#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/63/2236305.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2236305
loop_
_publ_author_name
'Gschwind, Fabienne'
'Jansen, Martin'
_publ_section_title
;
 Bis[(1,10-phenanthroline-κ²N,N')bis(triphenylphosphane-κP)copper(I)]
 nonadecaoxidohexamolybdate(VI)
;
_journal_coeditor_code           HG5234
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1206
_journal_page_last               m1207
_journal_paper_doi               10.1107/S1600536812036367
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu (C12 H8 N2) (C18 H15 P)2]2 [Mo6 O19]'
_chemical_formula_moiety         '2(C48 H38 Cu N2 P2 +), Mo6 O19 2-'
_chemical_formula_sum            'C96 H76 Cu2 Mo6 N4 O19 P4'
_chemical_formula_weight         2416.23
_chemical_name_systematic
;
Bis[(1,10-phenanthroline-κ²N,N')bis(triphenylphosphane-
κP)copper(I)] nonadecaoxidohexamolybdate(VI)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.03(3)
_cell_angle_beta                 102.98(3)
_cell_angle_gamma                93.93(3)
_cell_formula_units_Z            1
_cell_length_a                   11.287(2)
_cell_length_b                   13.572(3)
_cell_length_c                   16.307(3)
_cell_measurement_reflns_used    22955
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.7
_cell_measurement_theta_min      1.3
_cell_volume                     2273.7(10)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2009)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2009)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2009)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0307
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22882
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    1.401
_exptl_absorpt_correction_T_max  0.9084
_exptl_absorpt_correction_T_min  0.8176
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE; Stoe & Cie, 2009)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1202
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.246
_refine_diff_density_min         -0.565
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.856
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     592
_refine_ls_number_reflns         9593
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.856
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0261
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0449P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0594
_refine_ls_wR_factor_ref         0.0630
_reflns_number_gt                7714
_reflns_number_total             9593
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            hg5234.cif
_cod_data_source_block           I
_cod_original_cell_volume        2273.7(8)
_cod_database_code               2236305
_cod_database_fobs_code          2236305
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
N N1 0.77376(18) 0.75215(17) 0.33346(13) 0.0316(4) Uani d . 1 1
C C2 0.7543(2) 0.8190(2) 0.40689(18) 0.0395(6) Uani d . 1 1
H H2 0.7061 0.8704 0.4011 0.047 Uiso calc R 1 1
C C3 0.8023(3) 0.8165(3) 0.49267(18) 0.0475(7) Uani d . 1 1
H H3 0.7852 0.8646 0.5424 0.057 Uiso calc R 1 1
