 65.24(18) . .
P1 P6 P6 91.7(2) . 2_676
P2 P6 Yb1 59.09(12) 2_676 .
P2 P6 P4 109.2(2) 2_676 .
P2 P6 P6 89.4(3) 2_676 2_676
P3 P6 Yb1 75.19(18) 2_676 .
P3 P6 Yb1 165.3(3) . .
P3 P6 P1 68.4(2) . .
P3 P6 P1 110.6(2) 2_676 .
P3 P6 P2 66.98(19) 2_676 2_676
P3 P6 P2 116.3(3) . 2_676
P3 P6 P3 90.2(3) . 2_676
P3 P6 P4 114.0(3) . .
P3 P6 P4 66.52(19) 2_676 .
P3 P6 P5 70.8(2) . 2_676
P3 P6 P5 111.4(2) 2_676 2_676
P3 P6 P6 40.45(19) 2_676 2_676
P3 P6 P6 49.7(2) . 2_676
P4 P6 Yb1 59.45(12) . .
P4 P6 P6 87.7(2) . 2_676
P5 P6 Yb1 115.20(18) 2_676 .
P5 P6 P1 120.1(3) 2_676 .
P5 P6 P2 65.46(17) 2_676 2_676
P5 P6 P4 174.4(3) 2_676 .
P5 P6 P6 93.7(2) 2_676 2_676
P6 P6 Yb1 115.6(3) 2_676 .
P2 O1A Yb1 99.2(5) . 2_676
C31A O1A Yb1 136.8(9) . 2_676
C31A O1A P2 37.7(7) . .
C32A O2A P5 41.5(14) . .
C32C O2C P1 38.5(15) . .
P4 O1B Yb1 100.8(5) . .
C31B O1B Yb1 139.4(10) . .
C31B O1B P4 38.6(7) . .
C32B O2B P5 38.6(14) . .
C32D O2D P1 39.4(15) . .
C2A C1A Yb1 73.7(10) . .
C2A C1A C6A 124(5) . .
C5A C1A Yb1 75.0(10) . .
C5A C1A C2A 107.4(19) . .
C5A C1A C6A 128(5) . .
C6A C1A Yb1 125.1(11) . .
C1A C2A Yb1 75.2(10) . .
C1A C2A C3A 109(2) . .
C1A C2A C7A 124(5) . .
C3A C2A Yb1 75.4(12) . .
C3A C2A C7A 127(5) . .
C7A C2A Yb1 121.2(11) . .
C2A C3A Yb1 73.5(12) . .
C2A C3A C4A 107(2) . .
C2A C3A C8A 126(5) . .
C4A C3A Yb1 73.3(14) . .
C4A C3A C8A 125(5) . .
C8A C3A Yb1 130.2(15) . .
C3A C4A Yb1 75.6(15) . .
C3A C4A C9A 127(5) . .
C5A C4A Yb1 75.9(14) . .
C5A C4A C3A 109(3) . .
C5A C4A C9A 124(4) . .
C9A C4A Yb1 121.1(16) . .
C1A C5A Yb1 74.2(9) . .
C1A C5A C10A 125(5) . .
C4A C5A Yb1 73.2(14) . .
C4A C5A C1A 108(2) . .
C4A C5A C10A 126(5) . .
C10A C5A Yb1 125.0(11) . .
C1A C6A H6AA 109.5 . .
C1A C6A H6AB 109.5 . .
C1A C6A H6AC 109.5 . .
H6AA C6A H6AB 109.5 . .
H6AA C6A H6AC 109.5 . .
H6AB C6A H6AC 109.5 . .
C2A C7A H7AA 109.5 . .
C2A C7A H7AB 109.5 . .
C2A C7A H7AC 109.5 . .
H7AA C7A H7AB 109.5 . .
H7AA C7A H7AC 109.5 . .
H7AB C7A H7AC 109.5 . .
C3A C8A H8AA 109.5 . .
C3A C8A H8AB 109.5 . .
C3A C8A H8AC 109.5 . .
H8AA C8A H8AB 109.5 . .
H8AA C8A H8AC 109.5 . .
H8AB C8A H8AC 109.5 . .
C4A C9A H9AA 109.5 . .
C4A C9A H9AB 109.5 . .
C4A C9A H9AC 109.5 . .
H9AA C9A H9AB 109.5 . .
H9AA C9A H9AC 109.5 . .
H9AB C9A H9AC 109.5 . .
C5A C10A H10A 109.5 . .
C5A C10A H10B 109.5 . .
C5A C10A H10C 109.5 . .
H10A C10A H10B 109.5 . .
H10A C10A H10C 109.5 . .
H10B C10A H10C 109.5 . .
C12A C11A Yb1 75.2(14) . .
C15A C11A Yb1 75.5(12) . .
C15A C11A C12A 107.9(17) . .
C15A C11A C16A 128(2) . .
C16A C11A Yb1 121.7(15) . .
C16A C11A C12A 124(3) . .
C11A C12A Yb1 71.6(14) . .
C13A C12A Yb1 73.6(15) . .
C13A C12A C11A 103(2) . .
C13A C12A C17A 128(3) . .
C17A C12A Yb1 126(2) . .
C17A C12A C11A 128(3) . .
C12A C13A Yb1 74.9(15) . .
C12A C13A C18A 121(3) . .
C14A C13A Yb1 74.3(12) . .
C14A C13A C12A 112(2) . .
C14A C13A C18A 126(2) . .
C18A C13A Yb1 124.4(14) . .
C13A C14A Yb1 75.9(11) . .
C13A C14A C15A 108.5(17) . .
C13A C14A C19A 125(2) . .
C15A C14A Yb1 74.6(13) . .
C15A C14A C19A 125(2) . .
C19A C14A Yb1 126.6(13) . .
C11A C15A Yb1 73.6(11) . .
C11A C15A C14A 108.6(17) . .
C11A C15A C20A 121(2) . .
C14A C15A Yb1 73.8(12) . .
C14A C15A C20A 129(2) . .
C20A C15A Yb1 128.1(15) . .
C11A C16A H16A 109.5 . .
C11A C16A H16B 109.5 . .
C11A C16A H16C 109.5 . .
H16A C16A H16B 109.5 . .
H16A C16A H16C 109.5 . .
H16B C16A H16C 109.5 . .
C12A C17A H17A 109.5 . .
C12A C17A H17B 109.5 . .
C12A C17A H17C 109.5 . .
H17A C17A H17B 109.5 . .
H17A C17A H17C 109.5 . .
H17B C17A H17C 109.5 . .
C13A C18A H18A 109.5 . .
C13A C18A H18B 109.5 . .
C13A C18A H18C 109.5 . .
H18A C18A H18B 109.5 . .
H18A C18A H18C 109.5 . .
H18B C18A H18C 109.5 . .
C14A C19A H19A 109.5 . .
C14A C19A H19B 109.5 . .
C14A C19A H19C 109.5 . .
H19A C19A H19B 109.5 . .
H19A C19A H19C 109.5 . .
H19B C19A H19C 109.5 . .
C15A C20A H20A 109.5 . .
C15A C20A H20B 109.5 . .
