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# 
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#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_CCDC948004[Ge8(Mo(CO)3)2]4-

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H80 Ge8 K4 Mo2 N2 O24'
_chemical_formula_weight         1950.10

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   13.497(4)
_cell_length_b                   30.191(9)
_cell_length_c                   18.400(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 109.848(6)
_cell_angle_gamma                90.00
_cell_volume                     7052(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    14788
_cell_measurement_theta_min      2.1211
_cell_measurement_theta_max      27.5283

_exptl_crystal_description       plate
_exptl_crystal_colour            'Dark red'
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3864
_exptl_absorpt_coefficient_mu    4.005
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.3796
_exptl_absorpt_correction_T_max  0.6902
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 14.6306
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            53885
_diffrn_reflns_av_R_equivalents  0.0574
_diffrn_reflns_av_sigmaI/netI    0.0648
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.35
_diffrn_reflns_theta_max         27.32
_reflns_number_total             15365
_reflns_number_gt                13152
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Diamond 3.0'
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0408P)²+23.0701P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15365
_refine_ls_number_parameters     757
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0515
_refine_ls_wR_factor_ref         0.1165
_refine_ls_wR_factor_gt          0.1109
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo -0.04567(3) 0.092592(14) 0.67533(2) 0.01812(10) Uani 1 1 d . . .
Mo2 Mo 0.20412(3) 0.055515(14) 0.72906(2) 0.01732(10) Uani 1 1 d . . .
Ge1 Ge 0.12392(4) 0.132916(17) 0.66234(3) 0.01901(12) Uani 1 1 d . . .
Ge2 Ge 0.30357(4) 0.140210(19) 0.77919(3) 0.02287(12) Uani 1 1 d . . .
Ge3 Ge 0.07817(4) 0.062293(19) 0.80929(3) 0.02365(13) Uani 1 1 d . . .
Ge4 Ge 0.24661(5) 0.10304(2) 0.88421(3) 0.02717(13) Uani 1 1 d . . .
Ge5 Ge 0.19158(5) 0.211789(19) 0.72491(3) 0.03027(14) Uani 1 1 d . . .
Ge6 Ge 0.00253(5) 0.183351(19) 0.71445(3) 0.02780(13) Uani 1 1 d . . .
Ge7 Ge 0.18273(5) 0.18595(2) 0.85386(3) 0.02998(14) Uani 1 1 d . . .
Ge8 Ge 0.01307(5) 0.13780(2) 0.83549(3) 0.02946(14) Uani 1 1 d . . .
K1 K -0.01744(10) -0.02072(4) 0.58963(6) 0.0247(2) Uani 1 1 d . . .
K2 K 0.55343(9) 0.11761(4) 0.92129(6) 0.0272(2) Uani 1 1 d . . .
K3 K -0.44022(9) 0.15119(4) 0.48463(6) 0.0296(3) Uani 1 1 d . . .
K4 K -0.02655(10) -0.08604(5) 0.78285(6) 0.0340(3) Uani 1 1 d . . .
O1 O 0.0727(3) -0.06625(13) 0.49527(19) 0.0287(8) Uani 1 1 d . . .
O2 O -0.1387(3) 0.00050(13) 0.7016(2) 0.0375(10) Uani 1 1 d . . .
O3 O -0.2657(3) 0.14054(13) 0.6173(2) 0.0304(9) Uani 1 1 d . . .
O4 O -0.1692(3) -0.03618(13) 0.44522(19) 0.0286(8) Uani 1 1 d . . .
O5 O 0.1389(3) -0.04356(12) 0.7437(2) 0.0317(9) Uani 1 1 d . . .
O6 O 0.4471(3) 0.03457(17) 0.7907(3) 0.0508(13) Uani 1 1 d . . .
O7 O 0.7051(3) 0.04765(13) 0.9288(2) 0.0369(9) Uani 1 1 d . . .
O8 O 0.6032(3) 0.05472(14) 1.0411(2) 0.0419(10) Uani 1 1 d . . .
O9 O 0.5421(4) 0.13882(16) 1.0832(2) 0.0442(11) Uani 1 1 d . . .
O10 O 0.5139(4) 0.20461(14) 0.9718(2) 0.0431(11) Uani 1 1 d . . .
O11 O 0.6150(3) 0.19841(13) 0.8631(2) 0.0349(9) Uani 1 1 d . . .
O12 O 0.6671(3) 0.11298(14) 0.8162(2) 0.0348(9) Uani 1 1 d . . .
O13 O -0.3586(3) 0.06988(14) 0.4472(2) 0.0371(9) Uani 1 1 d . . .
O14 O -0.4669(3) 0.06468(13) 0.5544(2) 0.0313(9) Uani 1 1 d . . .
O15 O -0.5523(3) 0.14529(14) 0.5901(2) 0.0341(9) Uani 1 1 d . . .
O16 O -0.6273(3) 0.20869(13) 0.4728(2) 0.0352(9) Uani 1 1 d . . .
O17 O -0.5357(3) 0.20822(13) 0.3580(2) 0.0350(9) Uani 1 1 d . . .
O18 O -0.4270(3) 0.13314(14) 0.3289(2) 0.0358(9) Uani 1 1 d . . .
O19 O -0.1222(4) -0.09381(16) 0.6238(2) 0.0448(11) Uani 1 1 d . . .
O20 O 0.0382(4) -0.15575(15) 0.7014(2) 0.0454(11) Uani 1 1 d . . .
O21 O 0.0978(4) -0.16814(17) 0.8654(3) 0.0519(12) Uani 1 1 d . . .
O22 O 0.0736(4) -0.08795(15) 0.9392(2) 0.0450(11) Uani 1 1 d . . .
O23 O -0.1523(4) -0.07460(15) 0.8715(2) 0.0434(11) Uani 1 1 d . . .
O24 O -0.2463(4) -0.11314(18) 0.7235(3) 0.0580(14) Uani 1 1 d . . .