C C4 0.8742(3) 0.7429(3) 0.50257(19) 0.0496(7) Uani d . 1 1
H H4 0.9069 0.7403 0.5594 0.060 Uiso calc R 1 1
C C5 0.8988(2) 0.6712(2) 0.42729(18) 0.0392(6) Uani d . 1 1
C C6 0.8446(2) 0.6764(2) 0.34301(16) 0.0306(5) Uani d . 1 1
C C7 0.9768(3) 0.5924(3) 0.4315(2) 0.0490(7) Uani d . 1 1
H H7 1.0152 0.5893 0.4872 0.059 Uiso calc R 1 1
C C8 0.9951(2) 0.5240(3) 0.3575(2) 0.0478(7) Uani d . 1 1
H H8 1.0459 0.4740 0.3627 0.057 Uiso calc R 1 1
C C9 0.9388(2) 0.5253(2) 0.27000(19) 0.0371(6) Uani d . 1 1
C C10 0.86382(19) 0.60291(19) 0.26322(17) 0.0305(5) Uani d . 1 1
N N2 0.81050(17) 0.61224(16) 0.18323(13) 0.0310(4) Uani d . 1 1
C C12 0.8292(2) 0.5449(2) 0.10935(18) 0.0394(6) Uani d . 1 1
H H12 0.7927 0.5507 0.0543 0.047 Uiso calc R 1 1
C C13 0.9012(3) 0.4656(2) 0.1106(2) 0.0480(7) Uani d . 1 1
H H13 0.9120 0.4195 0.0573 0.058 Uiso calc R 1 1
C C14 0.9558(2) 0.4563(2) 0.1909(2) 0.0473(7) Uani d . 1 1
H H14 1.0042 0.4038 0.1925 0.057 Uiso calc R 1 1
C C15 1.0301(2) 0.85331(19) 0.29914(16) 0.0294(5) Uani d . 1 1
C C16 1.0508(2) 0.9196(2) 0.38800(18) 0.0382(6) Uani d . 1 1
H H16 1.0101 0.9778 0.4020 0.046 Uiso calc R 1 1
C C17 1.1321(3) 0.8991(3) 0.45586(18) 0.0459(7) Uani d . 1 1
H H17 1.1453 0.9434 0.5153 0.055 Uiso calc R 1 1
C C18 1.1938(2) 0.8131(3) 0.4357(2) 0.0463(7) Uani d . 1 1
H H18 1.2478 0.7995 0.4815 0.056 Uiso calc R 1 1
C C19 1.1749(2) 0.7481(2) 0.3481(2) 0.0430(6) Uani d . 1 1
H H19 1.2173 0.6909 0.3344 0.052 Uiso calc R 1 1
C C20 1.0929(2) 0.7674(2) 0.28012(17) 0.0351(5) Uani d . 1 1
H H20 1.0796 0.7223 0.2210 0.042 Uiso calc R 1 1
C C21 0.9724(2) 0.8439(2) 0.11557(17) 0.0358(5) Uani d . 1 1
C C22 1.0965(3) 0.8739(3) 0.12552(19) 0.0454(7) Uani d . 1 1
H H22 1.1505 0.8999 0.1826 0.054 Uiso calc R 1 1
C C23 1.1404(3) 0.8655(3) 0.0515(2) 0.0592(8) Uani d . 1 1
H H23 1.2236 0.8861 0.0589 0.071 Uiso calc R 1 1
C C24 1.0614(4) 0.8270(3) -0.0332(2) 0.0657(10) Uani d . 1 1
H H24 1.0911 0.8218 -0.0830 0.079 Uiso calc R 1 1
C C25 0.9396(4) 0.7963(3) -0.0442(2) 0.0625(9) Uani d . 1 1
H H25 0.8862 0.7709 -0.1016 0.075 Uiso calc R 1 1
C C26 0.8947(3) 0.8027(3) 0.02979(19) 0.0475(7) Uani d . 1 1
H H26 0.8121 0.7791 0.0215 0.057 Uiso calc R 1 1
C C27 0.8914(2) 1.0043(2) 0.24709(16) 0.0331(5) Uani d . 1 1
C C28 0.9738(3) 1.0803(2) 0.2400(2) 0.0453(6) Uani d . 1 1
H H28 1.0402 1.0607 0.2168 0.054 Uiso calc R 1 1
C C33 0.4973(2) 0.7708(2) 0.03642(16) 0.0320(5) Uani d . 1 1
C C29 0.9572(3) 1.1848(2) 0.2673(2) 0.0566(8) Uani d . 1 1
H H29 1.0123 1.2349 0.2618 0.068 Uiso calc R 1 1
C C34 0.5743(3) 0.8412(2) 0.01921(19) 0.0441(6) Uani d . 1 1
H H34 0.6434 0.8814 0.0640 0.053 Uiso calc R 1 1
C C35 0.5489(3) 0.8519(3) -0.0645(2) 0.0618(9) Uani d . 1 1
H H35 0.6004 0.8998 -0.0755 0.074 Uiso calc R 1 1
C C30 0.8613(3) 1.2152(3) 0.3019(2) 0.0606(9) Uani d . 1 1
H H30A 0.8511 1.2858 0.3200 0.073 Uiso calc R 1 1
C C36 0.4480(3) 0.7919(3) -0.1310(2) 0.0676(10) Uani d . 1 1
H H36 0.4318 0.7982 -0.1873 0.081 Uiso calc R 1 1
C C31 0.7794(3) 1.1418(3) 0.3103(2) 0.0589(9) Uani d . 1 1
H H31A 0.7145 1.1629 0.3349 0.071 Uiso calc R 1 1
