#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:20:33 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224231 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/97/7049724.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_7049724
loop_
_publ_author_name
'Luo, Benlong'
'Xu, Li'
_publ_section_title
;
 POM-FLPs: [Mo]ₙ-polyoxometalate bifunctional catalysis by
 [Mo]ₙ-Oₘ Lewis pairs frustrated by triangular
 MoIV-MoIV bonds.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6892
_journal_page_last               6898
_journal_paper_doi               10.1039/c9dt00983c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety
'C60 H62 Ge5 Mo32 N12 O96 Zn,2(C5H5N),3(C5H5N)'
_chemical_formula_sum            'C85 H87 Ge5 Mo32 N17 O96 Zn'
_chemical_formula_weight         6381.11
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-04-11 deposited with the CCDC.    2019-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.075(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.763(4)
_cell_length_b                   13.703(2)
_cell_length_c                   27.665(5)
_cell_measurement_reflns_used    9795
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     7997(2)
_computing_cell_refinement
'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
_computing_data_reduction
'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'diamond 3.0'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            39566
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.505
_diffrn_reflns_theta_min         3.036
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    3.583
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.924
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Higashi, T. (1995). Program for Absorption Correction. Rigaku Corporation, Tokyo, Japan.'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.650
_exptl_crystal_description       Prism
_exptl_crystal_F_000             6036
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.007
_refine_diff_density_min         -1.178
_refine_diff_density_rms         0.195
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.290
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         9454
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.290
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0643
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0001P)²+278.6125P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1198
_refine_ls_wR_factor_ref         0.1234
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    0.988
_reflns_Friedel_fraction_max     0.988
_reflns_number_gt                8410
_reflns_number_total             9454
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00983c2.cif
_cod_data_source_block           20170619-l16-a_sq_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7049723--7049724.cif.
;
_cod_database_code               7049724
_shelx_shelxl_version_number     2016/6
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Mo1 Mo 0.34936(5) 0.500000 0.29328(4) 0.0316(3) Uani 1 2 d S T P A .
N1 N 0.4408(5) 0.500000 0.2810(4) 0.034(3) Uani 1 2 d S T P . .
O1 O 0.3868(3) 0.3934(7) 0.3397(2) 0.050(2) Uani 1 1 d . . . . .
Ge1 Ge 0.11096(6) 0.500000 0.26110(5) 0.0316(3) Uani 1 2 d S T P . .
Mo2 Mo 0.30975(4) 0.40996(9) 0.35354(3) 0.0424(3) Uani 1 1 d . . . . .
Ge2 Ge 0.26574(4) 0.29992(8) 0.23535(4) 0.0321(2) Uani 0.75 1 d . . P A 1
O10 O 0.3039(6) 0.1970(8) 0.2259(6) 0.057(4) Uani 0.75 1 d . . P A 1
Zn1 Zn 0.26574(4) 0.29992(8) 0.23535(4) 0.0321(2) Uani 0.25 1 d . . P A 2
O10A O 0.299(2) 0.157(4) 0.2484(19) 0.087(14) Uani 0.25 1 d . . P A 2
O2 O 0.3435(5) 0.500000 0.4111(4) 0.060(4) Uani 1 2 d S T P . .
Mo3 Mo 0.26626(4) 0.500000 0.16484(4) 0.0219(2) Uani 1 2 d S T P A .
N3 N 0.3567(4) 0.500000 0.1511(4) 0.023(2) Uani 1 2 d S T P . .
O3 O 0.2614(4) 0.500000 0.2949(3) 0.031(2) Uani 1 2 d S T P . .
Mo4 Mo 0.16348(3) 0.41028(6) 0.12706(3) 0.02207(15) Uani 1 1 d . . . . .
O4 O 0.3106(3) 0.4046(5) 0.2288(2) 0.0278(13) Uani 1 1 d . . . . .
Mo5 Mo 0.10157(3) 0.27661(6) 0.19199(3) 0.02691(17) Uani 1 1 d . . . . .
O5 O 0.2432(3) 0.3930(5) 0.1169(2) 0.0271(13) Uani 1 1 d . . . . .