C1 C -0.0621(4) 0.07769(16) 0.5689(3) 0.0216(10) Uani 1 1 d . . .
C2 C -0.1070(4) 0.03607(18) 0.6920(3) 0.0256(11) Uani 1 1 d . . .
C3 C -0.1810(4) 0.12318(17) 0.6412(3) 0.0218(10) Uani 1 1 d . . .
C4 C 0.1862(4) 0.04424(16) 0.6206(3) 0.0210(10) Uani 1 1 d . . .
C5 C 0.1679(4) -0.00630(18) 0.7412(3) 0.0246(11) Uani 1 1 d . . .
C6 C 0.3561(5) 0.04280(19) 0.7672(3) 0.0299(12) Uani 1 1 d . . .
C7 C 0.6778(6) 0.0100(2) 0.9668(4) 0.0508(18) Uani 1 1 d . . .
H7A H 0.7262 -0.0142 0.9693 0.061 Uiso 1 1 calc R . .
H7B H 0.6072 0.0000 0.9373 0.061 Uiso 1 1 calc R . .
C8 C 0.6828(6) 0.0222(2) 1.0465(4) 0.0511(18) Uani 1 1 d . . .
H8A H 0.6712 -0.0038 1.0735 0.061 Uiso 1 1 calc R . .
H8B H 0.7518 0.0342 1.0751 0.061 Uiso 1 1 calc R . .
C9 C 0.5974(6) 0.0645(2) 1.1168(4) 0.0486(18) Uani 1 1 d . . .
H9A H 0.6643 0.0761 1.1503 0.058 Uiso 1 1 calc R . .
H9B H 0.5817 0.0377 1.1399 0.058 Uiso 1 1 calc R . .
C10 C 0.5128(6) 0.0979(3) 1.1074(4) 0.0519(19) Uani 1 1 d . . .
H10A H 0.4477 0.0875 1.0694 0.062 Uiso 1 1 calc R . .
H10B H 0.5009 0.1018 1.1561 0.062 Uiso 1 1 calc R . .
C11 C 0.4619(6) 0.1719(3) 1.0692(4) 0.054(2) Uani 1 1 d . . .
H11A H 0.4459 0.1773 1.1160 0.065 Uiso 1 1 calc R . .
H11B H 0.3981 0.1619 1.0294 0.065 Uiso 1 1 calc R . .
C12 C 0.5004(7) 0.2140(3) 1.0436(4) 0.061(2) Uani 1 1 d . . .
H12A H 0.4494 0.2376 1.0375 0.073 Uiso 1 1 calc R . .
H12B H 0.5667 0.2232 1.0816 0.073 Uiso 1 1 calc R . .
C13 C 0.5446(6) 0.2432(2) 0.9407(5) 0.0512(18) Uani 1 1 d . . .
H13A H 0.6153 0.2519 0.9724 0.061 Uiso 1 1 calc R . .
H13B H 0.4971 0.2675 0.9402 0.061 Uiso 1 1 calc R . .
C14 C 0.5413(6) 0.2334(2) 0.8597(4) 0.0506(18) Uani 1 1 d . . .
H14A H 0.4709 0.2243 0.8281 0.061 Uiso 1 1 calc R . .
H14B H 0.5598 0.2596 0.8368 0.061 Uiso 1 1 calc R . .
C15 C 0.6179(6) 0.1890(2) 0.7871(3) 0.0469(18) Uani 1 1 d . . .
H15A H 0.6350 0.2157 0.7647 0.056 Uiso 1 1 calc R . .
H15B H 0.5493 0.1788 0.7540 0.056 Uiso 1 1 calc R . .
C16 C 0.6989(6) 0.1541(2) 0.7923(4) 0.0453(17) Uani 1 1 d . . .
H16A H 0.7073 0.1505 0.7423 0.054 Uiso 1 1 calc R . .
H16B H 0.7662 0.1632 0.8292 0.054 Uiso 1 1 calc R . .
C17 C 0.7415(5) 0.0777(2) 0.8210(4) 0.0446(17) Uani 1 1 d . . .
H17A H 0.8114 0.0869 0.8535 0.054 Uiso 1 1 calc R . .
H17B H 0.7435 0.0712 0.7699 0.054 Uiso 1 1 calc R . .
C18 C 0.7090(5) 0.0368(2) 0.8547(4) 0.0420(15) Uani 1 1 d . . .
H18A H 0.6404 0.0267 0.8213 0.050 Uiso 1 1 calc R . .
H18B H 0.7595 0.0132 0.8592 0.050 Uiso 1 1 calc R . .
C19 C -0.3723(5) 0.0290(2) 0.4817(4) 0.0409(15) Uani 1 1 d . . .
H19A H -0.3138 0.0093 0.4857 0.049 Uiso 1 1 calc R . .
H19B H -0.4368 0.0147 0.4497 0.049 Uiso 1 1 calc R . .
C20 C -0.3774(5) 0.0379(2) 0.5607(4) 0.0383(14) Uani 1 1 d . . .
H20A H -0.3822 0.0101 0.5858 0.046 Uiso 1 1 calc R . .
H20B H -0.3137 0.0530 0.5920 0.046 Uiso 1 1 calc R . .
C21 C -0.4699(5) 0.0750(2) 0.6297(3) 0.0391(15) Uani 1 1 d . . .
H21A H -0.4056 0.0902 0.6595 0.047 Uiso 1 1 calc R . .
H21B H -0.4744 0.0478 0.6565 0.047 Uiso 1 1 calc R . .
C22 C -0.5631(5) 0.1038(2) 0.6233(3) 0.0372(14) Uani 1 1 d . . .
H22A H -0.6272 0.0893 0.5913 0.045 Uiso 1 1 calc R . .
H22B H -0.5679 0.1085 0.6741 0.045 Uiso 1 1 calc R . .
C23 C -0.6371(5) 0.1749(2) 0.5863(3) 0.0389(15) Uani 1 1 d . . .
H23A H -0.6382 0.1804 0.6380 0.047 Uiso 1 1 calc R . .