C15A C20A H20C 109.5 . .
H20A C20A H20B 109.5 . .
H20A C20A H20C 109.5 . .
H20B C20A H20C 109.5 . .
C22A C21A Mo1 71.6(15) . .
C22A C21A C25A 108(3) . .
C22A C21A C26A 121(3) . .
C25A C21A Mo1 72.2(14) . .
C25A C21A C26A 130(3) . .
C26A C21A Mo1 126.0(18) . .
C21A C22A Mo1 76.2(16) . .
C21A C22A C23A 115(2) . .
C21A C22A C27A 128(3) . .
C23A C22A Mo1 69.7(11) . .
C23A C22A C27A 117(3) . .
C27A C22A Mo1 119.3(15) . .
C22A C23A Mo1 74.5(13) . .
C22A C23A C24A 103(2) . .
C22A C23A C28A 136(2) . .
C24A C23A Mo1 75.2(13) . .
C28A C23A Mo1 124.2(13) . .
C28A C23A C24A 119.6(19) . .
C23A C24A Mo1 67.8(12) . .
C25A C24A Mo1 71.7(13) . .
C25A C24A C23A 104(2) . .
C29A C24A Mo1 126.2(17) . .
C29A C24A C23A 130(3) . .
C29A C24A C25A 126(3) . .
C21A C25A Mo1 74.0(14) . .
C21A C25A C24A 109(2) . .
C21A C25A C30A 122(3) . .
C24A C25A Mo1 72.1(13) . .
C24A C25A C30A 128(3) . .
C30A C25A Mo1 129.7(17) . .
C21A C26A H26A 109.5 . .
C21A C26A H26B 109.5 . .
C21A C26A H26C 109.5 . .
H26A C26A H26B 109.5 . .
H26A C26A H26C 109.5 . .
H26B C26A H26C 109.5 . .
C22A C27A H27A 109.5 . .
C22A C27A H27B 109.5 . .
C22A C27A H27C 109.5 . .
H27A C27A H27B 109.5 . .
H27A C27A H27C 109.5 . .
H27B C27A H27C 109.5 . .
C23A C28A H28A 109.5 . .
C23A C28A H28B 109.5 . .
C23A C28A H28C 109.5 . .
H28A C28A H28B 109.5 . .
H28A C28A H28C 109.5 . .
H28B C28A H28C 109.5 . .
C24A C29A H29A 109.5 . .
C24A C29A H29B 109.5 . .
C24A C29A H29C 109.5 . .
H29A C29A H29B 109.5 . .
H29A C29A H29C 109.5 . .
H29B C29A H29C 109.5 . .
C25A C30A H30A 109.5 . .
C25A C30A H30B 109.5 . .
C25A C30A H30C 109.5 . .
H30A C30A H30B 109.5 . .
H30A C30A H30C 109.5 . .
H30B C30A H30C 109.5 . .
P2 C31A Mo1 95.2(9) . .
P2 C31A O1A 86.2(11) . .
O1A C31A Mo1 177.1(10) . .
P5 C32A Mo1 77.3(11) . .
O2A C32A Mo1 176(2) . .
O2A C32A P5 106(2) . .
P1 C32C Mo1 75.6(11) . .
O2C C32C Mo1 176(2) . .
O2C C32C P1 107(2) . .
C2B C1B Yb1 74.3(9) . .
C2B C1B C6B 125(3) . .
C5B C1B Yb1 74.5(12) . .
C5B C1B C2B 107.4(19) . .
C5B C1B C6B 127(4) . .
C6B C1B Yb1 125.9(12) . .
C1B C2B Yb1 74.2(9) . .
C1B C2B C7B 126(4) . .
C3B C2B Yb1 74.3(9) . .
C3B C2B C1B 108.7(17) . .
C3B C2B C7B 124(3) . .
C7B C2B Yb1 124.2(9) . .
C2B C3B Yb1 74.5(9) . .
C2B C3B C4B 108(2) . .
C2B C3B C8B 125(3) . .
C4B C3B Yb1 74.8(13) . .
C4B C3B C8B 126(3) . .
C8B C3B Yb1 127.3(12) . .
C3B C4B Yb1 73.5(13) . .
C3B C4B C9B 129(4) . .
C5B C4B Yb1 73.7(14) . .
C5B C4B C3B 107(3) . .
C5B C4B C9B 122(4) . .
C9B C4B Yb1 128.4(18) . .
C1B C5B Yb1 74.4(12) . .
C1B C5B C4B 109(2) . .
C1B C5B C10B 125(4) . .
C4B C5B Yb1 74.9(14) . .
C4B C5B C10B 125(4) . .
C10B C5B Yb1 122.3(12) . .
C1B C6B H6BA 109.5 . .
C1B C6B H6BB 109.5 . .
C1B C6B H6BC 109.5 . .
H6BA C6B H6BB 109.5 . .
H6BA C6B H6BC 109.5 . .
H6BB C6B H6BC 109.5 . .
C2B C7B H7BA 109.5 . .
C2B C7B H7BB 109.5 . .
C2B C7B H7BC 109.5 . .
H7BA C7B H7BB 109.5 . .
H7BA C7B H7BC 109.5 . .
H7BB C7B H7BC 109.5 . .
C3B C8B H8BA 109.5 . .
C3B C8B H8BB 109.5 . .
C3B C8B H8BC 109.5 . .
H8BA C8B H8BB 109.5 . .
H8BA C8B H8BC 109.5 . .
H8BB C8B H8BC 109.5 . .
C4B C9B H9BA 109.5 . .
C4B C9B H9BB 109.5 . .
C4B C9B H9BC 109.5 . .
H9BA C9B H9BB 109.5 . .
H9BA C9B H9BC 109.5 . .
H9BB C9B H9BC 109.5 . .
C5B C10B H10D 109.5 . .
C5B C10B H10E 109.5 . .
C5B C10B H10F 109.5 . .
H10D C10B H10E 109.5 . .
H10D C10B H10F 109.5 . .
H10E C10B H10F 109.5 . .
C12B C11B Yb1 75.5(9) . .
C12B C11B C16B 123(2) . .
C15B C11B Yb1 74.0(9) . .
C15B C11B C12B 108.0 . .
C15B C11B C16B 128(2) . .
C16B C11B Yb1 125.1(17) . .
C11B C12B Yb1 73.7(10) . .
C11B C12B C17B 127.6(19) . .
C13B C12B Yb1 74.7(10) . .
C13B C12B C11B 108.0 . .
C13B C12B C17B 123.5(19) . .
C17B C12B Yb1 126.0(13) . .
C12B C13B Yb1 74.7(10) . .
C12B C13B C18B 126.5(19) . .
C14B C13B Yb1 73.8(9) . .
C14B C13B C12B 108.0 . .
C14B C13B C18B 125.2(19) . .
C18B C13B Yb1 122.0(11) . .
C13B C14B Yb1 75.5(9) . .
C13B C14B C15B 108.0 . .
C13B C14B C19B 127.5(18) . .
C15B C14B Yb1 73.9(11) . .
C15B C14B C19B 122.4(19) . .
C19B C14B Yb1 129.8(14) . .
C11B C15B Yb1 75.0(10) . .