N5 N 0.4598(15) 0.500000 0.5819(13) 0.153(8) Uani 1 2 d S TU P . .
Mo6 Mo 0.00795(5) 0.500000 0.12424(4) 0.0249(2) Uani 1 2 d S T P . .
O6 O 0.1250(4) 0.500000 0.0707(3) 0.0248(18) Uani 1 2 d S T P . .
Mo7 Mo -0.03843(3) 0.37748(6) 0.20694(3) 0.02909(18) Uani 1 1 d . . . . .
O7 O 0.1930(4) 0.500000 0.1891(3) 0.0213(17) Uani 1 2 d S T P . .
C17 C 0.4275(13) 0.420(2) 0.5814(9) 0.139(6) Uani 1 1 d . U . . .
H17 H 0.447539 0.360656 0.581223 0.167 Uiso 1 1 calc R U . . .
O17 O 0.0225(4) 0.2989(8) 0.3807(3) 0.064(3) Uani 1 1 d . . . . .
O13 O 0.1080(3) 0.2942(7) 0.3290(3) 0.048(2) Uani 1 1 d . . . . .
C18 C 0.3709(14) 0.416(2) 0.5811(10) 0.158(8) Uani 1 1 d . U . . .
H18 H 0.351760 0.355596 0.580236 0.190 Uiso 1 1 calc R U . . .
O18 O 0.0249(4) 0.500000 0.3669(4) 0.049(3) Uani 1 2 d S T P . .
O14 O 0.1380(3) 0.4038(8) 0.4103(3) 0.065(3) Uani 1 1 d . . . . .
O12 O 0.2154(4) 0.1819(8) 0.3593(4) 0.074(3) Uani 1 1 d . . . . .
O11 O 0.2239(3) 0.3949(7) 0.3636(2) 0.048(2) Uani 1 1 d . . . . .
O8 O 0.2641(3) 0.2993(6) 0.3002(3) 0.0437(19) Uani 1 1 d . . . . .
Mo8 Mo 0.18355(4) 0.27689(8) 0.31900(4) 0.0434(3) Uani 1 1 d . . . . .
O9 O 0.1883(3) 0.2991(5) 0.1833(2) 0.0296(14) Uani 1 1 d . . . . .
Mo9 Mo 0.18751(6) 0.500000 0.40176(5) 0.0537(5) Uani 1 2 d S T P . .
Mo10 Mo 0.05285(4) 0.37725(9) 0.34916(3) 0.0461(3) Uani 1 1 d . . . . .
O19 O -0.0083(3) 0.3773(6) 0.2804(3) 0.0387(16) Uani 1 1 d . . . . .
C19 C 0.3386(16) 0.500000 0.5821(9) 0.124(7) Uani 1 2 d S TU P . .
H19 H 0.298347 0.499999 0.583268 0.149 Uiso 1 2 calc R U P . .
O26 O -0.0825(4) 0.500000 0.2010(3) 0.030(2) Uani 1 2 d S T P . .
O25 O 0.0336(4) 0.500000 0.2135(3) 0.0260(19) Uani 1 2 d S T P . .
O24 O -0.0422(3) 0.5972(5) 0.1321(2) 0.0289(13) Uani 1 1 d . . . . .
O23 O -0.0084(4) 0.500000 0.0597(3) 0.037(2) Uani 1 2 d S T P . .
O22 O 0.0822(2) 0.3944(4) 0.1443(2) 0.0230(12) Uani 1 1 d . . . . .
N4 N 0.1262(4) 0.2973(6) 0.0646(3) 0.0362(18) Uani 1 1 d . . . . .
N2 N 0.3499(4) 0.2912(10) 0.4133(3) 0.067(4) Uani 1 1 d . . . . .
O20 O -0.1004(3) 0.2990(5) 0.1905(3) 0.0420(17) Uani 1 1 d . . . . .
O21 O 0.0289(3) 0.2948(5) 0.2065(3) 0.0341(15) Uani 1 1 d . . . . .
C1 C 0.4697(4) 0.4178(8) 0.2797(4) 0.043(3) Uani 1 1 d . . . . .
H1 H 0.449316 0.359301 0.280392 0.051 Uiso 1 1 calc R U . . .
