#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/27/2212768.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_2212768
loop_
_publ_author_name
'Zhou, Da-Peng'
'Guo, Gui-Ling'
_publ_section_title
;
 Bis[tris(1,10-phenanthroline-κ²N,N')manganese(II)]
 dodecatungstogermanate dihydrate
;
_journal_coeditor_code           BH2076
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1122
_journal_page_last               m1124
_journal_paper_doi               10.1107/S1600536807012196
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Mn (C12 H8 N2)3]2 [Ge W12 O40] , 2H2 O'
_chemical_formula_moiety         '2C36 H24 Mn N6 2+ , Ge O40 W12 4- , 2H2 O'
_chemical_formula_sum            'C72 H52 Ge Mn2 N12 O42 W12'
_chemical_formula_weight         4145.93
_chemical_name_systematic
;
Bis[tris(1,10-phenanthroline-κ²N,N')manganese(II)] dodecatungstogermanate
dihydrate
;
_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           SHELXL97
_cell_angle_alpha                104.642(2)
_cell_angle_beta                 109.2560(10)
_cell_angle_gamma                93.877(2)
_cell_formula_units_Z            1
_cell_length_a                   12.4210(15)
_cell_length_b                   13.8640(16)
_cell_length_c                   14.4979(17)
_cell_measurement_reflns_used    320
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2.5
_cell_volume                     2249.0(5)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2002)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0696
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11641
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    15.966
_exptl_absorpt_correction_T_max  0.091
_exptl_absorpt_correction_T_min  0.074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    3.061
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1874
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.166
_refine_diff_density_min         -2.256
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     665
_refine_ls_number_reflns         7765
_refine_ls_number_restraints     213
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0688
_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)+(0.0545P)²+86.3193P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1497
_refine_ls_wR_factor_ref         0.1632
_reflns_number_gt                5537
_reflns_number_total             7765
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bh2076.cif
_cod_data_source_block           I