C11B C15B C14B 108.0 . .
C11B C15B C20B 123(2) . .
C14B C15B Yb1 75.1(10) . .
C14B C15B C20B 129(2) . .
C20B C15B Yb1 116.8(17) . .
C11B C16B H16D 109.5 . .
C11B C16B H16E 109.5 . .
C11B C16B H16F 109.5 . .
H16D C16B H16E 109.5 . .
H16D C16B H16F 109.5 . .
H16E C16B H16F 109.5 . .
C12B C17B H17D 109.5 . .
C12B C17B H17E 109.5 . .
C12B C17B H17F 109.5 . .
H17D C17B H17E 109.5 . .
H17D C17B H17F 109.5 . .
H17E C17B H17F 109.5 . .
C13B C18B H18D 109.5 . .
C13B C18B H18E 109.5 . .
C13B C18B H18F 109.5 . .
H18D C18B H18E 109.5 . .
H18D C18B H18F 109.5 . .
H18E C18B H18F 109.5 . .
C14B C19B H19D 109.5 . .
C14B C19B H19E 109.5 . .
C14B C19B H19F 109.5 . .
H19D C19B H19E 109.5 . .
H19D C19B H19F 109.5 . .
H19E C19B H19F 109.5 . .
C15B C20B H20D 109.5 . .
C15B C20B H20E 109.5 . .
C15B C20B H20F 109.5 . .
H20D C20B H20E 109.5 . .
H20D C20B H20F 109.5 . .
H20E C20B H20F 109.5 . .
C22B C21B Mo1 75.0(15) . .
C22B C21B C26B 125(4) . .
C25B C21B Mo1 71.1(12) . .
C25B C21B C22B 109(2) . .
C25B C21B C26B 126(3) . .
C26B C21B Mo1 122(3) . .
C21B C22B Mo1 69.2(13) . .
C21B C22B C23B 110(2) . .
C21B C22B C27B 128(3) . .
C23B C22B Mo1 70.7(14) . .
C27B C22B Mo1 132(2) . .
C27B C22B C23B 122(3) . .
C22B C23B Mo1 71.4(14) . .
C24B C23B Mo1 70.6(14) . .
C24B C23B C22B 100(3) . .
C28B C23B Mo1 136(2) . .
C28B C23B C22B 122(3) . .
C28B C23B C24B 134(3) . .
C23B C24B Mo1 73.4(14) . .
C23B C24B C29B 134(4) . .
C25B C24B Mo1 69.9(12) . .
C25B C24B C23B 114(2) . .
C25B C24B C29B 112(4) . .
C29B C24B Mo1 125(3) . .
C21B C25B Mo1 72.5(13) . .
C21B C25B C24B 106.0(19) . .
C21B C25B C30B 131(3) . .
C24B C25B Mo1 73.5(13) . .
C24B C25B C30B 123(3) . .
C30B C25B Mo1 121.8(19) . .
C21B C26B H26D 109.5 . .
C21B C26B H26E 109.5 . .
C21B C26B H26F 109.5 . .
H26D C26B H26E 109.5 . .
H26D C26B H26F 109.5 . .
H26E C26B H26F 109.5 . .
C22B C27B H27D 109.5 . .
C22B C27B H27E 109.5 . .
C22B C27B H27F 109.5 . .
H27D C27B H27E 109.5 . .
H27D C27B H27F 109.5 . .
H27E C27B H27F 109.5 . .
C23B C28B H28D 109.5 . .
C23B C28B H28E 109.5 . .
C23B C28B H28F 109.5 . .
H28D C28B H28E 109.5 . .
H28D C28B H28F 109.5 . .
H28E C28B H28F 109.5 . .
C24B C29B H29D 109.5 . .
C24B C29B H29E 109.5 . .
C24B C29B H29F 109.5 . .
H29D C29B H29E 109.5 . .
H29D C29B H29F 109.5 . .
H29E C29B H29F 109.5 . .
C25B C30B H30D 109.5 . .
C25B C30B H30E 109.5 . .
C25B C30B H30F 109.5 . .
H30D C30B H30E 109.5 . .
H30D C30B H30F 109.5 . .
H30E C30B H30F 109.5 . .
P4 C31B Mo1 97.1(10) . .
P4 C31B O1B 83.3(12) . .
O1B C31B Mo1 179.0(11) . .
P5 C32B Mo1 73.6(11) . .
O2B C32B Mo1 172(2) . .
O2B C32B P5 111(2) . .
P1 C32D Mo1 76.6(10) . .
O2D C32D Mo1 174(2) . .
O2D C32D P1 108(2) . .
C22C C21C Mo1 73.5(12) . .
C22C C21C C25C 106(2) . .
C22C C21C C26C 125(3) . .
C25C C21C Mo1 75.0(12) . .
C25C C21C C26C 129(2) . .
C26C C21C Mo1 122.5(17) . .
C21C C22C Mo1 70.2(12) . .
C21C C22C C27C 124(3) . .
C23C C22C Mo1 76.2(13) . .
C23C C22C C21C 111(2) . .
C23C C22C C27C 125(3) . .
C27C C22C Mo1 122.8(17) . .
C22C C23C Mo1 69.5(12) . .
C22C C23C C24C 107(2) . .
C22C C23C C28C 124(3) . .
C24C C23C Mo1 71.4(12) . .
C24C C23C C28C 129(3) . .
C28C C23C Mo1 128.5(18) . .
C23C C24C Mo1 72.3(14) . .
C23C C24C C29C 125(3) . .
C25C C24C Mo1 73.0(14) . .
C25C C24C C23C 109(2) . .
C25C C24C C29C 125(4) . .
C29C C24C Mo1 132(2) . .
C21C C25C Mo1 66.9(11) . .
C24C C25C Mo1 73.2(15) . .
C24C C25C C21C 107(2) . .
C24C C25C C30C 132(3) . .
C30C C25C Mo1 126.8(17) . .
C30C C25C C21C 121(2) . .
C21C C26C H26G 109.5 . .
C21C C26C H26H 109.5 . .
C21C C26C H26I 109.5 . .
H26G C26C H26H 109.5 . .
H26G C26C H26I 109.5 . .
H26H C26C H26I 109.5 . .
C22C C27C H27G 109.5 . .
C22C C27C H27H 109.5 . .
C22C C27C H27I 109.5 . .
H27G C27C H27H 109.5 . .
H27G C27C H27I 109.5 . .
H27H C27C H27I 109.5 . .
C23C C28C H28G 109.5 . .
C23C C28C H28H 109.5 . .
C23C C28C H28I 109.5 . .
H28G C28C H28H 109.5 . .
H28G C28C H28I 109.5 . .
H28H C28C H28I 109.5 . .
C24C C29C H29G 109.5 . .
C24C C29C H29H 109.5 . .
C24C C29C H29I 109.5 . .
H29G C29C H29H 109.5 . .
H29G C29C H29I 109.5 . .
H29H C29C H29I 109.5 . .
C25C C30C H30G 109.5 . .
C25C C30C H30H 109.5 . .
C25C C30C H30I 109.5 . .
H30G C30C H30H 109.5 . .