O29 O 0.1456(3) 0.3899(5) 0.2549(2) 0.0330(15) Uani 1 1 d . . . . .
O28 O 0.1465(3) 0.2080(5) 0.2554(3) 0.0413(18) Uani 1 1 d . . . . .
O27 O 0.0799(3) 0.1811(6) 0.1510(3) 0.0479(19) Uani 1 1 d . . . . .
C10 C 0.4714(6) 0.500000 0.1398(5) 0.037(3) Uani 1 2 d S T P . .
H10 H 0.510291 0.499998 0.136106 0.044 Uiso 1 2 calc R U P . .
C6 C 0.5294(5) 0.4149(10) 0.2773(5) 0.053(3) Uani 1 1 d . . . . .
H6 H 0.548911 0.355611 0.276560 0.064 Uiso 1 1 calc R U . . .
C9 C 0.4428(4) 0.4138(8) 0.1426(4) 0.041(2) Uani 1 1 d . . . . .
H9 H 0.461904 0.354545 0.140957 0.049 Uiso 1 1 calc R U . . .
C8 C 0.3849(4) 0.4163(7) 0.1478(4) 0.037(2) Uani 1 1 d . . . . .
H8 H 0.364813 0.357779 0.149070 0.045 Uiso 1 1 calc R U . . .
C7 C 0.5584(6) 0.500000 0.2761(6) 0.052(5) Uani 1 2 d S T P . .
H7 H 0.598467 0.499999 0.274416 0.063 Uiso 1 2 calc R U P . .
C11 C 0.0854(6) 0.3178(10) 0.0177(5) 0.063(4) Uani 1 1 d . . . . .
H11 H 0.069507 0.380890 0.010416 0.075 Uiso 1 1 calc R U . . .
C4 C 0.3922(6) 0.2284(13) 0.4104(5) 0.078(5) Uani 1 1 d . . . . .
H4 H 0.407168 0.234153 0.383562 0.093 Uiso 1 1 calc R U . . .
C2 C 0.3287(7) 0.2801(16) 0.4526(5) 0.094(7) Uani 1 1 d . . . . .
H2 H 0.298520 0.323639 0.454948 0.113 Uiso 1 1 calc R U . . .
C3 C 0.3494(8) 0.2083(18) 0.4887(6) 0.114(8) Uani 1 1 d . . . . .
H3 H 0.333623 0.203430 0.515102 0.137 Uiso 1 1 calc R U . . .
C5 C 0.4144(9) 0.1558(15) 0.4457(7) 0.110(7) Uani 1 1 d . . . . .
H5 H 0.444596 0.112763 0.442915 0.132 Uiso 1 1 calc R U . . .
C12 C 0.1478(9) 0.2078(11) 0.0735(5) 0.092(6) Uani 1 1 d . . . . .
H12 H 0.175961 0.191849 0.106819 0.110 Uiso 1 1 calc R U . . .
C13 C 0.3925(9) 0.1446(16) 0.4864(6) 0.106(7) Uani 1 1 d . . . . .
H13 H 0.407392 0.094787 0.510830 0.128 Uiso 1 1 calc R U . . .
C14 C 0.0653(10) 0.2473(15) -0.0218(6) 0.107(7) Uani 1 1 d . . . . .
H14 H 0.036835 0.263792 -0.054961 0.129 Uiso 1 1 calc R U . . .
C15 C 0.0868(14) 0.1585(15) -0.0116(8) 0.147(11) Uani 1 1 d . . . . .
H15 H 0.071898 0.110390 -0.037081 0.177 Uiso 1 1 calc R U . . .
O15 O 0.2491(5) 0.500000 0.4599(4) 0.087(6) Uani 1 2 d S T P . .
C16 C 0.1305(11) 0.1360(18) 0.0356(9) 0.128(8) Uani 1 1 d . U . . .
H16 H 0.148448 0.074086 0.042552 0.154 Uiso 1 1 calc R U . . .
O16 O 0.1037(4) 0.500000 0.3222(3) 0.036(2) Uani 1 2 d S T P . .
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'
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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
O1 Mo1 O1 99.1(5) . 6_565
O1 Mo1 O3 100.3(2) . .