H23B H -0.7037 0.1614 0.5563 0.047 Uiso 1 1 calc R . .
C24 C -0.6241(5) 0.2178(2) 0.5497(3) 0.0389(14) Uani 1 1 d . . .
H24A H -0.6802 0.2381 0.5488 0.047 Uiso 1 1 calc R . .
H24B H -0.5573 0.2314 0.5791 0.047 Uiso 1 1 calc R . .
C25 C -0.6219(5) 0.2482(2) 0.4307(4) 0.0415(15) Uani 1 1 d . . .
H25A H -0.5574 0.2641 0.4575 0.050 Uiso 1 1 calc R . .
H25B H -0.6810 0.2673 0.4272 0.050 Uiso 1 1 calc R . .
C26 C -0.6244(5) 0.2355(2) 0.3512(3) 0.0417(15) Uani 1 1 d . . .
H26A H -0.6889 0.2197 0.3244 0.050 Uiso 1 1 calc R . .
H26B H -0.6222 0.2620 0.3218 0.050 Uiso 1 1 calc R . .
C27 C -0.5256(5) 0.1995(2) 0.2846(3) 0.0381(14) Uani 1 1 d . . .
H27A H -0.5271 0.2270 0.2572 0.046 Uiso 1 1 calc R . .
H27B H -0.5838 0.1812 0.2537 0.046 Uiso 1 1 calc R . .
C28 C -0.4225(6) 0.1758(2) 0.2971(4) 0.0447(16) Uani 1 1 d . . .
H28A H -0.4102 0.1728 0.2483 0.054 Uiso 1 1 calc R . .
H28B H -0.3649 0.1927 0.3321 0.054 Uiso 1 1 calc R . .
C29 C -0.3322(5) 0.1079(2) 0.3422(4) 0.0448(16) Uani 1 1 d . . .
H29A H -0.2728 0.1235 0.3782 0.054 Uiso 1 1 calc R . .
H29B H -0.3187 0.1041 0.2941 0.054 Uiso 1 1 calc R . .
C30 C -0.3455(5) 0.0631(2) 0.3751(4) 0.0417(15) Uani 1 1 d . . .
H30A H -0.4065 0.0480 0.3401 0.050 Uiso 1 1 calc R . .
H30B H -0.2839 0.0449 0.3816 0.050 Uiso 1 1 calc R . .
C31 C -0.0892(6) -0.1281(2) 0.5849(4) 0.0492(17) Uani 1 1 d U . .
C32 C 0.0278(6) -0.1369(2) 0.6278(4) 0.0493(17) Uani 1 1 d U . .
H32A H 0.0551 -0.1572 0.5983 0.059 Uiso 1 1 calc R . .
H32B H 0.0672 -0.1095 0.6346 0.059 Uiso 1 1 calc R . .
C33 C 0.1419(6) -0.1684(2) 0.7465(4) 0.0519(18) Uani 1 1 d . . .
H33A H 0.1854 -0.1423 0.7638 0.062 Uiso 1 1 calc R . .
H33B H 0.1725 -0.1863 0.7158 0.062 Uiso 1 1 calc R . .
C34 C 0.1375(7) -0.1947(2) 0.8159(4) 0.0537(19) Uani 1 1 d . . .
H34A H 0.0923 -0.2203 0.7980 0.064 Uiso 1 1 calc R . .
H34B H 0.2075 -0.2053 0.8452 0.064 Uiso 1 1 calc R . .
C35 C 0.1775(5) -0.1502(2) 0.9293(4) 0.0439(16) Uani 1 1 d . . .
H35A H 0.2202 -0.1297 0.9121 0.053 Uiso 1 1 calc R . .
H35B H 0.2228 -0.1737 0.9586 0.053 Uiso 1 1 calc R . .
C36 C 0.1265(5) -0.1267(2) 0.9788(3) 0.0400(15) Uani 1 1 d . . .
H36A H 0.0764 -0.1461 0.9900 0.048 Uiso 1 1 calc R . .
H36B H 0.1795 -0.1182 1.0274 0.048 Uiso 1 1 calc R . .
C37 C 0.0117(6) -0.0648(3) 0.9767(4) 0.0515(18) Uani 1 1 d . . .
C38 C -0.1008(5) -0.0836(2) 0.9540(3) 0.0465(17) Uani 1 1 d . . .
H38A H -0.0987 -0.1152 0.9637 0.056 Uiso 1 1 calc R . .
H38B H -0.1390 -0.0694 0.9837 0.056 Uiso 1 1 calc R . .
C39 C -0.2566(5) -0.0892(2) 0.8417(4) 0.0470(16) Uani 1 1 d . . .
H39A H -0.2989 -0.0728 0.8660 0.056 Uiso 1 1 calc R . .
H39B H -0.2597 -0.1203 0.8538 0.056 Uiso 1 1 calc R . .
C40 C -0.3008(6) -0.0830(2) 0.7570(4) 0.0535(18) Uani 1 1 d . . .
H40A H -0.3757 -0.0893 0.7383 0.064 Uiso 1 1 calc R . .
H40B H -0.2903 -0.0527 0.7435 0.064 Uiso 1 1 calc R . .
C41 C -0.2844(8) -0.1151(5) 0.6430(5) 0.103(4) Uani 1 1 d . . .
H41A H -0.3588 -0.1079 0.6262 0.124 Uiso 1 1 calc R . .
H41B H -0.2791 -0.1457 0.6285 0.124 Uiso 1 1 calc R . .
C42 C -0.2390(6) -0.0887(3) 0.5997(4) 0.069(3) Uani 1 1 d . . .
H42A H -0.2555 -0.0579 0.6052 0.082 Uiso 1 1 calc R . .
H42B H -0.2701 -0.0964 0.5455 0.082 Uiso 1 1 calc R . .
C43 C -0.3101(8) 0.2708(4) 0.5676(6) 0.086(3) Uani 1 1 d . . .
H43A H -0.2508 0.2909 0.5789 0.104 Uiso 1 1 calc R . .