H30G C30C H30I 109.5 . .
H30H C30C H30I 109.5 . .
H40A C40 H40B 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C41 C40 H40A 109.5 . .
C41 C40 H40B 109.5 . .
C41 C40 H40C 109.5 . .
C42 C41 C40 120.0(3) . .
C42 C41 C46 120.0 . .
C46 C41 C40 120.0(3) . .
C41 C42 H42 120.0 . .
C43 C42 C41 120.0 . .
C43 C42 H42 120.0 . .
C42 C43 H43 120.0 . .
C42 C43 C44 120.0 . .
C44 C43 H43 120.0 . .
C43 C44 H44 120.0 . .
C45 C44 C43 120.0 . .
C45 C44 H44 120.0 . .
C44 C45 H45 120.0 . .
C44 C45 C46 120.0 . .
C46 C45 H45 120.0 . .
C41 C46 H46 120.0 . .
C45 C46 C41 120.0 . .
C45 C46 H46 120.0 . .
H33A C33 H33B 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C34 C33 H33A 109.5 . .
C34 C33 H33B 109.5 . .
C34 C33 H33C 109.5 . .
C35 C34 C33 117.5(15) . .
C35 C34 C39 120.0 . .
C39 C34 C33 122.5(15) . .
C34 C35 H35 120.0 . .
C34 C35 C36 120.0 . .
C36 C35 H35 120.0 . .
C35 C36 H36 120.0 . .
C37 C36 C35 120.0 . .
C37 C36 H36 120.0 . .
C36 C37 H37 120.0 . .
C36 C37 C38 120.0 . .
C38 C37 H37 120.0 . .
C37 C38 H38 120.0 . .
C39 C38 C37 120.0 . .
C39 C38 H38 120.0 . .
C34 C39 H39 120.0 . .
C38 C39 C34 120.0 . .
C38 C39 H39 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O1A 2.306(8) 2_676
Yb1 O1B 2.315(8) .
Yb1 C2A 2.613(15) .
Yb1 C4A 2.61(3) .
Yb1 C11A 2.61(2) .
Yb1 C1B 2.610(17) .
Yb1 C2B 2.610(13) .
Yb1 C3B 2.608(16) .
Yb1 C5B 2.61(2) .
Yb1 C11B 2.61(3) .
Yb1 C14B 2.61(2) .
Yb1 C15B 2.60(3) .
Mo1 C23A 2.276(17) .
Mo1 C31A 2.130(12) .
Mo1 C32A 2.17(2) .
Mo1 C32C 2.30(2) .
Mo1 C21B 2.27(2) .
Mo1 C24B 2.30(2) .
Mo1 C25B 2.25(2) .
Mo1 C31B 2.090(13) .
Mo1 C32B 2.28(3) .
Mo1 C32D 2.25(2) .
Mo1 C21C 2.210(19) .
Mo1 C22C 2.25(2) .
P1 P2 2.261(5) .
P1 P3 2.036(5) .
P1 P4 2.293(5) .
P1 P6 2.067(5) .
P1 O2C 1.88(2) .
P1 O2D 1.93(2) .
P1 C32C 1.22(2) .
P1 C32D 1.28(2) .
P2 Yb1 2.879(3) 2_676
P2 P3 2.160(5) .
P2 P5 2.275(5) .
P2 P6 2.161(5) 2_676
P2 O1A 1.396(9) .
P2 C31A 0.856(12) .
P3 Yb1 3.311(4) 2_676
P3 P3 2.216(6) 2_676
P3 P4 2.162(5) 2_676
P3 P5 2.073(5) 2_676
P3 P6 1.686(6) 2_676
P3 P6 1.433(5) .
P4 P3 2.162(5) 2_676
P4 P5 2.267(5) .
P4 P6 2.183(5) .
P4 O1B 1.360(9) .
P4 C31B 0.855(13) .
P5 P3 2.073(5) 2_676
P5 P6 2.043(5) 2_676
P5 O2A 2.000(19) .
P5 O2B 2.050(19) .
P5 C32A 1.38(2) .
P5 C32B 1.37(2) .
P6 P2 2.161(5) 2_676
P6 P3 1.686(6) 2_676
P6 P5 2.043(5) 2_676
P6 P6 2.210(8) 2_676
O1A Yb1 2.306(8) 2_676
O1A C31A 1.161(14) .
O2A C32A 1.12(3) .
O2C C32C 1.11(3) .
O1B C31B 1.162(15) .
O2B C32B 1.12(3) .
O2D C32D 1.10(3) .
C1A C2A 1.41(3) .
C1A C5A 1.40(3) .
C1A C6A 1.53(2) .
C2A C3A 1.41(3) .
C2A C7A 1.51(2) .
C3A C4A 1.41(5) .
C3A C8A 1.48(3) .
C4A C5A 1.40(3) .
C4A C9A 1.51(4) .
C5A C10A 1.53(3) .
C6A H6AA 0.9800 .
C6A H6AB 0.9800 .
C6A H6AC 0.9800 .
C7A H7AA 0.9800 .
C7A H7AB 0.9800 .
C7A H7AC 0.9800 .
C8A H8AA 0.9800 .
C8A H8AB 0.9800 .
C8A H8AC 0.9800 .
C9A H9AA 0.9800 .
C9A H9AB 0.9800 .
C9A H9AC 0.9800 .
C10A H10A 0.9800 .
C10A H10B 0.9800 .
C10A H10C 0.9800 .
C11A C12A 1.51(4) .
C11A C15A 1.39(3) .
C11A C16A 1.49(3) .
C12A C13A 1.44(4) .
C12A C17A 1.45(4) .
C13A C14A 1.35(3) .
C13A C18A 1.51(3) .
C14A C15A 1.43(3) .
C14A C19A 1.51(2) .
C15A C20A 1.49(3) .
C16A H16A 0.9800 .
C16A H16B 0.9800 .
C16A H16C 0.9800 .
C17A H17A 0.9800 .
C17A H17B 0.9800 .
C17A H17C 0.9800 .
C18A H18A 0.9800 .
C18A H18B 0.9800 .
C18A H18C 0.9800 .
C19A H19A 0.9800 .
C19A H19B 0.9800 .
C19A H19C 0.9800 .
C20A H20A 0.9800 .
C20A H20B 0.9800 .
C20A H20C 0.9800 .
C21A C22A 1.31(5) .
C21A C25A 1.38(4) .
C21A C26A 1.53(4) .
C22A C23A 1.42(3) .
C22A C27A 1.62(3) .
C23A C24A 1.48(4) .
C23A C28A 1.46(2) .
C24A C25A 1.47(4) .
C24A C29A 1.44(3) .
C25A C30A 1.52(3) .
C26A H26A 0.9800 .
C26A H26B 0.9800 .
C26A H26C 0.9800 .
C27A H27A 0.9800 .
C27A H27B 0.9800 .
C27A H27C 0.9800 .
C28A H28A 0.9800 .
C28A H28B 0.9800 .
C28A H28C 0.9800 .
C29A H29A 0.9800 .
C29A H29B 0.9800 .
C29A H29C 0.9800 .
C30A H30A 0.9800 .