O1 Mo1 O3 100.3(2) 6_565 .
O1 Mo1 O4 91.9(3) . .
O1 Mo1 O4 166.5(3) 6_565 .
O3 Mo1 O4 85.2(2) . .
O1 Mo1 O4 166.5(3) . 6_565
O1 Mo1 O4 91.9(3) 6_565 6_565
O3 Mo1 O4 85.2(2) . 6_565
O4 Mo1 O4 76.2(3) . 6_565
O1 Mo1 N1 84.1(3) . .
O1 Mo1 N1 84.1(3) 6_565 .
O3 Mo1 N1 173.1(4) . .
O4 Mo1 N1 89.4(3) . .
O4 Mo1 N1 89.4(3) 6_565 .
O1 Mo1 Mo2 50.10(18) . .
O1 Mo1 Mo2 96.3(2) 6_565 .
O3 Mo1 Mo2 51.40(17) . .
O4 Mo1 Mo2 96.71(16) . .
O4 Mo1 Mo2 136.57(15) 6_565 .
N1 Mo1 Mo2 133.8(2) . .
O1 Mo1 Mo2 96.3(2) . 6_565
O1 Mo1 Mo2 50.10(18) 6_565 6_565
O3 Mo1 Mo2 51.40(17) . 6_565
O4 Mo1 Mo2 136.57(15) . 6_565
O4 Mo1 Mo2 96.72(16) 6_565 6_565
N1 Mo1 Mo2 133.8(2) . 6_565
Mo2 Mo1 Mo2 59.18(6) . 6_565
C1 N1 C1 118.4(11) 6_565 .
C1 N1 Mo1 120.7(6) 6_565 .
C1 N1 Mo1 120.7(6) . .
Mo1 O1 Mo2 80.6(3) . .
O29 Ge1 O29 120.2(4) 6_565 .
O29 Ge1 O25 106.8(2) 6_565 .
O29 Ge1 O25 106.8(2) . .
O29 Ge1 O16 107.7(2) 6_565 .
O29 Ge1 O16 107.7(2) . .
O25 Ge1 O16 106.9(4) . .
O2 Mo2 O1 97.4(4) . .
O2 Mo2 O3 101.6(2) . .
O1 Mo2 O3 100.0(3) . .
O2 Mo2 O11 93.2(4) . .
O1 Mo2 O11 167.1(4) . .
O3 Mo2 O11 85.0(3) . .
O2 Mo2 O8 168.5(3) . .
O1 Mo2 O8 91.2(3) . .
O3 Mo2 O8 84.2(2) . .
O11 Mo2 O8 77.4(3) . .
O2 Mo2 N2 86.0(4) . .
O1 Mo2 N2 85.0(3) . .
O3 Mo2 N2 170.2(3) . .
O11 Mo2 N2 88.4(3) . .
O8 Mo2 N2 87.2(4) . .
O2 Mo2 Mo2 50.27(18) . 6_565
O1 Mo2 Mo2 96.7(3) . 6_565
O3 Mo2 Mo2 52.05(14) . 6_565
O11 Mo2 Mo2 95.7(3) . 6_565
O8 Mo2 Mo2 136.28(18) . 6_565
N2 Mo2 Mo2 136.2(3) . 6_565
O2 Mo2 Mo1 95.9(2) . .
O1 Mo2 Mo1 49.3(2) . .
O3 Mo2 Mo1 51.9(2) . .
O11 Mo2 Mo1 136.84(19) . .
O8 Mo2 Mo1 95.46(18) . .
N2 Mo2 Mo1 134.2(2) . .
Mo2 Mo2 Mo1 60.41(3) 6_565 .
O10 Ge2 O8 110.2(5) . .
O10 Ge2 O4 107.3(4) . .
O8 Ge2 O4 109.0(3) . .
O10 Ge2 O9 105.6(5) . .
O8 Ge2 O9 114.4(3) . .
O4 Ge2 O9 110.0(3) . .
O8 Zn1 O4 109.0(3) . .
O8 Zn1 O9 114.4(3) . .
O4 Zn1 O9 110.0(3) . .
O8 Zn1 O10A 88.1(13) . .