H43B H -0.3732 0.2870 0.5384 0.104 Uiso 1 1 calc R . .
C44 C -0.3201(8) 0.2551(3) 0.6400(5) 0.080(3) Uani 1 1 d . . .
H44A H -0.2522 0.2445 0.6736 0.096 Uiso 1 1 calc R . .
H44B H -0.3690 0.2304 0.6292 0.096 Uiso 1 1 calc R . .
N1 N -0.2939(6) 0.2318(2) 0.5185(4) 0.0669(19) Uani 1 1 d . . .
N2 N -0.3601(6) 0.2924(2) 0.6830(4) 0.0707(19) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 C1 1.947(5) . ?
Mo1 C3 1.951(5) . ?
Mo1 C2 1.966(6) . ?
Mo1 Ge3 2.6284(9) . ?
Mo1 Ge1 2.6739(9) . ?
Mo1 Ge6 2.8516(10) . ?
Mo1 K1 3.8398(15) . ?
Mo2 C4 1.957(5) . ?
Mo2 C5 1.961(6) . ?
Mo2 C6 1.967(6) . ?
Mo2 Ge3 2.6106(9) . ?
Mo2 Ge1 2.6902(9) . ?
Mo2 Ge2 2.8897(10) . ?
Mo2 Ge4 3.0702(10) . ?
Mo2 K1 3.9512(14) . ?
Ge1 Ge6 2.6437(9) . ?
Ge1 Ge2 2.6476(10) . ?
Ge1 Ge5 2.6676(10) . ?
Ge2 Ge4 2.5676(9) . ?
Ge2 Ge5 2.6319(10) . ?
Ge2 Ge7 2.8242(9) . ?
Ge2 K2 3.5619(15) . ?
Ge3 Ge4 2.5405(10) . ?
Ge3 Ge8 2.5475(10) . ?
Ge4 Ge7 2.6446(11) . ?
Ge4 K2 3.9861(18) . ?
Ge5 Ge7 2.5386(11) . ?
Ge5 Ge6 2.6366(11) . ?
Ge6 Ge8 2.5800(11) . ?
Ge6 Ge7 2.8749(11) . ?
Ge7 Ge8 2.6354(11) . ?
K1 O4 2.789(4) . ?
K1 O1 2.796(4) . ?
K1 O19 2.805(5) . ?
K1 O5 2.983(4) . ?
K1 O1 3.017(4) 3_556 ?
K1 C1 3.030(5) . ?
K1 C5 3.080(5) . ?
K1 C2 3.081(5) . ?
K1 O2 3.102(4) . ?
K1 C4 3.265(5) . ?
K1 O4 3.287(4) 3_556 ?
K1 C31 3.377(7) . ?
K2 O8 2.813(4) . ?
K2 O12 2.850(4) . ?
K2 O10 2.896(4) . ?
K2 O11 2.897(4) . ?
K2 O7 2.912(4) . ?
K2 O9 3.101(4) . ?
K3 O3 2.776(4) . ?
K3 O17 2.832(4) . ?
K3 O15 2.841(4) . ?
K3 O13 2.869(4) . ?
K3 O18 2.981(4) . ?
K3 O14 2.986(4) . ?
K3 O16 3.010(4) . ?
K3 N1 3.062(7) . ?
K4 O22 2.732(4) . ?
K4 O23 2.745(4) . ?
K4 O19 2.779(4) . ?
K4 O5 2.871(4) . ?
K4 O20 2.886(5) . ?
K4 O24 2.908(5) . ?
K4 O21 3.088(5) . ?
K4 O2 3.133(4) . ?
K4 C37 3.486(7) . ?
K4 C32 3.530(6) . ?
O1 C1 1.192(6) 3_556 ?
O1 K1 3.017(4) 3_556 ?
O2 C2 1.191(7) . ?
O3 C3 1.196(6) . ?
O4 C4 1.179(6) 3_556 ?
O4 K1 3.287(4) 3_556 ?
O5 C5 1.197(6) . ?
O6 C6 1.182(7) . ?
O7 C18 1.421(7) . ?
O7 C7 1.448(8) . ?
O8 C8 1.434(8) . ?
O8 C9 1.451(8) . ?
O9 C10 1.416(8) . ?
O9 C11 1.431(8) . ?
O10 C13 1.421(8) . ?
O10 C12 1.422(8) . ?
O11 C14 1.437(8) . ?
O11 C15 1.440(7) . ?
O12 C16 1.432(7) . ?
O12 C17 1.445(7) . ?
O13 C30 1.411(7) . ?
O13 C19 1.429(7) . ?
O14 C20 1.426(7) . ?
O14 C21 1.433(7) . ?
O15 C22 1.422(7) . ?
O15 C23 1.436(7) . ?
O16 C24 1.427(6) . ?
O16 C25 1.436(7) . ?
O17 C26 1.424(8) . ?
O17 C27 1.427(7) . ?
O18 C28 1.424(7) . ?
O18 C29 1.437(8) . ?
O19 C31 1.414(8) . ?
O19 C42 1.494(9) . ?
O20 C33 1.416(9) . ?
O20 C32 1.431(7) . ?
O21 C35 1.405(8) . ?
O21 C34 1.447(8) . ?
O22 C36 1.433(7) . ?
O22 C37 1.434(8) . ?
O23 C39 1.397(8) . ?
O23 C38 1.465(7) . ?
O24 C41 1.395(10) . ?
O24 C40 1.435(9) . ?
C1 O1 1.192(6) 3_556 ?
C4 O4 1.179(6) 3_556 ?
C7 C8 1.491(10) . ?
C9 C10 1.488(10) . ?
C11 C12 1.507(11) . ?
C13 C14 1.506(10) . ?
C15 C16 1.497(10) . ?
C17 C18 1.512(10) . ?
C19 C20 1.504(9) . ?
C21 C22 1.500(9) . ?
C23 C24 1.499(9) . ?
C25 C26 1.501(9) . ?
C27 C28 1.511(9) . ?