C30A H30B 0.9800 .
C30A H30C 0.9800 .
C1B C2B 1.42(3) .
C1B C5B 1.40(2) .
C1B C6B 1.52(2) .
C2B C3B 1.40(3) .
C2B C7B 1.52(2) .
C3B C4B 1.43(3) .
C3B C8B 1.51(2) .
C4B C5B 1.42(4) .
C4B C9B 1.50(4) .
C5B C10B 1.52(3) .
C6B H6BA 0.9800 .
C6B H6BB 0.9800 .
C6B H6BC 0.9800 .
C7B H7BA 0.9800 .
C7B H7BB 0.9800 .
C7B H7BC 0.9800 .
C8B H8BA 0.9800 .
C8B H8BB 0.9800 .
C8B H8BC 0.9800 .
C9B H9BA 0.9800 .
C9B H9BB 0.9800 .
C9B H9BC 0.9800 .
C10B H10D 0.9800 .
C10B H10E 0.9800 .
C10B H10F 0.9800 .
C11B C12B 1.390(14) .
C11B C15B 1.388(14) .
C11B C16B 1.56(3) .
C12B C13B 1.390(14) .
C12B C17B 1.51(2) .
C13B C14B 1.389(14) .
C13B C18B 1.50(2) .
C14B C15B 1.390(14) .
C14B C19B 1.52(3) .
C15B C20B 1.55(3) .
C16B H16D 0.9800 .
C16B H16E 0.9800 .
C16B H16F 0.9800 .
C17B H17D 0.9800 .
C17B H17E 0.9800 .
C17B H17F 0.9800 .
C18B H18D 0.9800 .
C18B H18E 0.9800 .
C18B H18F 0.9800 .
C19B H19D 0.9800 .
C19B H19E 0.9800 .
C19B H19F 0.9800 .
C20B H20D 0.9800 .
C20B H20E 0.9800 .
C20B H20F 0.9800 .
C21B C22B 1.42(4) .
C21B C25B 1.41(4) .
C21B C26B 1.56(6) .
C22B C23B 1.53(4) .
C22B C27B 1.49(5) .
C23B C24B 1.43(4) .
C23B C28B 1.40(4) .
C24B C25B 1.43(4) .
C24B C29B 1.54(7) .
C25B C30B 1.47(4) .
C26B H26D 0.9800 .
C26B H26E 0.9800 .
C26B H26F 0.9800 .
C27B H27D 0.9800 .
C27B H27E 0.9800 .
C27B H27F 0.9800 .
C28B H28D 0.9800 .
C28B H28E 0.9800 .
C28B H28F 0.9800 .
C29B H29D 0.9800 .
C29B H29E 0.9800 .
C29B H29F 0.9800 .
C30B H30D 0.9800 .
C30B H30E 0.9800 .
C30B H30F 0.9800 .
C21C C22C 1.39(3) .
C21C C25C 1.48(3) .
C21C C26C 1.48(4) .
C22C C23C 1.36(4) .
C22C C27C 1.53(4) .
C23C C24C 1.45(5) .
C23C C28C 1.48(4) .
C24C C25C 1.35(4) .
C24C C29C 1.50(4) .
C25C C30C 1.47(4) .
C26C H26G 0.9800 .
C26C H26H 0.9800 .
C26C H26I 0.9800 .
C27C H27G 0.9800 .
C27C H27H 0.9800 .
C27C H27I 0.9800 .
C28C H28G 0.9800 .
C28C H28H 0.9800 .
C28C H28I 0.9800 .
C29C H29G 0.9800 .
C29C H29H 0.9800 .
C29C H29I 0.9800 .
C30C H30G 0.9800 .
C30C H30H 0.9800 .
C30C H30I 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C40 C41 1.494(4) .
C41 C42 1.3900 .
C41 C46 1.3900 .
C42 H42 0.9500 .
C42 C43 1.3900 .
C43 H43 0.9500 .
C43 C44 1.3900 .
C44 H44 0.9500 .
C44 C45 1.3900 .
C45 H45 0.9500 .
C45 C46 1.3900 .
C46 H46 0.9500 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C33 C34 1.47(3) .
C34 C35 1.3900 .
C34 C39 1.3900 .
C35 H35 0.9500 .
C35 C36 1.3900 .
C36 H36 0.9500 .
C36 C37 1.3900 .
C37 H37 0.9500 .
C37 C38 1.3900 .
C38 H38 0.9500 .
C38 C39 1.3900 .
C39 H39 0.9500 .
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_4
Yb1 P2 O1A C31A 176.4(11) 2_676 .
Yb1 P2 C31A Mo1 179.62(17) 2_676 .
Yb1 P2 C31A O1A -3.0(9) 2_676 .
Yb1 P3 P6 Yb1 -7.8(18) 2_676 .
Yb1 P3 P6 P1 -116.1(9) 2_676 .
Yb1 P3 P6 P2 60.3(10) 2_676 2_676
Yb1 P3 P6 P3 -3.9(9) 2_676 2_676
Yb1 P3 P6 P4 -68.1(9) 2_676 .
Yb1 P3 P6 P5 108.8(9) 2_676 2_676
Yb1 P3 P6 P6 -3.9(9) 2_676 2_676
Yb1 P4 O1B C31B 178.4(11) . .
Yb1 P4 C31B Mo1 179.63(18) . .
Yb1 P4 C31B O1B -1.3(9) . .
Yb1 O1A C31A P2 5.1(16) 2_676 .
Yb1 O1B C31B P4 2.4(16) . .
Yb1 C1A C2A C3A 68.6(14) . .
Yb1 C1A C2A C7A -117.9(15) . .
Yb1 C1A C5A C4A -65.8(15) . .
Yb1 C1A C5A C10A 122.0(18) . .
Yb1 C2A C3A C4A 66.2(16) . .
Yb1 C2A C3A C8A -128(3) . .
Yb1 C3A C4A C5A 69.4(17) . .
Yb1 C3A C4A C9A -118(2) . .
Yb1 C4A C5A C1A 66.5(13) . .
Yb1 C4A C5A C10A -121.4(17) . .
Yb1 C11A C12A C13A 67.6(16) . .
Yb1 C11A C12A C17A -122(3) . .
Yb1 C11A C15A C14A -66.1(15) . .
Yb1 C11A C15A C20A 125(2) . .
Yb1 C12A C13A C14A 65.6(14) . .
Yb1 C12A C13A C18A -121.4(18) . .
Yb1 C13A C14A C15A 68.1(15) . .
Yb1 C13A C14A C19A -125.0(19) . .
Yb1 C14A C15A C11A 66.0(14) . .
Yb1 C14A C15A C20A -126(2) . .
Yb1 C1B C2B C3B 66.9(11) . .
Yb1 C1B C2B C7B -121.1(15) . .
Yb1 C1B C5B C4B -67.5(16) . .
Yb1 C1B C5B C10B 118.9(19) . .
Yb1 C2B C3B C4B 68.0(16) . .
Yb1 C2B C3B C8B -125.0(17) . .
Yb1 C3B C4B C5B 66.7(17) . .
Yb1 C3B C4B C9B -126(3) . .