C C32 0.7935(3) 1.0358(2) 0.28200(19) 0.0442(6) Uani d . 1 1
H H32 0.7369 0.9860 0.2866 0.053 Uiso calc R 1 1
C C37 0.3714(3) 0.7229(3) -0.1144(2) 0.0648(10) Uani d . 1 1
H H37 0.3025 0.6828 -0.1594 0.078 Uiso calc R 1 1
C C38 0.3955(3) 0.7122(3) -0.03103(18) 0.0477(7) Uani d . 1 1
H H38 0.3426 0.6649 -0.0204 0.057 Uiso calc R 1 1
C C39 0.4811(2) 0.8713(2) 0.21782(16) 0.0307(5) Uani d . 1 1
C C40 0.4625(3) 0.9616(2) 0.19788(19) 0.0430(6) Uani d . 1 1
H H40 0.4746 0.9656 0.1444 0.052 Uiso calc R 1 1
C C41 0.4265(3) 1.0456(2) 0.2562(2) 0.0556(8) Uani d . 1 1
H H41 0.4155 1.1060 0.2420 0.067 Uiso calc R 1 1
C C42 0.4066(3) 1.0410(3) 0.3349(2) 0.0550(8) Uani d . 1 1
H H42 0.3809 1.0973 0.3736 0.066 Uiso calc R 1 1
C C43 0.4250(3) 0.9524(3) 0.3559(2) 0.0568(8) Uani d . 1 1
H H43 0.4129 0.9492 0.4096 0.068 Uiso calc R 1 1
C C44 0.4614(3) 0.8676(2) 0.29817(18) 0.0426(6) Uani d . 1 1
H H44 0.4728 0.8078 0.3131 0.051 Uiso calc R 1 1
C C45 0.4334(2) 0.6472(2) 0.14044(16) 0.0317(5) Uani d . 1 1
C C46 0.3092(2) 0.6507(2) 0.1356(2) 0.0431(6) Uani d . 1 1
H H46 0.2764 0.7109 0.1327 0.052 Uiso calc R 1 1
C C47 0.2343(3) 0.5654(3) 0.1349(2) 0.0532(8) Uani d . 1 1
H H47 0.1514 0.5685 0.1316 0.064 Uiso calc R 1 1
C C48 0.2821(3) 0.4760(3) 0.1391(2) 0.0565(8) Uani d . 1 1
H H48 0.2317 0.4190 0.1394 0.068 Uiso calc R 1 1
C C49 0.4036(3) 0.4711(3) 0.1428(3) 0.0678(10) Uani d . 1 1
H H49 0.4357 0.4104 0.1449 0.081 Uiso calc R 1 1
C C50 0.4790(3) 0.5563(2) 0.1436(2) 0.0525(8) Uani d . 1 1
H H50 0.5616 0.5523 0.1463 0.063 Uiso calc R 1 1
O O1 0.38560(15) 0.66417(14) 0.55476(12) 0.0365(4) Uani d . 1 1
O O2 0.48099(18) 0.77098(16) 0.45498(14) 0.0468(5) Uani d . 1 1
O O3 0.35276(15) 0.56076(15) 0.38050(12) 0.0370(4) Uani d . 1 1
O O4 0.53226(16) 0.60361(15) 0.67428(11) 0.0366(4) Uani d . 1 1
O O5 0.25802(14) 0.46973(14) 0.47725(12) 0.0352(4) Uani d . 1 1
O O6 0.62731(15) 0.69308(14) 0.57680(12) 0.0352(4) Uani d . 1 1
O O7 0.20889(17) 0.35874(17) 0.28887(13) 0.0474(5) Uani d . 1 1
O O8 0.27708(17) 0.57790(17) 0.66223(14) 0.0477(5) Uani d . 1 1
O O10 0.59376(15) 0.58943(14) 0.40197(12) 0.0361(4) Uani d . 1 1
Mo Mo1 0.332353(18) 0.417707(18) 0.376775(14) 0.03313(6) Uani d . 1 1
Mo Mo2 0.488590(19) 0.656614(17) 0.473466(15) 0.03361(6) Uani d . 1 1
Mo Mo3 0.368576(19) 0.544685(18) 0.592333(15) 0.03407(6) Uani d . 1 1
Cu Cu1 0.73671(2) 0.75378(2) 0.202353(19) 0.02976(7) Uani d . 1 1
P P1 0.90530(5) 0.86401(5) 0.21108(4) 0.02878(13) Uani d . 1 1
P P2 0.53840(5) 0.75954(5) 0.14762(4) 0.02702(12) Uani d . 1 1
O O9 0.5000 0.5000 0.5000 0.0240(4) Uani d S 1 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C2 N1 C6 . . 117.6(2)
C2 N1 Cu1 . . 130.46(18)
C6 N1 Cu1 . . 111.25(16)
N1 C2 C3 . . 123.5(3)
N1 C2 H2 . . 118.3
C3 C2 H2 . . 118.3
C4 C3 C2 . . 119.1(3)
C4 C3 H3 . . 120.4
C2 C3 H3 . . 120.4
C3 C4 C5 . . 119.7(3)
C3 C4 H4 . . 120.1
C5 C4 H4 . . 120.1
C4 C5 C6 . . 118.0(3)
C4 C5 C7 . . 123.6(3)
C6 C5 C7 . . 118.3(3)
N1 C6 C5 . . 122.0(2)
N1 C6 C10 . . 117.5(2)
C5 C6 C10 . . 120.5(2)
C8 C7 C5 . . 121.4(3)
C8 C7 H7 . . 119.3
C5 C7 H7 . . 119.3
C7 C8 C9 . . 121.8(3)
C7 C8 H8 . . 119.1
C9 C8 H8 . . 119.1