_cod_database_code               2212768
_cod_database_fobs_code          2212768
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
Mn Mn1 -0.28874(19) 0.64849(18) 0.30838(18) 0.0167(5) Uani d . 1
Ge Ge1 0.0000 0.0000 0.0000 0.0226(5) Uani d SU 1
W W1 -0.22922(8) 0.09678(7) 0.06487(7) 0.0450(3) Uani d U 1
W W2 -0.19250(9) 0.11786(7) -0.15972(7) 0.0521(3) Uani d U 1
W W3 -0.28856(8) -0.12065(7) -0.14183(7) 0.0504(3) Uani d U 1
W W4 0.09786(7) 0.23549(6) -0.02109(8) 0.0451(3) Uani d U 1
W W5 0.06115(7) 0.21903(6) 0.20648(6) 0.0389(2) Uani d U 1
W W6 -0.03464(8) -0.01671(8) 0.22932(7) 0.0478(3) Uani d U 1
O O1 -0.3346(12) 0.1437(12) 0.0981(14) 0.061(5) Uani d . 1
O O2 -0.2810(12) 0.1729(10) -0.2358(10) 0.041(3) Uani d . 1
O O3 -0.4217(11) -0.1776(12) -0.2082(11) 0.054(4) Uani d . 1
O O4 0.1451(14) 0.3482(11) -0.0263(13) 0.058(4) Uani d . 1
O O5 0.0913(17) 0.3221(12) 0.3065(13) 0.086(6) Uani d U 1
O O6 -0.0541(15) -0.0226(14) 0.3347(13) 0.068(5) Uani d . 1
O O7 -0.2904(15) -0.0134(13) -0.2045(13) 0.065(3) Uani d U 1
O O8 -0.2438(15) 0.1519(13) -0.0447(13) 0.066(3) Uani d U 1
O O9 -0.3177(15) -0.0273(14) -0.0305(13) 0.069(3) Uani d U 1
O O10 -0.0622(14) 0.2224(13) -0.0873(12) 0.062(3) Uani d U 1
O O11 0.1106(14) -0.0598(14) 0.2462(14) 0.081(5) Uani d U 1
O O12 0.2122(14) 0.1858(18) 0.2271(14) 0.088(7) Uani d . 1
O O13 0.2386(14) 0.2019(17) 0.0548(14) 0.079(6) Uani d . 1
O O14 0.1080(14) 0.1518(14) -0.1389(15) 0.087(5) Uani d U 1
O O15 0.0413(13) 0.1190(12) 0.2721(12) 0.058(3) Uani d U 1
O O16 -0.1750(13) 0.0260(12) 0.1641(12) 0.058(3) Uani d U 1
O O17 0.0683(13) 0.2733(16) 0.1027(14) 0.073(6) Uani d . 1
O O18 -0.1011(13) 0.2046(12) 0.1502(12) 0.054(3) Uani d U 1
O O19 -0.150(2) 0.018(2) -0.046(2) 0.043(3) Uani d PU 0.50
O O20 0.083(2) 0.1120(18) 0.0667(19) 0.031(4) Uani d PU 0.50
O O21 0.004(2) -0.079(2) 0.0834(18) 0.036(4) Uani d PU 0.50
O O22 0.0336(19) -0.0619(16) -0.0979(16) 0.0224(9) Uani d PU 0.50
N N1 -0.1146(13) 0.7046(12) 0.3468(11) 0.034(4) Uani d . 1
N N2 -0.2450(15) 0.5364(13) 0.2041(13) 0.041(4) Uani d . 1
N N3 -0.2585(14) 0.5614(11) 0.4115(12) 0.036(4) Uani d . 1
N N4 -0.4595(14) 0.5743(11) 0.2680(12) 0.034(4) Uani d . 1
N N5 -0.3118(12) 0.7776(11) 0.4079(11) 0.029(3) Uani d . 1
N N6 -0.3439(14) 0.7326(14) 0.2057(13) 0.040(4) Uani d . 1
C C1 -0.0528(13) 0.7874(16) 0.4194(16) 0.041(5) Uani d D 1
H H1A -0.0869 0.8248 0.4617 0.049 Uiso calc R 1
C C2 0.0624(13) 0.8203(14) 0.4343(15) 0.051(6) Uani d D 1
H H2A 0.1041 0.8785 0.4860 0.061 Uiso calc R 1