Yb1 C4B C5B C1B 67.2(15) . .
Yb1 C4B C5B C10B -119.2(19) . .
Yb1 C11B C12B C13B 67.5(9) . .
Yb1 C11B C12B C17B -123.3(17) . .
Yb1 C11B C15B C14B -68.5(10) . .
Yb1 C11B C15B C20B 113(2) . .
Yb1 C12B C13B C14B 66.8(10) . .
Yb1 C12B C13B C18B -118.7(16) . .
Yb1 C13B C14B C15B 67.4(11) . .
Yb1 C13B C14B C19B -129(2) . .
Yb1 C14B C15B C11B 68.4(9) . .
Yb1 C14B C15B C20B -113(3) . .
Mo1 P1 O2C C32C -3(3) . .
Mo1 P1 C32C O2C 177(3) . .
Mo1 P1 C32D O2D -176(3) . .
Mo1 P2 O1A Yb1 -179.11(14) . 2_676
Mo1 P2 O1A C31A -2.7(11) . .
Mo1 P2 C31A O1A 177.4(10) . .
Mo1 P4 O1B Yb1 -179.39(15) . .
Mo1 P4 O1B C31B -0.9(10) . .
Mo1 P4 C31B O1B 179.1(10) . .
Mo1 P5 C32A O2A 178(3) . .
Mo1 P5 C32B O2B -173(3) . .
Mo1 C21A C22A C23A -59.6(18) . .
Mo1 C21A C22A C27A 117(3) . .
Mo1 C21A C25A C24A 64.1(17) . .
Mo1 C21A C25A C30A -127(2) . .
Mo1 C22A C23A C24A -70.2(14) . .
Mo1 C22A C23A C28A 123(2) . .
Mo1 C23A C24A C25A -62.9(16) . .
Mo1 C23A C24A C29A 119(3) . .
Mo1 C24A C25A C21A -65.4(18) . .
Mo1 C24A C25A C30A 127(2) . .
Mo1 C21B C22B C23B -59.0(19) . .
Mo1 C21B C22B C27B 128(3) . .
Mo1 C21B C25B C24B 66.4(15) . .
Mo1 C21B C25B C30B -117(3) . .
Mo1 C22B C23B C24B -65.4(16) . .
Mo1 C22B C23B C28B 134(3) . .
Mo1 C23B C24B C25B -58.1(17) . .
Mo1 C23B C24B C29B 123(5) . .
Mo1 C24B C25B C21B -65.7(15) . .
Mo1 C24B C25B C30B 118(2) . .
Mo1 C21C C22C C23C -65.9(16) . .
Mo1 C21C C22C C27C 117(2) . .
Mo1 C21C C25C C24C 62.7(17) . .
Mo1 C21C C25C C30C -120(2) . .
Mo1 C22C C23C C24C -61.9(15) . .
Mo1 C22C C23C C28C 123(2) . .
Mo1 C23C C24C C25C -64.1(17) . .
Mo1 C23C C24C C29C 129(3) . .
Mo1 C24C C25C C21C -58.7(15) . .
Mo1 C24C C25C C30C 125(3) . .
P1 P2 O1A Yb1 105.7(4) . 2_676
P1 P2 O1A C31A -77.8(11) . .
P1 P2 C31A Mo1 -45.4(6) . .
P1 P2 C31A O1A 132.0(6) . .
P1 P3 P6 Yb1 108.3(10) . .
P1 P3 P6 P2 176.4(3) . 2_676
P1 P3 P6 P3 112.2(2) . 2_676
P1 P3 P6 P4 48.0(2) . .
P1 P3 P6 P5 -135.2(2) . 2_676
P1 P3 P6 P6 112.2(2) . 2_676
P1 P4 O1B Yb1 -104.5(5) . .
P1 P4 O1B C31B 74.0(11) . .
P1 P4 C31B Mo1 47.0(6) . .
P1 P4 C31B O1B -134.0(6) . .
P2 P1 O2C C32C 64(3) . .
P2 P1 C32C Mo1 57.1(5) . .
P2 P1 C32C O2C -126(2) . .
P2 P1 C32D Mo1 40.1(10) . .
P2 P1 C32D O2D -136(2) . .
P2 P3 P6 Yb1 60.2(10) . .
P2 P3 P6 P1 -48.0(2) . .
P2 P3 P6 P2 128.4(2) . 2_676
P2 P3 P6 P3 64.2(3) . 2_676
P2 P3 P6 P4 0.0(4) . .
P2 P3 P6 P5 176.8(3) . 2_676
P2 P3 P6 P6 64.2(3) . 2_676
P2 P5 C32A Mo1 -45.5(9) . .
P2 P5 C32A O2A 133(2) . .
P2 P5 C32B Mo1 -56.9(6) . .
P2 P5 C32B O2B 130(2) . .
P3 P1 O2C C32C 136(2) . .
P3 P1 C32C Mo1 107.2(16) . .
P3 P1 C32C O2C -76(3) . .
P3 P2 O1A Yb1 32.2(5) . 2_676
P3 P2 O1A C31A -151.4(11) . .
P3 P2 C31A Mo1 -71(2) . .
P3 P2 C31A O1A 106.7(19) . .
P3 P3 P6 Yb1 -3.9(9) 2_676 .
P3 P3 P6 P1 -112.2(2) 2_676 .
P3 P3 P6 P2 64.2(3) 2_676 2_676
P3 P3 P6 P4 -64.2(3) 2_676 .
P3 P3 P6 P5 112.6(2) 2_676 2_676
P3 P3 P6 P6 0.000(3) 2_676 2_676
P3 P4 O1B Yb1 26.8(6) 2_676 .
P3 P4 O1B C31B -154.7(10) 2_676 .
P3 P4 C31B Mo1 -65(3) 2_676 .
P3 P4 C31B O1B 114(2) 2_676 .
P3 P5 C32A Mo1 95(2) 2_676 .
P3 P5 C32A O2A -87(3) 2_676 .
P4 P1 O2C C32C -70(3) . .
P4 P1 C32C Mo1 -41.2(10) . .
P4 P1 C32C O2C 135(2) . .
P4 P1 C32D Mo1 -56.3(5) . .
P4 P1 C32D O2D 128(2) . .
P4 P3 P6 Yb1 -69.4(10) 2_676 .
P4 P3 P6 P1 -177.7(3) 2_676 .
P4 P3 P6 P2 -1.3(4) 2_676 2_676
P4 P3 P6 P3 -65.5(3) 2_676 2_676
P4 P3 P6 P4 -129.7(2) 2_676 .
P4 P3 P6 P5 47.1(2) 2_676 2_676
P4 P3 P6 P6 -65.5(3) 2_676 2_676
P4 P5 C32A Mo1 51.8(7) . .
P4 P5 C32A O2A -130(2) . .
P4 P5 C32B Mo1 40.7(10) . .
P4 P5 C32B O2B -133(2) . .
P5 P2 O1A Yb1 -103.7(5) . 2_676
P5 P2 O1A C31A 72.7(11) . .
P5 P2 C31A Mo1 46.0(6) . .
P5 P2 C31A O1A -136.6(6) . .
P5 P3 P6 Yb1 -116.6(10) 2_676 .