C29 C30 1.518(9) . ?
C31 C32 1.529(11) . ?
C33 C34 1.522(10) . ?
C35 C36 1.495(9) . ?
C37 C38 1.540(10) . ?
C39 C40 1.480(10) . ?
C41 C42 1.406(11) . ?
C43 C44 1.464(12) . ?
C43 N1 1.544(12) . ?
C44 N2 1.574(12) . ?

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 Mo1 C3 90.6(2) . . ?
C1 Mo1 C2 92.6(2) . . ?
C3 Mo1 C2 93.6(2) . . ?
C1 Mo1 Ge3 132.98(15) . . ?
C3 Mo1 Ge3 133.99(13) . . ?
C2 Mo1 Ge3 73.67(15) . . ?
C1 Mo1 Ge1 79.87(15) . . ?
C3 Mo1 Ge1 119.48(15) . . ?
C2 Mo1 Ge1 145.88(15) . . ?
Ge3 Mo1 Ge1 87.20(3) . . ?
C1 Mo1 Ge6 114.48(15) . . ?
C3 Mo1 Ge6 74.62(15) . . ?
C2 Mo1 Ge6 150.10(14) . . ?
Ge3 Mo1 Ge6 94.58(2) . . ?
Ge1 Mo1 Ge6 57.060(19) . . ?
C1 Mo1 K1 51.27(15) . . ?
C3 Mo1 K1 120.15(14) . . ?
C2 Mo1 K1 52.87(14) . . ?
Ge3 Mo1 K1 87.41(3) . . ?
Ge1 Mo1 K1 99.30(3) . . ?
Ge6 Mo1 K1 156.05(3) . . ?
C4 Mo2 C5 90.1(2) . . ?
C4 Mo2 C6 94.7(2) . . ?
C5 Mo2 C6 92.5(2) . . ?
C4 Mo2 Ge3 135.37(15) . . ?
C5 Mo2 Ge3 77.00(15) . . ?
C6 Mo2 Ge3 127.86(16) . . ?
C4 Mo2 Ge1 78.14(14) . . ?
C5 Mo2 Ge1 143.25(15) . . ?
C6 Mo2 Ge1 122.79(16) . . ?
Ge3 Mo2 Ge1 87.23(2) . . ?
C4 Mo2 Ge2 111.26(15) . . ?
C5 Mo2 Ge2 155.87(14) . . ?
C6 Mo2 Ge2 75.15(17) . . ?
Ge3 Mo2 Ge2 94.08(2) . . ?
Ge1 Mo2 Ge2 56.52(3) . . ?
C4 Mo2 Ge4 161.62(14) . . ?
C5 Mo2 Ge4 108.32(14) . . ?
C6 Mo2 Ge4 85.21(17) . . ?
Ge3 Mo2 Ge4 52.37(2) . . ?
Ge1 Mo2 Ge4 86.42(3) . . ?
Ge2 Mo2 Ge4 50.929(17) . . ?
C4 Mo2 K1 55.41(15) . . ?
C5 Mo2 K1 49.94(14) . . ?
C6 Mo2 K1 125.84(17) . . ?
Ge3 Mo2 K1 85.31(3) . . ?
Ge1 Mo2 K1 96.38(3) . . ?
Ge2 Mo2 K1 152.85(2) . . ?
Ge4 Mo2 K1 137.50(2) . . ?
Ge6 Ge1 Ge2 99.61(3) . . ?
Ge6 Ge1 Ge5 59.52(3) . . ?
Ge2 Ge1 Ge5 59.36(2) . . ?
Ge6 Ge1 Mo1 64.86(3) . . ?
Ge2 Ge1 Mo1 122.75(3) . . ?
Ge5 Ge1 Mo1 123.08(3) . . ?
Ge6 Ge1 Mo2 122.53(3) . . ?
Ge2 Ge1 Mo2 65.55(2) . . ?
Ge5 Ge1 Mo2 123.55(3) . . ?
Mo1 Ge1 Mo2 77.74(3) . . ?
Ge4 Ge2 Ge5 111.37(3) . . ?
Ge4 Ge2 Ge1 98.58(3) . . ?
Ge5 Ge2 Ge1 60.70(2) . . ?
Ge4 Ge2 Ge7 58.51(3) . . ?
Ge5 Ge2 Ge7 55.32(3) . . ?
Ge1 Ge2 Ge7 85.12(3) . . ?
Ge4 Ge2 Mo2 68.17(2) . . ?
Ge5 Ge2 Mo2 117.44(3) . . ?
Ge1 Ge2 Mo2 57.936(19) . . ?
Ge7 Ge2 Mo2 107.80(3) . . ?
Ge4 Ge2 K2 79.32(3) . . ?
Ge5 Ge2 K2 135.60(3) . . ?
Ge1 Ge2 K2 163.32(3) . . ?
Ge7 Ge2 K2 107.20(3) . . ?
Mo2 Ge2 K2 106.63(3) . . ?
Ge4 Ge3 Ge8 76.50(3) . . ?
Ge4 Ge3 Mo2 73.16(3) . . ?
Ge8 Ge3 Mo2 120.65(3) . . ?
Ge4 Ge3 Mo1 120.48(3) . . ?
Ge8 Ge3 Mo1 73.48(3) . . ?
Mo2 Ge3 Mo1 79.97(3) . . ?
Ge3 Ge4 Ge2 104.17(3) . . ?
Ge3 Ge4 Ge7 100.16(3) . . ?
Ge2 Ge4 Ge7 65.60(2) . . ?
Ge3 Ge4 Mo2 54.47(2) . . ?
Ge2 Ge4 Mo2 60.90(3) . . ?
Ge7 Ge4 Mo2 107.55(3) . . ?
Ge3 Ge4 K2 146.36(3) . . ?
Ge2 Ge4 K2 61.41(3) . . ?
Ge7 Ge4 K2 100.19(3) . . ?
Mo2 Ge4 K2 93.78(2) . . ?