O4 Zn1 O10A 125.3(13) . .
O9 Zn1 O10A 108.5(14) . .
Mo2 O2 Mo2 79.5(4) 6_565 .
O5 Mo3 O5 100.1(4) . 6_565
O5 Mo3 O7 100.6(2) . .
O5 Mo3 O7 100.6(2) 6_565 .
O5 Mo3 O4 165.7(3) . 6_565
O5 Mo3 O4 91.5(3) 6_565 6_565
O7 Mo3 O4 85.2(2) . 6_565
O5 Mo3 O4 91.5(3) . .
O5 Mo3 O4 165.7(3) 6_565 .
O7 Mo3 O4 85.2(2) . .
O4 Mo3 O4 75.9(3) 6_565 .
O5 Mo3 N3 85.0(2) . .
O5 Mo3 N3 85.0(2) 6_565 .
O7 Mo3 N3 171.1(3) . .
O4 Mo3 N3 87.8(2) 6_565 .
O4 Mo3 N3 87.8(2) . .
O5 Mo3 Mo4 96.75(18) . 6_565
O5 Mo3 Mo4 50.42(17) 6_565 6_565
O7 Mo3 Mo4 51.56(17) . 6_565
O4 Mo3 Mo4 97.05(16) 6_565 6_565
O4 Mo3 Mo4 136.75(15) . 6_565
N3 Mo3 Mo4 135.08(18) . 6_565
O5 Mo3 Mo4 50.42(17) . .
O5 Mo3 Mo4 96.75(18) 6_565 .
O7 Mo3 Mo4 51.56(17) . .
O4 Mo3 Mo4 136.76(15) 6_565 .
O4 Mo3 Mo4 97.06(16) . .
N3 Mo3 Mo4 135.08(18) . .
Mo4 Mo3 Mo4 58.97(4) 6_565 .
C8 N3 C8 118.7(10) 6_565 .
C8 N3 Mo3 120.6(5) 6_565 .
C8 N3 Mo3 120.6(5) . .
Mo2 O3 Mo2 75.9(3) . 6_565
Mo2 O3 Mo1 76.7(3) . .
Mo2 O3 Mo1 76.7(3) 6_565 .
O6 Mo4 O5 97.3(3) . .
O6 Mo4 O7 101.9(2) . .
O5 Mo4 O7 99.6(3) . .
O6 Mo4 O22 94.5(3) . .
O5 Mo4 O22 166.2(2) . .
O7 Mo4 O22 84.7(3) . .
O6 Mo4 O9 168.9(3) . .
O5 Mo4 O9 90.7(2) . .
O7 Mo4 O9 84.3(2) . .
O22 Mo4 O9 76.7(2) . .
O6 Mo4 N4 83.8(3) . .
O5 Mo4 N4 84.7(3) . .
O7 Mo4 N4 172.3(3) . .
O22 Mo4 N4 89.6(3) . .
O9 Mo4 N4 89.3(3) . .
O6 Mo4 Mo4 50.15(15) . 6_565
O5 Mo4 Mo4 96.99(19) . 6_565
O7 Mo4 Mo4 52.32(13) . 6_565
O22 Mo4 Mo4 95.97(16) . 6_565
O9 Mo4 Mo4 136.58(18) . 6_565
N4 Mo4 Mo4 133.8(2) . 6_565
O6 Mo4 Mo3 95.4(2) . .
O5 Mo4 Mo3 49.06(18) . .
O7 Mo4 Mo3 51.8(2) . .
O22 Mo4 Mo3 136.57(16) . .
O9 Mo4 Mo3 95.63(17) . .
N4 Mo4 Mo3 133.5(2) . .
Mo4 Mo4 Mo3 60.52(2) 6_565 .
Zn1 O4 Mo1 118.5(3) . .
Ge2 O4 Mo1 118.5(3) . .
Zn1 O4 Mo3 117.5(3) . .
Ge2 O4 Mo3 117.5(3) . .
Mo1 O4 Mo3 103.8(3) . .
O27 Mo5 O21 101.0(3) . .
O27 Mo5 O28 99.0(4) . .
O21 Mo5 O28 94.7(3) . .