P5 P3 P6 P1 135.2(2) 2_676 .
P5 P3 P6 P2 -48.4(2) 2_676 2_676
P5 P3 P6 P3 -112.6(2) 2_676 2_676
P5 P3 P6 P4 -176.9(3) 2_676 .
P5 P3 P6 P6 -112.6(2) 2_676 2_676
P5 P4 O1B Yb1 104.5(5) . .
P5 P4 O1B C31B -77.1(11) . .
P5 P4 C31B Mo1 -43.2(6) . .
P5 P4 C31B O1B 135.8(6) . .
P6 P1 O2C C32C -169(2) . .
P6 P1 C32C Mo1 -131(7) . .
P6 P1 C32C O2C 46(9) . .
P6 P1 C32D Mo1 -102.6(14) . .
P6 P1 C32D O2D 82(3) . .
P6 P2 O1A Yb1 -27.3(5) 2_676 2_676
P6 P2 O1A C31A 149.1(11) 2_676 .
P6 P2 C31A Mo1 71.8(19) 2_676 .
P6 P2 C31A O1A -110.8(17) 2_676 .
P6 P3 P6 Yb1 -3.9(9) 2_676 .
P6 P3 P6 P1 -112.2(2) 2_676 .
P6 P3 P6 P2 64.2(3) 2_676 2_676
P6 P3 P6 P3 0.000(0) 2_676 2_676
P6 P3 P6 P4 -64.2(3) 2_676 .
P6 P3 P6 P5 112.6(2) 2_676 2_676
P6 P4 O1B Yb1 -31.5(6) . .
P6 P4 O1B C31B 147.0(10) . .
P6 P4 C31B Mo1 73(2) . .
P6 P4 C31B O1B -108.4(18) . .
P6 P5 C32A Mo1 -93(4) 2_676 .
P6 P5 C32A O2A 85(5) 2_676 .
P6 P5 C32B Mo1 -104.1(16) 2_676 .
P6 P5 C32B O2B 83(3) 2_676 .
O1A P2 C31A Mo1 -177.4(10) . .
O2A P5 C32A Mo1 -178(3) . .
O2C P1 C32C Mo1 -177(3) . .
O1B P4 C31B Mo1 -179.1(10) . .
O2B P5 C32B Mo1 173(3) . .
O2D P1 C32D Mo1 176(3) . .
C1A C2A C3A Yb1 -68.5(12) . .
C1A C2A C3A C4A -2(2) . .
C1A C2A C3A C8A 163(2) . .
C2A C1A C5A Yb1 67.1(12) . .
C2A C1A C5A C4A 1(2) . .
C2A C1A C5A C10A -170.8(16) . .
C2A C3A C4A Yb1 -66.4(15) . .
C2A C3A C4A C5A 3(2) . .
C2A C3A C4A C9A 175(2) . .
C3A C4A C5A Yb1 -69.2(17) . .
C3A C4A C5A C1A -3(2) . .
C3A C4A C5A C10A 169.4(17) . .
C5A C1A C2A Yb1 -68.0(11) . .
C5A C1A C2A C3A 1(2) . .
C5A C1A C2A C7A 174.1(14) . .
C6A C1A C2A Yb1 121.7(18) . .
C6A C1A C2A C3A -169.6(18) . .
C6A C1A C2A C7A 4(3) . .
C6A C1A C5A Yb1 -123.1(16) . .
C6A C1A C5A C4A 171.1(18) . .
C6A C1A C5A C10A -1(3) . .
C7A C2A C3A Yb1 118.3(18) . .
C7A C2A C3A C4A -175.5(18) . .
C7A C2A C3A C8A -10(4) . .
C8A C3A C4A Yb1 128(2) . .
C8A C3A C4A C5A -163(2) . .
C8A C3A C4A C9A 10(4) . .
C9A C4A C5A Yb1 118(2) . .
C9A C4A C5A C1A -175.3(19) . .
C9A C4A C5A C10A -3(4) . .
C11A C12A C13A Yb1 -66.1(15) . .
C11A C12A C13A C14A 0(2) . .
C11A C12A C13A C18A 173(2) . .
C12A C11A C15A Yb1 68.8(14) . .
C12A C11A C15A C14A 2.7(19) . .
C12A C11A C15A C20A -166(2) . .
C12A C13A C14A Yb1 -66.0(17) . .
C12A C13A C14A C15A 2(2) . .
C12A C13A C14A C19A 169(2) . .
C13A C14A C15A Yb1 -69.0(14) . .
C13A C14A C15A C11A -3(2) . .
C13A C14A C15A C20A 165(2) . .
C15A C11A C12A Yb1 -69.0(11) . .
C15A C11A C12A C13A -1.4(19) . .
C15A C11A C12A C17A 169(4) . .
C16A C11A C12A Yb1 118.5(19) . .
C16A C11A C12A C13A -174(2) . .
C16A C11A C12A C17A -4(4) . .
C16A C11A C15A Yb1 -119(2) . .
C16A C11A C15A C14A 175(2) . .
C16A C11A C15A C20A 6(3) . .
C17A C12A C13A Yb1 124(4) . .
C17A C12A C13A C14A -171(3) . .
C17A C12A C13A C18A 2(4) . .
C18A C13A C14A Yb1 121(2) . .
C18A C13A C14A C15A -170(2) . .
C18A C13A C14A C19A -4(3) . .
C19A C14A C15A Yb1 124.3(19) . .
C19A C14A C15A C11A -169.8(19) . .
C19A C14A C15A C20A -2(4) . .
C21A C22A C23A Mo1 63(2) . .
C21A C22A C23A C24A -7(3) . .
C21A C22A C23A C28A -173(2) . .
C22A C21A C25A Mo1 -63.0(19) . .
C22A C21A C25A C24A 1(3) . .
C22A C21A C25A C30A 170(2) . .
C22A C23A C24A Mo1 69.7(14) . .
C22A C23A C24A C25A 7(2) . .
C22A C23A C24A C29A -171(2) . .
C23A C24A C25A Mo1 60.2(15) . .
C23A C24A C25A C21A -5(3) . .
C23A C24A C25A C30A -173(2) . .
C25A C21A C22A Mo1 63.4(19) . .
C25A C21A C22A C23A 4(3) . .
C25A C21A C22A C27A -180(2) . .
C26A C21A C22A Mo1 -121(2) . .
C26A C21A C22A C23A 179(2) . .
C26A C21A C22A C27A -5(4) . .
C26A C21A C25A Mo1 123(3) . .
C26A C21A C25A C24A -173(3) . .
C26A C21A C25A C30A -5(4) . .
C27A C22A C23A Mo1 -113.4(19) . .
C27A C22A C23A C24A 176(2) . .
C27A C22A C23A C28A 10(4) . .
C28A C23A C24A Mo1 -121.2(17) . .
C28A C23A C24A C25A 175.9(17) . .
C28A C23A C24A C29A -2(4) . .
C29A C24A C25A Mo1 -122(2) . .
C29A C24A C25A C21A 173(2) . .
C29A C24A C25A C30A 5(4) . .