C14 C9 C10 . . 117.5(2)
C14 C9 C8 . . 124.0(3)
C10 C9 C8 . . 118.5(3)
N2 C10 C9 . . 122.4(2)
N2 C10 C6 . . 118.1(2)
C9 C10 C6 . . 119.5(2)
C12 N2 C10 . . 118.2(2)
C12 N2 Cu1 . . 129.71(17)
C10 N2 Cu1 . . 111.05(16)
N2 C12 C13 . . 122.8(3)
N2 C12 H12 . . 118.6
C13 C12 H12 . . 118.6
C14 C13 C12 . . 119.3(3)
C14 C13 H13 . . 120.3
C12 C13 H13 . . 120.3
C13 C14 C9 . . 119.8(3)
C13 C14 H14 . . 120.1
C9 C14 H14 . . 120.1
C16 C15 C20 . . 118.8(2)
C16 C15 P1 . . 121.08(19)
C20 C15 P1 . . 119.35(19)
C17 C16 C15 . . 120.0(2)
C17 C16 H16 . . 120.0
C15 C16 H16 . . 120.0
C18 C17 C16 . . 120.4(3)
C18 C17 H17 . . 119.8
C16 C17 H17 . . 119.8
C19 C18 C17 . . 119.9(2)
C19 C18 H18 . . 120.1
C17 C18 H18 . . 120.1
C18 C19 C20 . . 120.0(3)
C18 C19 H19 . . 120.0
C20 C19 H19 . . 120.0
C19 C20 C15 . . 120.9(2)
C19 C20 H20 . . 119.6
C15 C20 H20 . . 119.6
C26 C21 C22 . . 118.5(3)
C26 C21 P1 . . 118.4(2)
C22 C21 P1 . . 123.0(2)
C23 C22 C21 . . 120.7(3)
C23 C22 H22 . . 119.7
C21 C22 H22 . . 119.7
C24 C23 C22 . . 120.1(3)
C24 C23 H23 . . 119.9
C22 C23 H23 . . 119.9
C25 C24 C23 . . 120.0(3)
C25 C24 H24 . . 120.0
C23 C24 H24 . . 120.0
C24 C25 C26 . . 120.4(3)
C24 C25 H25 . . 119.8
C26 C25 H25 . . 119.8
C21 C26 C25 . . 120.3(3)
C21 C26 H26 . . 119.8
C25 C26 H26 . . 119.8
C32 C27 C28 . . 118.7(3)
C32 C27 P1 . . 118.3(2)
C28 C27 P1 . . 123.0(2)
C29 C28 C27 . . 120.2(3)
C29 C28 H28 . . 119.9
C27 C28 H28 . . 119.9
C38 C33 C34 . . 118.7(2)
C38 C33 P2 . . 123.6(2)
C34 C33 P2 . . 117.71(19)
C30 C29 C28 . . 120.8(3)
C30 C29 H29 . . 119.6
C28 C29 H29 . . 119.6
C33 C34 C35 . . 120.3(3)
C33 C34 H34 . . 119.8
C35 C34 H34 . . 119.8
C36 C35 C34 . . 120.1(3)
C36 C35 H35 . . 120.0
C34 C35 H35 . . 120.0
C29 C30 C31 . . 120.1(3)
C29 C30 H30A . . 120.0
C31 C30 H30A . . 120.0
C37 C36 C35 . . 120.0(3)
C37 C36 H36 . . 120.0
C35 C36 H36 . . 120.0
C30 C31 C32 . . 120.0(3)
C30 C31 H31A . . 120.0
C32 C31 H31A . . 120.0
C27 C32 C31 . . 120.2(3)
C27 C32 H32 . . 119.9
C31 C32 H32 . . 119.9
C36 C37 C38 . . 120.4(3)
C36 C37 H37 . . 119.8
C38 C37 H37 . . 119.8
C33 C38 C37 . . 120.6(3)
C33 C38 H38 . . 119.7
C37 C38 H38 . . 119.7
C40 C39 C44 . . 118.0(2)
C40 C39 P2 . . 123.7(2)
C44 C39 P2 . . 118.2(2)
C41 C40 C39 . . 120.9(3)
C41 C40 H40 . . 119.5
C39 C40 H40 . . 119.5
C42 C41 C40 . . 120.6(3)
C42 C41 H41 . . 119.7
C40 C41 H41 . . 119.7
C43 C42 C41 . . 119.3(3)
C43 C42 H42 . . 120.4
C41 C42 H42 . . 120.4
C42 C43 C44 . . 120.8(3)
C42 C43 H43 . . 119.6
C44 C43 H43 . . 119.6
C43 C44 C39 . . 120.5(3)
C43 C44 H44 . . 119.8
C39 C44 H44 . . 119.8
C50 C45 C46 . . 118.3(2)
C50 C45 P2 . . 119.1(2)
C46 C45 P2 . . 122.5(2)
C47 C46 C45 . . 120.5(3)
C47 C46 H46 . . 119.8
C45 C46 H46 . . 119.8
C48 C47 C46 . . 120.2(3)
C48 C47 H47 . . 119.9
C46 C47 H47 . . 119.9
C49 C48 C47 . . 119.9(3)
C49 C48 H48 . . 120.1
C47 C48 H48 . . 120.1
C48 C49 C50 . . 120.2(3)
C48 C49 H49 . . 119.9
C50 C49 H49 . . 119.9
C45 C50 C49 . . 121.0(3)
C45 C50 H50 . . 119.5
C49 C50 H50 . . 119.5
Mo3 O1 Mo2 . . 116.14(9)
Mo1 O3 Mo2 . . 116.61(8)
Mo1 O4 Mo3 2_666 . 116.64(9)
Mo3 O5 Mo1 . . 116.44(8)
Mo2 O6 Mo1 . 2_666 116.49(9)
Mo2 O10 Mo3 . 2_666 116.62(9)