Ge7 Ge5 Ge2 66.19(2) . . ?
Ge7 Ge5 Ge6 67.46(2) . . ?
Ge2 Ge5 Ge6 100.20(3) . . ?
Ge7 Ge5 Ge1 90.64(3) . . ?
Ge2 Ge5 Ge1 59.94(3) . . ?
Ge6 Ge5 Ge1 59.79(2) . . ?
Ge8 Ge6 Ge5 110.01(3) . . ?
Ge8 Ge6 Ge1 98.44(3) . . ?
Ge5 Ge6 Ge1 60.69(3) . . ?
Ge8 Ge6 Mo1 69.31(3) . . ?
Ge5 Ge6 Mo1 117.61(3) . . ?
Ge1 Ge6 Mo1 58.08(2) . . ?
Ge8 Ge6 Ge7 57.47(3) . . ?
Ge5 Ge6 Ge7 54.64(3) . . ?
Ge1 Ge6 Ge7 84.18(3) . . ?
Mo1 Ge6 Ge7 107.63(2) . . ?
Ge5 Ge7 Ge8 111.36(3) . . ?
Ge5 Ge7 Ge4 111.89(3) . . ?
Ge8 Ge7 Ge4 73.25(3) . . ?
Ge5 Ge7 Ge2 58.49(3) . . ?
Ge8 Ge7 Ge2 106.74(3) . . ?
Ge4 Ge7 Ge2 55.89(2) . . ?
Ge5 Ge7 Ge6 57.89(3) . . ?
Ge8 Ge7 Ge6 55.63(3) . . ?
Ge4 Ge7 Ge6 106.20(3) . . ?
Ge2 Ge7 Ge6 90.34(3) . . ?
Ge3 Ge8 Ge6 103.60(3) . . ?
Ge3 Ge8 Ge7 100.22(3) . . ?
Ge6 Ge8 Ge7 66.89(3) . . ?
O4 K1 O1 70.11(11) . . ?
O4 K1 O19 79.57(12) . . ?
O1 K1 O19 96.38(13) . . ?
O4 K1 O5 156.96(11) . . ?
O1 K1 O5 99.21(11) . . ?
O19 K1 O5 81.53(12) . . ?
O4 K1 O1 71.32(11) . 3_556 ?
O1 K1 O1 100.93(10) . 3_556 ?
O19 K1 O1 138.26(13) . 3_556 ?
O5 K1 O1 131.60(11) . 3_556 ?
O4 K1 C1 89.65(12) . . ?
O1 K1 C1 120.93(13) . . ?
O19 K1 C1 134.89(15) . . ?
O5 K1 C1 113.10(12) . . ?
O1 K1 C1 22.74(11) 3_556 . ?
O4 K1 C5 173.86(13) . . ?
O1 K1 C5 103.93(13) . . ?
O19 K1 C5 102.97(13) . . ?
O5 K1 C5 22.71(12) . . ?
O1 K1 C5 109.13(13) 3_556 . ?
C1 K1 C5 92.34(14) . . ?
O4 K1 C2 111.22(13) . . ?
O1 K1 C2 175.41(14) . . ?
O19 K1 C2 88.20(14) . . ?
O5 K1 C2 81.10(13) . . ?
O1 K1 C2 75.69(13) 3_556 . ?
C1 K1 C2 55.15(14) . . ?
C5 K1 C2 74.60(14) . . ?
O4 K1 O2 106.56(11) . . ?
O1 K1 O2 162.33(12) . . ?
O19 K1 O2 66.05(12) . . ?
O5 K1 O2 77.23(11) . . ?
O1 K1 O2 94.05(11) 3_556 . ?
C1 K1 O2 75.73(12) . . ?
C5 K1 O2 79.56(13) . . ?
C2 K1 O2 22.20(12) . . ?
O4 K1 C4 124.69(12) . . ?
O1 K1 C4 83.43(12) . . ?
O19 K1 C4 153.11(13) . . ?
O5 K1 C4 72.02(12) . . ?
O1 K1 C4 67.23(11) 3_556 . ?
C1 K1 C4 63.43(13) . . ?
C5 K1 C4 51.71(13) . . ?
C2 K1 C4 92.34(14) . . ?
O2 K1 C4 111.26(12) . . ?
O4 K1 O4 105.38(10) . 3_556 ?
O1 K1 O4 67.17(10) . 3_556 ?
O19 K1 O4 158.88(13) . 3_556 ?
O5 K1 O4 87.97(10) . 3_556 ?
O1 K1 O4 61.00(10) 3_556 3_556 ?
C1 K1 O4 66.17(12) . 3_556 ?
C5 K1 O4 70.25(12) . 3_556 ?
C2 K1 O4 108.30(13) . 3_556 ?
O2 K1 O4 129.31(10) . 3_556 ?
C4 K1 O4 20.72(10) . 3_556 ?
O4 K1 C31 72.74(14) . . ?
O1 K1 C31 72.14(15) . . ?
O19 K1 C31 24.26(15) . . ?
O5 K1 C31 84.65(14) . . ?
O1 K1 C31 143.52(14) 3_556 . ?
C1 K1 C31 153.55(17) . . ?
C5 K1 C31 107.27(16) . . ?
C2 K1 C31 112.43(17) . . ?
O2 K1 C31 90.24(15) . . ?
C4 K1 C31 142.97(17) . . ?
O4 K1 C31 136.80(15) 3_556 . ?
O8 K2 O12 117.28(13) . . ?
O8 K2 O10 112.44(14) . . ?
O12 K2 O10 117.54(13) . . ?
O8 K2 O11 146.73(13) . . ?
O12 K2 O11 60.17(12) . . ?
O10 K2 O11 57.46(12) . . ?
O8 K2 O7 59.75(13) . . ?
O12 K2 O7 57.66(12) . . ?
O10 K2 O7 147.77(13) . . ?
O11 K2 O7 110.06(13) . . ?
O8 K2 O9 57.52(13) . . ?
O12 K2 O9 151.06(13) . . ?