C31A P2 O1A Yb1 -176.4(11) . 2_676
C1B C2B C3B Yb1 -66.8(11) . .
C1B C2B C3B C4B 1(2) . .
C1B C2B C3B C8B 168.2(16) . .
C2B C1B C5B Yb1 67.5(11) . .
C2B C1B C5B C4B 0(2) . .
C2B C1B C5B C10B -173.6(17) . .
C2B C3B C4B Yb1 -67.8(13) . .
C2B C3B C4B C5B -1(3) . .
C2B C3B C4B C9B 166(2) . .
C3B C4B C5B Yb1 -66.5(17) . .
C3B C4B C5B C1B 1(3) . .
C3B C4B C5B C10B 174.3(19) . .
C5B C1B C2B Yb1 -67.6(13) . .
C5B C1B C2B C3B -0.8(19) . .
C5B C1B C2B C7B 171.3(15) . .
C6B C1B C2B Yb1 123.0(16) . .
C6B C1B C2B C3B -170.1(15) . .
C6B C1B C2B C7B 2(3) . .
C6B C1B C5B Yb1 -123.5(19) . .
C6B C1B C5B C4B 169(2) . .
C6B C1B C5B C10B -5(3) . .
C7B C2B C3B Yb1 121.0(13) . .
C7B C2B C3B C4B -171.1(16) . .
C7B C2B C3B C8B -4(3) . .
C8B C3B C4B Yb1 125(2) . .
C8B C3B C4B C5B -167.9(17) . .
C8B C3B C4B C9B -1(4) . .
C9B C4B C5B Yb1 126(2) . .
C9B C4B C5B C1B -167(2) . .
C9B C4B C5B C10B 6(4) . .
C11B C12B C13B Yb1 -66.8(10) . .
C11B C12B C13B C14B 0.0 . .
C11B C12B C13B C18B 175(2) . .
C12B C11B C15B Yb1 68.5(10) . .
C12B C11B C15B C14B 0.0 . .
C12B C11B C15B C20B -179(3) . .
C12B C13B C14B Yb1 -67.4(11) . .
C12B C13B C14B C15B -0.1 . .
C12B C13B C14B C19B 163(2) . .
C13B C14B C15B Yb1 -68.4(9) . .
C13B C14B C15B C11B 0.0 . .
C13B C14B C15B C20B 179(3) . .
C15B C11B C12B Yb1 -67.5(9) . .
C15B C11B C12B C13B 0.0 . .
C15B C11B C12B C17B 169(2) . .
C16B C11B C12B Yb1 123(2) . .
C16B C11B C12B C13B -170(3) . .
C16B C11B C12B C17B -1(3) . .
C16B C11B C15B Yb1 -122(2) . .
C16B C11B C15B C14B 169(3) . .
C16B C11B C15B C20B -10(3) . .
C17B C12B C13B Yb1 123.4(19) . .
C17B C12B C13B C14B -170(2) . .
C17B C12B C13B C18B 5(3) . .
C18B C13B C14B Yb1 118.0(16) . .
C18B C13B C14B C15B -175(2) . .
C18B C13B C14B C19B -11(3) . .
C19B C14B C15B Yb1 127.3(17) . .
C19B C14B C15B C11B -164(2) . .
C19B C14B C15B C20B 15(3) . .
C21B C22B C23B Mo1 58.1(18) . .
C21B C22B C23B C24B -7(3) . .
C21B C22B C23B C28B -168(3) . .
C22B C21B C25B Mo1 -66.0(18) . .
C22B C21B C25B C24B 0(3) . .
C22B C21B C25B C30B 177(3) . .
C22B C23B C24B Mo1 66.0(16) . .
C22B C23B C24B C25B 8(3) . .
C22B C23B C24B C29B -171(5) . .
C23B C24B C25B Mo1 60(2) . .
C23B C24B C25B C21B -6(3) . .
C23B C24B C25B C30B 178(3) . .
C25B C21B C22B Mo1 63.5(15) . .
C25B C21B C22B C23B 4(3) . .
C25B C21B C22B C27B -169(3) . .
C26B C21B C22B Mo1 -119(3) . .
C26B C21B C22B C23B -178(3) . .
C26B C21B C22B C27B 8(5) . .
C26B C21B C25B Mo1 117(3) . .
C26B C21B C25B C24B -177(3) . .
C26B C21B C25B C30B 0(5) . .
C27B C22B C23B Mo1 -128(3) . .
C27B C22B C23B C24B 166(3) . .
C27B C22B C23B C28B 5(5) . .
C28B C23B C24B Mo1 -136(4) . .
C28B C23B C24B C25B 165(3) . .
C28B C23B C24B C29B -14(7) . .
C29B C24B C25B Mo1 -121(3) . .
C29B C24B C25B C21B 174(3) . .
C29B C24B C25B C30B -3(4) . .
C31B P4 O1B Yb1 -178.4(11) . .
C21C C22C C23C Mo1 62.2(15) . .
C21C C22C C23C C24C 0(2) . .
C21C C22C C23C C28C -175(2) . .
C22C C21C C25C Mo1 -67.5(14) . .
C22C C21C C25C C24C -5(2) . .
C22C C21C C25C C30C 172(2) . .
C22C C23C C24C Mo1 60.7(15) . .
C22C C23C C24C C25C -3(3) . .
C22C C23C C24C C29C -170(3) . .
C23C C24C C25C Mo1 63.7(17) . .
C23C C24C C25C C21C 5(3) . .
C23C C24C C25C C30C -172(3) . .
C25C C21C C22C Mo1 68.6(14) . .
C25C C21C C22C C23C 3(2) . .
C25C C21C C22C C27C -175(2) . .
C26C C21C C22C Mo1 -118(2) . .
C26C C21C C22C C23C 176(2) . .
C26C C21C C22C C27C -2(4) . .
C26C C21C C25C Mo1 120(2) . .
C26C C21C C25C C24C -177(2) . .
C26C C21C C25C C30C 0(4) . .
C27C C22C C23C Mo1 -121(2) . .
C27C C22C C23C C24C 177(2) . .
C27C C22C C23C C28C 3(4) . .
C28C C23C C24C Mo1 -125(3) . .
C28C C23C C24C C25C 171(3) . .
C28C C23C C24C C29C 5(4) . .
C29C C24C C25C Mo1 -130(3) . .
C29C C24C C25C C21C 171(3) . .
C29C C24C C25C C30C -5(5) . .
C40 C41 C42 C43 178(3) . .
C40 C41 C46 C45 -178(3) . .
C41 C42 C43 C44 0.0 . .
C42 C41 C46 C45 0.0 . .
C42 C43 C44 C45 0.0 . .
C43 C44 C45 C46 0.0 . .
C44 C45 C46 C41 0.0 . .
C46 C41 C42 C43 0.0 . .
C33 C34 C35 C36 179.3(16) . .
C33 C34 C39 C38 -179.2(17) . .
C34 C35 C36 C37 0.0 . .
C35 C34 C39 C38 0.0 . .
C35 C36 C37 C38 0.0 . .
C36 C37 C38 C39 0.0 . .
C37 C38 C39 C34 0.0 . .
C39 C34 C35 C36 0.0 . .