C C3 0.1138(14) 0.7648(12) 0.3709(13) 0.043(5) Uani d D 1
H H3A 0.1903 0.7852 0.3798 0.051 Uiso calc R 1
C C4 0.0481(12) 0.6779(11) 0.2937(12) 0.034(5) Uani d D 1
C C5 -0.0664(12) 0.6513(15) 0.2850(14) 0.031(4) Uani d D 1
C C6 0.0926(16) 0.6138(13) 0.2284(14) 0.046(6) Uani d D 1
H H6A 0.1680 0.6323 0.2331 0.056 Uiso calc R 1
C C7 0.0276(12) 0.5232(14) 0.1566(15) 0.044(5) Uani d D 1
H H7A 0.0603 0.4816 0.1159 0.053 Uiso calc R 1
C C8 -0.0873(13) 0.4956(11) 0.1466(12) 0.036(5) Uani d D 1
C C9 -0.1336(15) 0.5606(13) 0.2093(13) 0.029(4) Uani d D 1
C C10 -0.1581(13) 0.4064(12) 0.0753(14) 0.039(5) Uani d D 1
H H10A -0.1304 0.3629 0.0314 0.047 Uiso calc R 1
C C11 -0.2709(14) 0.3850(13) 0.0720(14) 0.040(5) Uani d D 1
H H11A -0.3191 0.3254 0.0277 0.048 Uiso calc R 1
C C12 -0.3100(17) 0.4545(14) 0.1363(15) 0.045(5) Uani d D 1
H H12A -0.3868 0.4417 0.1304 0.055 Uiso calc R 1
C C13 -0.1608(19) 0.5534(13) 0.4793(14) 0.042(5) Uani d D 1
H H13A -0.0929 0.5921 0.4863 0.050 Uiso calc R 1
C C14 -0.1544(15) 0.4894(14) 0.5414(15) 0.048(6) Uani d D 1
H H14A -0.0848 0.4864 0.5902 0.058 Uiso calc R 1
C C15 -0.2581(14) 0.4305(15) 0.5261(16) 0.064(8) Uani d D 1
H H15A -0.2563 0.3850 0.5639 0.077 Uiso calc R 1
C C16 -0.3645(13) 0.4371(13) 0.4564(14) 0.036(5) Uani d D 1
C C17 -0.3580(16) 0.5020(12) 0.3976(13) 0.031(4) Uani d D 1
C C18 -0.4684(14) 0.3791(15) 0.4421(15) 0.057(7) Uani d D 1
H H18A -0.4695 0.3373 0.4829 0.068 Uiso calc R 1
C C19 -0.5703(16) 0.3843(14) 0.3666(14) 0.045(5) Uani d D 1
H H19A -0.6393 0.3441 0.3552 0.053 Uiso calc R 1
C C20 -0.5681(12) 0.4503(13) 0.3083(13) 0.041(5) Uani d D 1
C C21 -0.4635(12) 0.5076(13) 0.3228(14) 0.029(4) Uani d D 1
C C22 -0.6660(14) 0.4579(15) 0.2297(14) 0.048(6) Uani d D 1
H H22A -0.7364 0.4187 0.2158 0.057 Uiso calc R 1
C C23 -0.6604(14) 0.5231(15) 0.1717(15) 0.049(6) Uani d D 1
H H23A -0.7249 0.5297 0.1198 0.059 Uiso calc R 1
C C24 -0.5508(13) 0.5776(16) 0.1971(15) 0.041(5) Uani d D 1
H H24A -0.5442 0.6204 0.1585 0.050 Uiso calc R 1
C C25 -0.2938(18) 0.7953(14) 0.5059(15) 0.045(5) Uani d D 1
H H25A -0.2714 0.7453 0.5372 0.054 Uiso calc R 1
C C26 -0.308(2) 0.8876(13) 0.5639(14) 0.058(7) Uani d D 1
H H26A -0.2950 0.8982 0.6329 0.070 Uiso calc R 1
C C27 -0.341(2) 0.9639(17) 0.5190(14) 0.064(7) Uani d D 1
H H27A -0.3490 1.0258 0.5575 0.077 Uiso calc R 1
C C28 -0.3615(19) 0.9452(14) 0.4147(14) 0.057(7) Uani d D 1
C C29 -0.3470(15) 0.8501(13) 0.3623(13) 0.039(5) Uani d D 1