O7 Mo1 O4 . 2_666 103.95(9)
O7 Mo1 O3 . . 103.37(9)
O4 Mo1 O3 2_666 . 88.49(8)
O7 Mo1 O6 . 2_666 103.46(9)
O4 Mo1 O6 2_666 2_666 87.56(8)
O3 Mo1 O6 . 2_666 153.05(7)
O7 Mo1 O5 . . 102.67(9)
O4 Mo1 O5 2_666 . 153.37(7)
O3 Mo1 O5 . . 86.14(8)
O6 Mo1 O5 2_666 . 85.56(8)
O7 Mo1 O9 . . 178.81(7)
O4 Mo1 O9 2_666 . 77.24(6)
O3 Mo1 O9 . . 76.61(6)
O6 Mo1 O9 2_666 . 76.52(6)
O5 Mo1 O9 . . 76.15(5)
O2 Mo2 O10 . . 103.27(9)
O2 Mo2 O6 . . 102.58(9)
O10 Mo2 O6 . . 87.67(8)
O2 Mo2 O3 . . 103.70(9)
O10 Mo2 O3 . . 86.88(8)
O6 Mo2 O3 . . 153.71(7)
O2 Mo2 O1 . . 103.00(9)
O10 Mo2 O1 . . 153.73(7)
O6 Mo2 O1 . . 86.97(8)
O3 Mo2 O1 . . 86.63(8)
O2 Mo2 O9 . . 179.56(8)
O10 Mo2 O9 . . 76.86(6)
O6 Mo2 O9 . . 77.00(6)
O3 Mo2 O9 . . 76.72(6)
O1 Mo2 O9 . . 76.87(6)
O8 Mo3 O5 . . 104.52(9)
O8 Mo3 O1 . . 103.60(9)
O5 Mo3 O1 . . 88.27(8)
O8 Mo3 O10 . 2_666 102.87(9)
O5 Mo3 O10 . 2_666 87.76(8)
O1 Mo3 O10 . 2_666 153.39(7)
O8 Mo3 O4 . . 101.95(9)
O5 Mo3 O4 . . 153.53(7)
O1 Mo3 O4 . . 85.93(8)
O10 Mo3 O4 2_666 . 85.99(8)
O8 Mo3 O9 . . 178.16(7)
O5 Mo3 O9 . . 77.25(5)
O1 Mo3 O9 . . 76.88(6)
O10 Mo3 O9 2_666 . 76.57(6)
O4 Mo3 O9 . . 76.28(6)
N1 Cu1 N2 . . 80.24(8)
N1 Cu1 P2 . . 112.06(6)
N2 Cu1 P2 . . 123.26(6)
N1 Cu1 P1 . . 101.36(7)
N2 Cu1 P1 . . 99.82(6)
P2 Cu1 P1 . . 128.31(3)
C15 P1 C27 . . 104.56(12)
C15 P1 C21 . . 103.74(11)
C27 P1 C21 . . 103.67(12)
C15 P1 Cu1 . . 106.58(8)
C27 P1 Cu1 . . 115.18(9)
C21 P1 Cu1 . . 121.40(9)
C45 P2 C33 . . 105.64(12)
C45 P2 C39 . . 102.26(11)
C33 P2 C39 . . 103.70(11)
C45 P2 Cu1 . . 114.30(9)
C33 P2 Cu1 . . 115.88(8)
C39 P2 Cu1 . . 113.58(8)
Mo2 O9 Mo2 . 2_666 180.0
Mo2 O9 Mo3 . 2_666 89.91(3)
Mo2 O9 Mo3 2_666 2_666 90.09(3)
Mo2 O9 Mo3 . . 90.09(3)
Mo2 O9 Mo3 2_666 . 89.91(3)
Mo3 O9 Mo3 2_666 . 180.0
Mo2 O9 Mo1 . 2_666 89.98(3)
Mo2 O9 Mo1 2_666 2_666 90.02(3)
Mo3 O9 Mo1 2_666 2_666 90.16(2)
Mo3 O9 Mo1 . 2_666 89.84(2)
Mo2 O9 Mo1 . . 90.02(3)
Mo2 O9 Mo1 2_666 . 89.98(3)
Mo3 O9 Mo1 2_666 . 89.84(2)
Mo3 O9 Mo1 . . 90.16(2)
Mo1 O9 Mo1 2_666 . 180.0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
N1 C2 . 1.320(3)
N1 C6 . 1.372(3)
N1 Cu1 . 2.092(2)
C2 C3 . 1.394(4)
C2 H2 . 0.9300
C3 C4 . 1.356(5)
C3 H3 . 0.9300
C4 C5 . 1.394(4)
C4 H4 . 0.9300
C5 C6 . 1.399(3)
C5 C7 . 1.440(4)
C6 C10 . 1.430(4)
C7 C8 . 1.330(5)
C7 H7 . 0.9300
C8 C9 . 1.431(4)
C8 H8 . 0.9300
C9 C14 . 1.388(4)
C9 C10 . 1.412(3)
C10 N2 . 1.358(3)
N2 C12 . 1.324(3)
N2 Cu1 . 2.104(2)
C12 C13 . 1.395(4)
C12 H12 . 0.9300
C13 C14 . 1.366(4)
C13 H13 . 0.9300
C14 H14 . 0.9300
C15 C16 . 1.390(4)
C15 C20 . 1.391(3)
C15 P1 . 1.823(2)
C16 C17 . 1.387(4)
C16 H16 . 0.9300
C17 C18 . 1.385(4)
C17 H17 . 0.9300
C18 C19 . 1.371(4)
C18 H18 . 0.9300
C19 C20 . 1.385(4)
C19 H19 . 0.9300
C20 H20 . 0.9300
C21 C26 . 1.382(4)
C21 C22 . 1.389(4)
C21 P1 . 1.831(3)
C22 C23 . 1.380(4)
C22 H22 . 0.9300
C23 C24 . 1.374(5)
C23 H23 . 0.9300
C24 C25 . 1.363(5)
C24 H24 . 0.9300
C25 C26 . 1.391(4)
C25 H25 . 0.9300
C26 H26 . 0.9300
C27 C32 . 1.384(4)
C27 C28 . 1.392(4)
C27 P1 . 1.830(3)
C28 C29 . 1.381(4)
C28 H28 . 0.9300
C33 C38 . 1.378(4)
C33 C34 . 1.385(4)
C33 P2 . 1.827(2)
C29 C30 . 1.359(5)
C29 H29 . 0.9300