O10 K2 O9 55.24(12) . . ?
O11 K2 O9 107.17(12) . . ?
O7 K2 O9 111.55(12) . . ?
O8 K2 Ge2 128.26(10) . . ?
O12 K2 Ge2 96.02(9) . . ?
O10 K2 Ge2 80.22(10) . . ?
O11 K2 Ge2 83.47(9) . . ?
O7 K2 Ge2 130.46(9) . . ?
O9 K2 Ge2 108.81(9) . . ?
O8 K2 Ge4 90.99(10) . . ?
O12 K2 Ge4 130.21(9) . . ?
O10 K2 Ge4 82.02(10) . . ?
O11 K2 Ge4 116.19(9) . . ?
O7 K2 Ge4 126.93(9) . . ?
O9 K2 Ge4 78.46(9) . . ?
Ge2 K2 Ge4 39.27(2) . . ?
O3 K3 O17 143.83(13) . . ?
O3 K3 O15 83.23(12) . . ?
O17 K3 O15 113.66(13) . . ?
O3 K3 O13 80.30(12) . . ?
O17 K3 O13 115.28(12) . . ?
O15 K3 O13 116.56(13) . . ?
O3 K3 O18 120.94(12) . . ?
O17 K3 O18 58.59(12) . . ?
O15 K3 O18 149.78(12) . . ?
O13 K3 O18 57.28(11) . . ?
O3 K3 O14 73.19(11) . . ?
O17 K3 O14 142.98(12) . . ?
O15 K3 O14 58.78(12) . . ?
O13 K3 O14 57.80(11) . . ?
O18 K3 O14 107.99(11) . . ?
O3 K3 O16 124.82(11) . . ?
O17 K3 O16 56.90(11) . . ?
O15 K3 O16 57.17(11) . . ?
O13 K3 O16 149.00(12) . . ?
O18 K3 O16 111.00(11) . . ?
O14 K3 O16 108.35(11) . . ?
O3 K3 N1 67.48(15) . . ?
O17 K3 N1 76.46(16) . . ?
O15 K3 N1 111.52(16) . . ?
O13 K3 N1 117.08(17) . . ?
O18 K3 N1 95.52(15) . . ?
O14 K3 N1 140.48(15) . . ?
O16 K3 N1 91.34(17) . . ?
O22 K4 O23 64.03(14) . . ?
O22 K4 O19 173.70(15) . . ?
O23 K4 O19 118.46(15) . . ?
O22 K4 O5 97.17(13) . . ?
O23 K4 O5 141.55(13) . . ?
O19 K4 O5 84.02(12) . . ?
O22 K4 O20 113.75(14) . . ?
O23 K4 O20 139.24(14) . . ?
O19 K4 O20 60.37(14) . . ?
O5 K4 O20 78.29(12) . . ?
O22 K4 O24 117.81(14) . . ?
O23 K4 O24 60.09(13) . . ?
O19 K4 O24 62.02(13) . . ?
O5 K4 O24 144.30(13) . . ?
O20 K4 O24 92.84(15) . . ?
O22 K4 O21 58.21(13) . . ?
O23 K4 O21 98.69(13) . . ?
O19 K4 O21 115.52(14) . . ?
O5 K4 O21 98.23(13) . . ?
O20 K4 O21 57.35(12) . . ?
O24 K4 O21 105.87(16) . . ?
O22 K4 O2 120.41(13) . . ?
O23 K4 O2 83.27(13) . . ?
O19 K4 O2 65.89(13) . . ?
O5 K4 O2 78.36(11) . . ?
O20 K4 O2 122.86(12) . . ?
O24 K4 O2 77.86(14) . . ?
O21 K4 O2 176.26(13) . . ?
O22 K4 C37 22.80(15) . . ?
O23 K4 C37 43.59(15) . . ?
O19 K4 C37 161.40(16) . . ?
O5 K4 C37 108.48(16) . . ?
O20 K4 C37 134.44(16) . . ?
O24 K4 C37 102.37(16) . . ?
O21 K4 C37 77.15(15) . . ?
O2 K4 C37 102.38(15) . . ?
O22 K4 C32 132.66(16) . . ?
O23 K4 C32 151.02(17) . . ?
O19 K4 C32 42.39(16) . . ?
O5 K4 C32 66.35(14) . . ?
O20 K4 C32 23.10(13) . . ?
O24 K4 C32 92.23(17) . . ?
O21 K4 C32 79.70(14) . . ?
O2 K4 C32 100.15(13) . . ?
C37 K4 C32 155.25(17) . . ?
O22 K4 K1 140.59(11) . . ?
O23 K4 K1 131.34(11) . . ?
O19 K4 K1 42.94(10) . . ?
O5 K4 K1 46.62(8) . . ?
O20 K4 K1 78.29(9) . . ?
O24 K4 K1 97.84(11) . . ?
O21 K4 K1 129.85(9) . . ?
O2 K4 K1 48.51(8) . . ?
C37 K4 K1 139.50(14) . . ?
C32 K4 K1 55.47(10) . . ?
C1 O1 K1 145.8(3) 3_556 . ?
C1 O1 K1 79.3(3) 3_556 3_556 ?
K1 O1 K1 79.07(10) . 3_556 ?
C2 O2 K1 77.9(3) . . ?
C2 O2 K4 133.1(4) . . ?
K1 O2 K4 82.33(11) . . ?
C3 O3 K3 142.5(3) . . ?
C4 O4 K1 146.9(3) 3_556 . ?
C4 O4 K1 78.6(3) 3_556 3_556 ?
K1 O4 K1 74.62(10) . 3_556 ?
C5 O5 K4 136.2(4) . . ?
C5 O5 K1 83.2(3) . . ?
K4 O5 K1 89.00(12) . . ?
C18 O7 C7 112.4(5) . . ?
C18 O7 K2 112.1(3) . . ?
C7 O7 K2 107.6(4) . . ?
C8 O8 C9 110.9(5) . . ?
C8 O8 K2 119.3(4) . . ?