O27 Mo5 O22 104.2(3) . .
O21 Mo5 O22 92.3(2) . .
O28 Mo5 O22 154.1(3) . .
O27 Mo5 O9 95.0(3) . .
O21 Mo5 O9 163.0(3) . .
O28 Mo5 O9 88.6(2) . .
O22 Mo5 O9 78.0(2) . .
O27 Mo5 O29 170.1(3) . .
O21 Mo5 O29 85.2(3) . .
O28 Mo5 O29 72.7(3) . .
O22 Mo5 O29 83.1(2) . .
O9 Mo5 O29 79.8(2) . .
Mo3 O5 Mo4 80.5(2) . .
C17 N5 C17 113(4) 6_565 .
O23 Mo6 O24 103.2(3) . .
O23 Mo6 O24 103.2(3) . 6_565
O24 Mo6 O24 94.0(4) . 6_565
O23 Mo6 O22 96.6(3) . 6_565
O24 Mo6 O22 86.8(2) . 6_565
O24 Mo6 O22 159.4(2) 6_565 6_565
O23 Mo6 O22 96.6(3) . .
O24 Mo6 O22 159.4(2) . .
O24 Mo6 O22 86.8(2) 6_565 .
O22 Mo6 O22 85.4(3) 6_565 .
O23 Mo6 O25 178.3(4) . .
O24 Mo6 O25 77.9(2) . .
O24 Mo6 O25 77.9(2) 6_565 .
O22 Mo6 O25 82.2(2) 6_565 .
O22 Mo6 O25 82.2(2) . .
Mo4 O6 Mo4 79.7(3) . 6_565
O20 Mo7 O19 102.6(3) . .
O20 Mo7 O21 102.2(3) . .
O19 Mo7 O21 92.2(3) . .
O20 Mo7 O26 100.1(3) . .
O19 Mo7 O26 93.4(3) . .
O21 Mo7 O26 155.2(3) . .
O20 Mo7 O24 96.9(3) . 6_565
O19 Mo7 O24 160.1(3) . 6_565
O21 Mo7 O24 79.9(3) . 6_565
O26 Mo7 O24 86.8(3) . 6_565
O20 Mo7 O25 168.2(3) . .
O19 Mo7 O25 87.5(3) . .
O21 Mo7 O25 83.3(2) . .
O26 Mo7 O25 72.8(2) . .
O24 Mo7 O25 73.6(3) 6_565 .
Mo4 O7 Mo4 75.4(3) 6_565 .
Mo4 O7 Mo3 76.6(2) 6_565 .
Mo4 O7 Mo3 76.6(2) . .
C18 C17 N5 126(3) . .
Mo8 O13 Mo10 149.3(5) . .
C17 C18 C19 120(3) . .
Mo10 O18 Mo10 121.7(4) . 6_565
Mo9 O14 Mo10 117.3(4) . .
Mo8 O11 Mo2 103.3(3) . .
Mo8 O11 Mo9 131.9(3) . .
Mo2 O11 Mo9 123.9(4) . .
Zn1 O8 Mo2 120.3(4) . .
Ge2 O8 Mo2 120.3(4) . .
Zn1 O8 Mo8 126.1(4) . .
Ge2 O8 Mo8 126.1(4) . .
Mo2 O8 Mo8 100.3(3) . .
O12 Mo8 O13 101.0(4) . .
O12 Mo8 O28 99.2(4) . .
O13 Mo8 O28 95.1(3) . .
O12 Mo8 O11 103.2(4) . .
O13 Mo8 O11 92.3(3) . .
O28 Mo8 O11 154.6(3) . .
O12 Mo8 O8 94.5(3) . .
O13 Mo8 O8 163.4(3) . .
O28 Mo8 O8 88.2(3) . .
O11 Mo8 O8 78.3(3) . .
O12 Mo8 O29 170.2(4) . .
O13 Mo8 O29 85.8(3) . .
O28 Mo8 O29 73.0(3) . .
O11 Mo8 O29 83.3(3) . .
O8 Mo8 O29 79.5(2) . .
Zn1 O9 Mo4 119.8(3) . .
Ge2 O9 Mo4 119.8(3) . .