C34 C35 . 1.388(4)
C34 H34 . 0.9300
C35 C36 . 1.371(5)
C35 H35 . 0.9300
C30 C31 . 1.372(5)
C30 H30A . 0.9300
C36 C37 . 1.362(5)
C36 H36 . 0.9300
C31 C32 . 1.393(4)
C31 H31A . 0.9300
C32 H32 . 0.9300
C37 C38 . 1.382(4)
C37 H37 . 0.9300
C38 H38 . 0.9300
C39 C40 . 1.384(4)
C39 C44 . 1.393(4)
C39 P2 . 1.834(3)
C40 C41 . 1.379(4)
C40 H40 . 0.9300
C41 C42 . 1.373(5)
C41 H41 . 0.9300
C42 C43 . 1.369(5)
C42 H42 . 0.9300
C43 C44 . 1.382(4)
C43 H43 . 0.9300
C44 H44 . 0.9300
C45 C50 . 1.381(4)
C45 C46 . 1.391(4)
C45 P2 . 1.821(3)
C46 C47 . 1.382(4)
C46 H46 . 0.9300
C47 C48 . 1.377(5)
C47 H47 . 0.9300
C48 C49 . 1.366(5)
C48 H48 . 0.9300
C49 C50 . 1.383(4)
C49 H49 . 0.9300
C50 H50 . 0.9300
O1 Mo3 . 1.9236(18)
O1 Mo2 . 1.9336(18)
O2 Mo2 . 1.6791(18)
O3 Mo1 . 1.9189(18)
O3 Mo2 . 1.933(2)
O4 Mo1 2_666 1.8939(18)
O4 Mo3 . 1.9571(19)
O5 Mo3 . 1.9086(19)
O5 Mo1 . 1.9574(18)
O6 Mo2 . 1.9238(18)
O6 Mo1 2_666 1.9293(18)
O7 Mo1 . 1.6849(19)
O8 Mo3 . 1.6811(19)
O10 Mo2 . 1.9174(19)
O10 Mo3 2_666 1.9238(18)
Mo1 O4 2_666 1.8939(18)
Mo1 O6 2_666 1.9293(18)
Mo1 O9 . 2.3248(11)
Mo2 O9 . 2.3096(5)
Mo3 O10 2_666 1.9238(18)
Mo3 O9 . 2.3165(7)
Cu1 P2 . 2.2327(9)
Cu1 P1 . 2.2866(10)
O9 Mo2 2_666 2.3096(5)
O9 Mo3 2_666 2.3165(7)
O9 Mo1 2_666 2.3248(11)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C19 H19 O3 1_655 0.93 2.60 3.446(3) 152 yes
C29 H29 O7 1_665 0.93 2.55 3.443(4) 161 yes
C30 H30A O8 2_676 0.93 2.41 3.257(5) 152 yes
C44 H44 O2 . 0.93 2.51 3.206(4) 132 yes
C49 H49 Cg8 2_665 0.93 2.97 3.782(5) 147 yes
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C6 N1 C2 C3 . . 0.3(4)
Cu1 N1 C2 C3 . . -169.11(19)
N1 C2 C3 C4 . . 0.9(4)
C2 C3 C4 C5 . . -0.1(4)
C3 C4 C5 C6 . . -1.8(4)
C3 C4 C5 C7 . . 178.2(3)
C2 N1 C6 C5 . . -2.3(3)
Cu1 N1 C6 C5 . . 169.06(18)
C2 N1 C6 C10 . . 178.9(2)
Cu1 N1 C6 C10 . . -9.7(3)
C4 C5 C6 N1 . . 3.1(4)
C7 C5 C6 N1 . . -176.9(2)
C4 C5 C6 C10 . . -178.2(2)
C7 C5 C6 C10 . . 1.8(4)
C4 C5 C7 C8 . . 178.3(3)
C6 C5 C7 C8 . . -1.7(4)
C5 C7 C8 C9 . . 0.2(4)
C7 C8 C9 C14 . . 179.5(3)
C7 C8 C9 C10 . . 1.2(4)
C14 C9 C10 N2 . . -0.8(3)
C8 C9 C10 N2 . . 177.6(2)
C14 C9 C10 C6 . . -179.4(2)
C8 C9 C10 C6 . . -1.0(3)
N1 C6 C10 N2 . . -0.3(3)
C5 C6 C10 N2 . . -179.1(2)
N1 C6 C10 C9 . . 178.3(2)
C5 C6 C10 C9 . . -0.5(3)
C9 C10 N2 C12 . . 0.8(3)
C6 C10 N2 C12 . . 179.4(2)
C9 C10 N2 Cu1 . . -168.51(18)
C6 C10 N2 Cu1 . . 10.1(2)
C10 N2 C12 C13 . . -0.2(4)
Cu1 N2 C12 C13 . . 166.7(2)
N2 C12 C13 C14 . . -0.2(4)
C12 C13 C14 C9 . . 0.2(4)
C10 C9 C14 C13 . . 0.4(4)
C8 C9 C14 C13 . . -177.9(3)
C20 C15 C16 C17 . . -0.5(4)
P1 C15 C16 C17 . . 169.2(2)
C15 C16 C17 C18 . . 0.4(4)
C16 C17 C18 C19 . . 0.3(5)
C17 C18 C19 C20 . . -1.1(4)
C18 C19 C20 C15 . . 1.0(4)
C16 C15 C20 C19 . . -0.2(4)
P1 C15 C20 C19 . . -170.1(2)
C26 C21 C22 C23 . . 1.8(5)
P1 C21 C22 C23 . . -174.2(3)
C21 C22 C23 C24 . . -0.2(5)
C22 C23 C24 C25 . . -0.4(6)
C23 C24 C25 C26 . . -0.7(6)
C22 C21 C26 C25 . . -2.9(5)
P1 C21 C26 C25 . . 173.3(3)
C24 C25 C26 C21 . . 2.4(5)
C32 C27 C28 C29 . . -0.1(4)
P1 C27 C28 C29 . . 179.1(2)
C27 C28 C29 C30 . . 0.5(5)
C38 C33 C34 C35 . . -0.1(5)
P2 C33 C34 C35 . . 179.0(3)