C9 O8 K2 122.6(4) . . ?
C10 O9 C11 113.1(6) . . ?
C10 O9 K2 103.4(4) . . ?
C11 O9 K2 104.6(3) . . ?
C13 O10 C12 110.9(5) . . ?
C13 O10 K2 120.3(4) . . ?
C12 O10 K2 125.1(4) . . ?
C14 O11 C15 110.5(5) . . ?
C14 O11 K2 110.7(3) . . ?
C15 O11 K2 107.3(3) . . ?
C16 O12 C17 112.5(5) . . ?
C16 O12 K2 116.9(3) . . ?
C17 O12 K2 121.2(3) . . ?
C30 O13 C19 111.6(5) . . ?
C30 O13 K3 122.0(3) . . ?
C19 O13 K3 121.0(3) . . ?
C20 O14 C21 110.3(4) . . ?
C20 O14 K3 108.0(3) . . ?
C21 O14 K3 105.8(3) . . ?
C22 O15 C23 111.9(4) . . ?
C22 O15 K3 120.3(3) . . ?
C23 O15 K3 121.9(3) . . ?
C24 O16 C25 112.6(5) . . ?
C24 O16 K3 107.3(3) . . ?
C25 O16 K3 108.8(3) . . ?
C26 O17 C27 111.8(4) . . ?
C26 O17 K3 123.9(3) . . ?
C27 O17 K3 120.2(3) . . ?
C28 O18 C29 112.9(5) . . ?
C28 O18 K3 104.8(3) . . ?
C29 O18 K3 105.9(3) . . ?
C31 O19 C42 114.0(6) . . ?
C31 O19 K4 118.8(4) . . ?
C42 O19 K4 111.7(4) . . ?
C31 O19 K1 101.2(4) . . ?
C42 O19 K1 114.4(4) . . ?
K4 O19 K1 94.62(14) . . ?
C33 O20 C32 115.0(5) . . ?
C33 O20 K4 107.8(4) . . ?
C32 O20 K4 104.6(3) . . ?
C35 O21 C34 113.5(6) . . ?
C35 O21 K4 103.7(4) . . ?
C34 O21 K4 113.0(4) . . ?
C36 O22 C37 115.1(5) . . ?
C36 O22 K4 122.4(3) . . ?
C37 O22 K4 109.6(4) . . ?
C39 O23 C38 114.0(5) . . ?
C39 O23 K4 118.2(4) . . ?
C38 O23 K4 114.9(3) . . ?
C41 O24 C40 115.1(7) . . ?
C41 O24 K4 111.9(5) . . ?
C40 O24 K4 105.4(4) . . ?
O1 C1 Mo1 176.5(4) 3_556 . ?
O1 C1 K1 78.0(3) 3_556 . ?
Mo1 C1 K1 98.65(18) . . ?
O2 C2 Mo1 175.8(5) . . ?
O2 C2 K1 79.9(3) . . ?
Mo1 C2 K1 96.56(19) . . ?
O3 C3 Mo1 176.8(4) . . ?
O4 C4 Mo2 175.6(4) 3_556 . ?
O4 C4 K1 80.7(3) 3_556 . ?
Mo2 C4 K1 95.03(17) . . ?
O5 C5 Mo2 174.9(4) . . ?
O5 C5 K1 74.1(3) . . ?
Mo2 C5 K1 100.89(18) . . ?
O6 C6 Mo2 179.0(5) . . ?
O7 C7 C8 110.3(5) . . ?
O8 C8 C7 108.6(5) . . ?
O8 C9 C10 108.4(5) . . ?
O9 C10 C9 110.0(5) . . ?
O9 C11 C12 108.9(6) . . ?
O10 C12 C11 106.8(6) . . ?
O10 C13 C14 108.7(5) . . ?
O11 C14 C13 108.4(5) . . ?
O11 C15 C16 109.7(5) . . ?
O12 C16 C15 109.9(5) . . ?
O12 C17 C18 109.6(5) . . ?
O7 C18 C17 108.4(5) . . ?
O13 C19 C20 109.2(5) . . ?
O14 C20 C19 109.8(5) . . ?
O14 C21 C22 110.4(5) . . ?
O15 C22 C21 109.8(5) . . ?
O15 C23 C24 110.3(5) . . ?
O16 C24 C23 108.0(5) . . ?
O16 C25 C26 109.1(5) . . ?
O17 C26 C25 108.8(5) . . ?
O17 C27 C28 108.8(5) . . ?
O18 C28 C27 108.9(5) . . ?
O18 C29 C30 108.7(5) . . ?
O13 C30 C29 108.4(5) . . ?
O19 C31 C32 108.2(5) . . ?
O19 C31 K1 54.6(3) . . ?
C32 C31 K1 85.2(4) . . ?
O20 C32 C31 108.1(5) . . ?
O20 C32 K4 52.3(3) . . ?
C31 C32 K4 83.1(3) . . ?
O20 C33 C34 108.6(6) . . ?
O21 C34 C33 111.5(6) . . ?
O21 C35 C36 108.2(6) . . ?
O22 C36 C35 109.4(5) . . ?
O22 C37 C38 111.8(6) . . ?
O22 C37 K4 47.6(3) . . ?
C38 C37 K4 82.2(3) . . ?
O23 C38 C37 106.8(5) . . ?
O23 C39 C40 111.4(6) . . ?
O24 C40 C39 106.9(6) . . ?
O24 C41 C42 120.2(9) . . ?
C41 C42 O19 113.1(7) . . ?
C44 C43 N1 111.2(9) . . ?
C43 C44 N2 112.2(8) . . ?
C43 N1 K3 121.0(5) . . ?

_diffrn_measured_fraction_theta_max 0.965
_diffrn_reflns_theta_full        27.32
_diffrn_measured_fraction_theta_full 0.965
_refine_diff_density_max         2.843
_refine_diff_density_min         -1.340
_refine_diff_density_rms         0.135
_database_code_depnum_ccdc_archive 'CCDC 948004'