Zn1 O9 Mo5 125.9(3) . .
Ge2 O9 Mo5 125.9(3) . .
Mo4 O9 Mo5 100.9(2) . .
O15 Mo9 O14 102.2(3) . .
O15 Mo9 O14 102.2(3) . 6_565
O14 Mo9 O14 93.7(6) . 6_565
O15 Mo9 O11 97.6(3) . 6_565
O14 Mo9 O11 159.5(3) . 6_565
O14 Mo9 O11 87.1(4) 6_565 6_565
O15 Mo9 O11 97.6(3) . .
O14 Mo9 O11 87.1(4) . .
O14 Mo9 O11 159.5(3) 6_565 .
O11 Mo9 O11 85.2(4) 6_565 .
O15 Mo9 O16 179.7(4) . .
O14 Mo9 O16 78.0(3) . .
O14 Mo9 O16 78.0(3) 6_565 .
O11 Mo9 O16 82.2(2) 6_565 .
O11 Mo9 O16 82.2(2) . .
O17 Mo10 O19 103.4(4) . .
O17 Mo10 O13 102.3(4) . .
O19 Mo10 O13 91.3(3) . .
O17 Mo10 O18 100.6(4) . .
O19 Mo10 O18 93.9(4) . .
O13 Mo10 O18 154.6(3) . .
O17 Mo10 O14 97.4(4) . .
O19 Mo10 O14 158.8(3) . .
O13 Mo10 O14 80.2(3) . .
O18 Mo10 O14 86.3(4) . .
O17 Mo10 O16 168.3(4) . .
O19 Mo10 O16 86.8(3) . .
O13 Mo10 O16 83.0(3) . .
O18 Mo10 O16 72.6(3) . .
O14 Mo10 O16 73.1(3) . .
Mo7 O19 Mo10 156.6(3) . .
C18 C19 C18 114(4) 6_565 .
Mo7 O26 Mo7 120.8(4) 6_565 .
Ge1 O25 Mo7 122.7(2) . 6_565
Ge1 O25 Mo7 122.7(2) . .
Mo7 O25 Mo7 93.4(3) 6_565 .
Ge1 O25 Mo6 125.4(4) . .
Mo7 O25 Mo6 91.7(2) 6_565 .
Mo7 O25 Mo6 91.7(2) . .
Mo6 O24 Mo7 116.8(3) . 6_565
Mo5 O22 Mo4 103.7(2) . .
Mo5 O22 Mo6 131.9(3) . .
Mo4 O22 Mo6 123.5(3) . .
C12 N4 C11 117.5(11) . .
C12 N4 Mo4 119.8(8) . .
C11 N4 Mo4 122.6(8) . .
C4 N2 C2 117.7(13) . .
C4 N2 Mo2 122.2(8) . .
C2 N2 Mo2 120.1(10) . .
Mo5 O21 Mo7 149.6(4) . .
N1 C1 C6 122.5(11) . .
Ge1 O29 Mo8 124.7(3) . .
Ge1 O29 Mo5 125.7(3) . .
Mo8 O29 Mo5 93.5(3) . .
Mo8 O28 Mo5 120.4(4) . .
C9 C10 C9 119.9(12) . 6_565
C7 C6 C1 118.4(12) . .
C10 C9 C8 118.6(10) . .
N3 C8 C9 122.1(9) . .
C6 C7 C6 119.9(13) 6_565 .
N4 C11 C14 121.8(14) . .
N2 C4 C5 121.5(14) . .
C3 C2 N2 122.9(16) . .
C13 C3 C2 120.0(14) . .
C4 C5 C13 120.7(17) . .
N4 C12 C16 123.0(16) . .
C3 C13 C5 117.2(14) . .
C15 C14 C11 119.3(17) . .
C14 C15 C16 120.2(18) . .
C15 C16 C12 118(2) . .
Ge1 O16 Mo9 125.0(4) . .
Ge1 O16 Mo10 123.2(3) . .
Mo9 O16 Mo10 91.5(2) . .
Ge1 O16 Mo10 123.2(3) . 6_565
Mo9 O16 Mo10 91.5(2) . 6_565
Mo10 O16 Mo10 93.0(3) . 6_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O1 1.921(8) .