C33 C34 C35 C36 . . -0.7(5)
C28 C29 C30 C31 . . 0.1(5)
C34 C35 C36 C37 . . 1.1(6)
C29 C30 C31 C32 . . -1.0(5)
C28 C27 C32 C31 . . -0.8(4)
P1 C27 C32 C31 . . 179.9(2)
C30 C31 C32 C27 . . 1.4(4)
C35 C36 C37 C38 . . -0.7(6)
C34 C33 C38 C37 . . 0.5(5)
P2 C33 C38 C37 . . -178.5(3)
C36 C37 C38 C33 . . -0.1(6)
C44 C39 C40 C41 . . 0.4(4)
P2 C39 C40 C41 . . -176.0(2)
C39 C40 C41 C42 . . -0.9(5)
C40 C41 C42 C43 . . 1.1(5)
C41 C42 C43 C44 . . -1.0(5)
C42 C43 C44 C39 . . 0.6(5)
C40 C39 C44 C43 . . -0.3(4)
P2 C39 C44 C43 . . 176.3(2)
C50 C45 C46 C47 . . 0.7(4)
P2 C45 C46 C47 . . -176.6(2)
C45 C46 C47 C48 . . 0.0(5)
C46 C47 C48 C49 . . -0.8(5)
C47 C48 C49 C50 . . 0.8(6)
C46 C45 C50 C49 . . -0.6(5)
P2 C45 C50 C49 . . 176.8(3)
C48 C49 C50 C45 . . -0.1(6)
Mo2 O3 Mo1 O7 . . -179.51(10)
Mo2 O3 Mo1 O4 . 2_666 -75.53(10)
Mo2 O3 Mo1 O6 . 2_666 6.1(2)
Mo2 O3 Mo1 O5 . . 78.37(10)
Mo2 O3 Mo1 O9 . . 1.70(8)
Mo3 O5 Mo1 O7 . . -179.37(10)
Mo3 O5 Mo1 O4 . 2_666 2.3(2)
Mo3 O5 Mo1 O3 . . -76.52(10)
Mo3 O5 Mo1 O6 . 2_666 77.82(10)
Mo3 O5 Mo1 O9 . . 0.62(7)
Mo3 O10 Mo2 O2 2_666 . 177.90(10)
Mo3 O10 Mo2 O6 2_666 . 75.53(10)
Mo3 O10 Mo2 O3 2_666 . -78.75(10)
Mo3 O10 Mo2 O1 2_666 . -2.8(2)
Mo3 O10 Mo2 O9 2_666 . -1.66(7)
Mo1 O6 Mo2 O2 2_666 . 178.84(10)
Mo1 O6 Mo2 O10 2_666 . -78.08(10)
Mo1 O6 Mo2 O3 2_666 . 0.1(2)
Mo1 O6 Mo2 O1 2_666 . 76.19(10)
Mo1 O6 Mo2 O9 2_666 . -1.03(7)
Mo1 O3 Mo2 O2 . . 178.42(10)
Mo1 O3 Mo2 O10 . . 75.52(10)
Mo1 O3 Mo2 O6 . . -2.8(2)
Mo1 O3 Mo2 O1 . . -79.01(10)
Mo1 O3 Mo2 O9 . . -1.71(8)
Mo3 O1 Mo2 O2 . . 179.49(10)
Mo3 O1 Mo2 O10 . . 0.2(2)
Mo3 O1 Mo2 O6 . . -78.30(10)
Mo3 O1 Mo2 O3 . . 76.19(10)
Mo3 O1 Mo2 O9 . . -0.95(7)
Mo1 O5 Mo3 O8 . . 179.93(10)
Mo1 O5 Mo3 O1 . . 76.32(10)
Mo1 O5 Mo3 O10 . 2_666 -77.36(10)
Mo1 O5 Mo3 O4 . . -1.0(2)
Mo1 O5 Mo3 O9 . . -0.62(7)
Mo2 O1 Mo3 O8 . . 179.12(10)
Mo2 O1 Mo3 O5 . . -76.36(10)
Mo2 O1 Mo3 O10 . 2_666 5.2(2)
Mo2 O1 Mo3 O4 . . 77.79(10)
Mo2 O1 Mo3 O9 . . 0.95(7)
Mo1 O4 Mo3 O8 2_666 . 179.05(11)
Mo1 O4 Mo3 O5 2_666 . -0.1(2)
Mo1 O4 Mo3 O1 2_666 . -77.89(11)
Mo1 O4 Mo3 O10 2_666 2_666 76.73(11)
Mo1 O4 Mo3 O9 2_666 . -0.42(8)
C2 N1 Cu1 N2 . . -178.7(2)
C6 N1 Cu1 N2 . . 11.37(15)
C2 N1 Cu1 P2 . . -56.6(2)
C6 N1 Cu1 P2 . . 133.43(14)
C2 N1 Cu1 P1 . . 83.2(2)
C6 N1 Cu1 P1 . . -86.79(16)
C12 N2 Cu1 N1 . . -179.2(2)
C10 N2 Cu1 N1 . . -11.55(15)
C12 N2 Cu1 P2 . . 70.7(2)
C10 N2 Cu1 P2 . . -121.60(14)
C12 N2 Cu1 P1 . . -79.3(2)
C10 N2 Cu1 P1 . . 88.41(15)
C16 C15 P1 C27 . . 32.1(2)
C20 C15 P1 C27 . . -158.2(2)
C16 C15 P1 C21 . . 140.5(2)
C20 C15 P1 C21 . . -49.9(2)
C16 C15 P1 Cu1 . . -90.3(2)
C20 C15 P1 Cu1 . . 79.3(2)
C32 C27 P1 C15 . . -104.8(2)
C28 C27 P1 C15 . . 76.0(2)
C32 C27 P1 C21 . . 146.8(2)
C28 C27 P1 C21 . . -32.4(2)
C32 C27 P1 Cu1 . . 11.8(2)
C28 C27 P1 Cu1 . . -167.43(19)
C26 C21 P1 C15 . . 152.6(2)
C22 C21 P1 C15 . . -31.3(3)
C26 C21 P1 C27 . . -98.4(2)
C22 C21 P1 C27 . . 77.7(3)
C26 C21 P1 Cu1 . . 33.1(3)
C22 C21 P1 Cu1 . . -150.9(2)
N1 Cu1 P1 C15 . . 27.33(11)
N2 Cu1 P1 C15 . . -54.57(10)
P2 Cu1 P1 C15 . . 157.64(9)
N1 Cu1 P1 C27 . . -88.12(11)
N2 Cu1 P1 C27 . . -170.03(10)
P2 Cu1 P1 C27 . . 42.18(9)
N1 Cu1 P1 C21 . . 145.51(11)
N2 Cu1 P1 C21 . . 63.60(12)
P2 Cu1 P1 C21 . . -84.19(11)
C50 C45 P2 C33 . . 110.7(2)
C46 C45 P2 C33 . . -72.0(2)
C50 C45 P2 C39 . . -141.0(2)
C46 C45 P2 C39 . . 36.2(2)
C50 C45 P2 Cu1 . . -17.9(3)
C46 C45 P2 Cu1 . . 159.4(2)
C38 C33 P2 C45 . . 7.8(3)
C34 C33 P2 C45 . . -171.1(2)
C38 C33 P2 C39 . . -99.3(3)
C34 C33 P2 C39 . . 81.7(2)
C38 C33 P2 Cu1 . . 135.5(2)
C34 C33 P2 Cu1 . . -43.4(2)
C40 C39 P2 C45 . . -133.6(2)
C44 C39 P2 C45 . . 50.0(2)
C40 C39 P2 C33 . . -23.9(2)
C44 C39 P2 C33 . . 159.7(2)
C40 C39 P2 Cu1 . . 102.7(2)
C44 C39 P2 Cu1 . . -73.7(2)
N1 Cu1 P2 C45 . . -60.99(11)
N2 Cu1 P2 C45 . . 31.70(12)
P1 Cu1 P2 C45 . . 172.79(9)
N1 Cu1 P2 C33 . . 175.78(11)
N2 Cu1 P2 C33 . . -91.53(12)
P1 Cu1 P2 C33 . . 49.56(10)
N1 Cu1 P2 C39 . . 55.85(11)
N2 Cu1 P2 C39 . . 148.54(11)
P1 Cu1 P2 C39 . . -70.38(9)
O2 Mo2 O9 Mo2 . 2_666 -1E1(10)
O10 Mo2 O9 Mo2 . 2_666 10E1(10)
O6 Mo2 O9 Mo2 . 2_666 1E1(10)
O3 Mo2 O9 Mo2 . 2_666 -17E1(10)
O1 Mo2 O9 Mo2 . 2_666 -8E1(10)
O2 Mo2 O9 Mo3 . 2_666 -106(10)
O10 Mo2 O9 Mo3 . 2_666 1.23(5)
O6 Mo2 O9 Mo3 . 2_666 -89.40(6)
O3 Mo2 O9 Mo3 . 2_666 91.10(6)
O1 Mo2 O9 Mo3 . 2_666 -179.29(5)
O2 Mo2 O9 Mo3 . . 74(10)
O10 Mo2 O9 Mo3 . . -178.77(5)
O6 Mo2 O9 Mo3 . . 90.60(6)
O3 Mo2 O9 Mo3 . . -88.90(6)
O1 Mo2 O9 Mo3 . . 0.71(5)
O2 Mo2 O9 Mo1 . 2_666 -16(10)
O10 Mo2 O9 Mo1 . 2_666 91.39(6)
O6 Mo2 O9 Mo1 . 2_666 0.76(6)
O3 Mo2 O9 Mo1 . 2_666 -178.74(6)
O1 Mo2 O9 Mo1 . 2_666 -89.13(6)
O2 Mo2 O9 Mo1 . . 16E1(3)
O10 Mo2 O9 Mo1 . . -88.61(6)
O6 Mo2 O9 Mo1 . . -179.24(6)
O3 Mo2 O9 Mo1 . . 1.26(6)
O1 Mo2 O9 Mo1 . . 90.87(6)
O8 Mo3 O9 Mo2 . . -106(2)
O5 Mo3 O9 Mo2 . . 90.49(6)
O1 Mo3 O9 Mo2 . . -0.71(5)
O10 Mo3 O9 Mo2 2_666 . -178.77(5)
O4 Mo3 O9 Mo2 . . -89.67(6)
O8 Mo3 O9 Mo2 . 2_666 74(2)
O5 Mo3 O9 Mo2 . 2_666 -89.51(6)
O1 Mo3 O9 Mo2 . 2_666 179.29(5)
O10 Mo3 O9 Mo2 2_666 2_666 1.23(5)
O4 Mo3 O9 Mo2 . 2_666 90.33(6)
O8 Mo3 O9 Mo3 . 2_666 6E1(10)
O5 Mo3 O9 Mo3 . 2_666 -10E1(10)
O1 Mo3 O9 Mo3 . 2_666 17E1(10)
O10 Mo3 O9 Mo3 2_666 2_666 -1E1(10)
O4 Mo3 O9 Mo3 . 2_666 8E1(10)
O8 Mo3 O9 Mo1 . 2_666 -16(2)
O5 Mo3 O9 Mo1 . 2_666 -179.53(6)
O1 Mo3 O9 Mo1 . 2_666 89.27(6)
O10 Mo3 O9 Mo1 2_666 2_666 -88.79(6)
O4 Mo3 O9 Mo1 . 2_666 0.30(6)
O8 Mo3 O9 Mo1 . . 164(2)
O5 Mo3 O9 Mo1 . . 0.47(6)
O1 Mo3 O9 Mo1 . . -90.73(6)
O10 Mo3 O9 Mo1 2_666 . 91.21(6)
O4 Mo3 O9 Mo1 . . -179.70(6)
O7 Mo1 O9 Mo2 . . -90(4)
O4 Mo1 O9 Mo2 2_666 . 90.22(6)
O3 Mo1 O9 Mo2 . . -1.27(6)
O6 Mo1 O9 Mo2 2_666 . -179.24(5)
O5 Mo1 O9 Mo2 . . -90.55(6)
O7 Mo1 O9 Mo2 . 2_666 90(4)
O4 Mo1 O9 Mo2 2_666 2_666 -89.78(6)
O3 Mo1 O9 Mo2 . 2_666 178.73(6)
O6 Mo1 O9 Mo2 2_666 2_666 0.76(5)
O5 Mo1 O9 Mo2 . 2_666 89.45(6)
O7 Mo1 O9 Mo3 . 2_666 18E1(10)
O4 Mo1 O9 Mo3 2_666 2_666 0.31(6)
O3 Mo1 O9 Mo3 . 2_666 -91.18(6)
O6 Mo1 O9 Mo3 2_666 2_666 90.85(6)
O5 Mo1 O9 Mo3 . 2_666 179.54(5)
O7 Mo1 O9 Mo3 . . 0(4)
O4 Mo1 O9 Mo3 2_666 . -179.69(6)
O3 Mo1 O9 Mo3 . . 88.82(6)
O6 Mo1 O9 Mo3 2_666 . -89.15(6)
O5 Mo1 O9 Mo3 . . -0.46(5)
O7 Mo1 O9 Mo1 . 2_666 9E1(10)
O4 Mo1 O9 Mo1 2_666 2_666 -9E1(10)
O3 Mo1 O9 Mo1 . 2_666 18E1(10)
O6 Mo1 O9 Mo1 2_666 2_666 -0E1(10)
O5 Mo1 O9 Mo1 . 2_666 9E1(10)