Mo1 O1 1.921(8) 6_565
Mo1 O3 2.019(8) .
Mo1 O4 2.119(6) .
Mo1 O4 2.119(6) 6_565
Mo1 N1 2.232(10) .
Mo1 Mo2 2.4988(12) .
Mo1 Mo2 2.4989(12) 6_565
N1 C1 1.311(12) 6_565
N1 C1 1.311(12) .
O1 Mo2 1.943(6) .
Ge1 O29 1.741(7) 6_565
Ge1 O29 1.741(7) .
Ge1 O25 1.759(8) .
Ge1 O16 1.759(8) .
Mo2 O2 1.931(7) .
Mo2 O3 2.006(6) .
Mo2 O11 2.085(6) .
Mo2 O8 2.098(8) .
Mo2 N2 2.254(10) .
Mo2 Mo2 2.468(2) 6_565
Ge2 O10 1.727(10) .
Ge2 O8 1.809(7) .
Ge2 O4 1.809(6) .
Ge2 O9 1.810(6) .
Zn1 O8 1.809(7) .
Zn1 O4 1.809(6) .
Zn1 O9 1.810(6) .
Zn1 O10A 2.08(5) .
Mo3 O5 1.913(6) .
Mo3 O5 1.913(6) 6_565
Mo3 O7 2.019(7) .
Mo3 O4 2.125(6) 6_565
Mo3 O4 2.125(6) .
Mo3 N3 2.231(9) .
Mo3 Mo4 2.4978(11) 6_565
Mo3 Mo4 2.4978(11) .
N3 C8 1.333(11) 6_565
N3 C8 1.333(11) .
Mo4 O6 1.918(6) .
Mo4 O5 1.952(5) .
Mo4 O7 2.011(6) .
Mo4 O22 2.090(5) .
Mo4 O9 2.097(6) .
Mo4 N4 2.236(8) .
Mo4 Mo4 2.4587(16) 6_565
Mo5 O27 1.680(8) .
Mo5 O21 1.858(6) .
Mo5 O28 1.912(7) .
Mo5 O22 2.025(6) .
Mo5 O9 2.100(6) .
Mo5 O29 2.266(7) .
N5 C17 1.32(3) 6_565
N5 C17 1.32(3) .
Mo6 O23 1.682(9) .
Mo6 O24 1.820(6) .
Mo6 O24 1.820(6) 6_565
Mo6 O22 2.133(6) 6_565
Mo6 O22 2.133(5) .
Mo6 O25 2.313(8) .
Mo7 O20 1.694(6) .
Mo7 O19 1.885(7) .
Mo7 O21 1.911(6) .
Mo7 O26 1.930(4) .
Mo7 O24 2.068(6) 6_565
Mo7 O25 2.306(5) .
C17 C18 1.29(3) .
O17 Mo10 1.688(8) .
O13 Mo8 1.858(6) .
O13 Mo10 1.925(8) .
C18 C19 1.37(3) .
O18 Mo10 1.926(4) .
O18 Mo10 1.926(4) 6_565
O14 Mo9 1.808(9) .
O14 Mo10 2.070(7) .
O12 Mo8 1.690(8) .
O11 Mo8 2.032(9) .
O11 Mo9 2.129(8) .
O8 Mo8 2.108(6) .
Mo8 O28 1.893(8) .
Mo8 O29 2.265(6) .
Mo9 O15 1.690(11) .
Mo9 O16 2.308(8) .
Mo10 O19 1.888(7) .
Mo10 O16 2.318(6) .
N4 C12 1.308(16) .
N4 C11 1.312(14) .
N2 C4 1.315(17) .
N2 C2 1.355(15) .
C1 C6 1.386(13) .
C10 C9 1.365(12) .
C10 C9 1.365(12) 6_565
C6 C7 1.347(14) .
C9 C8 1.379(12) .
C11 C14 1.399(19) .
C4 C5 1.35(2) .
C2 C3 1.35(2) .
C3 C13 1.33(2) .
C5 C13 1.40(2) .
C12 C16 1.38(2) .
C14 C15 1.30(3) .
C15 C16 1.35(3) .