C C30 -0.398(2) 1.0145(17) 0.3595(18) 0.076(9) Uani d D 1
H H30A -0.4081 1.0779 0.3930 0.091 Uiso calc R 1
C C31 -0.419(2) 0.9893(16) 0.2549(18) 0.077(9) Uani d D 1
H H31A -0.4437 1.0361 0.2199 0.092 Uiso calc R 1
C C32 -0.4031(17) 0.8951(13) 0.2014(12) 0.041(5) Uani d DU 1
C C33 -0.3663(14) 0.8257(15) 0.2555(15) 0.037(5) Uani d D 1
C C34 -0.428(2) 0.8709(18) 0.0966(13) 0.064(8) Uani d D 1
H H34A -0.4562 0.9155 0.0597 0.077 Uiso calc R 1
C C35 -0.4077(17) 0.7763(17) 0.0496(16) 0.060(7) Uani d D 1
H H35A -0.4215 0.7560 -0.0200 0.071 Uiso calc R 1
C C36 -0.3662(18) 0.7126(18) 0.1098(15) 0.052(6) Uani d D 1
H H36A -0.3538 0.6499 0.0768 0.062 Uiso calc R 1
O O1W -0.367(3) 0.291(3) 0.246(3) 0.094(16) Uani d P 0.50
O O2W -0.404(4) 0.236(4) -0.398(4) 0.112(18) Uani d P 0.50
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'
Mn Mn 0.3368 0.7283 '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'
W W -0.8490 6.8722 '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
N1 Mn1 N6 . . 92.9(6)
N1 Mn1 N5 . . 92.4(6)
N6 Mn1 N5 . . 81.2(6)
N1 Mn1 N3 . . 95.2(6)
N6 Mn1 N3 . . 171.5(6)
N5 Mn1 N3 . . 95.9(6)
N1 Mn1 N2 . . 79.3(6)
N6 Mn1 N2 . . 93.4(7)
N5 Mn1 N2 . . 169.9(6)
N3 Mn1 N2 . . 90.7(6)
N1 Mn1 N4 . . 173.1(6)
N6 Mn1 N4 . . 91.8(6)
N5 Mn1 N4 . . 93.2(6)
N3 Mn1 N4 . . 80.3(6)
N2 Mn1 N4 . . 95.5(6)
O22 Ge1 O22 . 2 180(2)
O22 Ge1 O20 . 2 65.5(11)
O22 Ge1 O20 2 2 114.5(11)
O22 Ge1 O20 . . 114.5(11)
O22 Ge1 O20 2 . 65.5(11)
O20 Ge1 O20 2 . 180(3)
O22 Ge1 O21 . 2 70.7(11)
O22 Ge1 O21 2 2 109.3(11)
O20 Ge1 O21 2 2 110.0(12)
O20 Ge1 O21 . 2 70.0(12)
O22 Ge1 O21 . . 109.3(11)
O22 Ge1 O21 2 . 70.7(11)
O20 Ge1 O21 2 . 70.0(12)
O20 Ge1 O21 . . 110.0(12)
O21 Ge1 O21 2 . 180.0(12)
O22 Ge1 O19 . . 109.2(11)
O22 Ge1 O19 2 . 70.8(11)
O20 Ge1 O19 2 . 71.0(12)
O20 Ge1 O19 . . 109.0(12)
O21 Ge1 O19 2 . 75.6(12)
O21 Ge1 O19 . . 104.4(12)
O22 Ge1 O19 . 2 70.8(11)
O22 Ge1 O19 2 2 109.2(11)
O20 Ge1 O19 2 2 109.0(12)
O20 Ge1 O19 . 2 71.0(12)
O21 Ge1 O19 2 2 104.4(12)
O21 Ge1 O19 . 2 75.6(12)
O19 Ge1 O19 . 2 180(2)
O1 W1 O8 . . 98.1(8)
O1 W1 O9 . . 97.9(8)
O8 W1 O9 . . 89.5(8)
O1 W1 O16 . . 100.0(8)
O8 W1 O16 . . 161.9(7)
O9 W1 O16 . . 88.8(7)
O1 W1 O18 . . 100.0(7)
O8 W1 O18 . . 88.5(7)
O9 W1 O18 . . 162.1(7)
O16 W1 O18 . . 87.6(6)
O1 W1 O19 . . 154.8(9)
O8 W1 O19 . . 65.6(9)
O9 W1 O19 . . 64.5(9)
O16 W1 O19 . . 97.6(9)
O18 W1 O19 . . 98.6(9)
O1 W1 O22 . 2 154.2(8)
O8 W1 O22 . 2 98.6(7)
O9 W1 O22 . 2 101.7(7)
O16 W1 O22 . 2 64.2(7)
O18 W1 O22 . 2 61.1(7)
O19 W1 O22 . 2 50.9(9)
O2 W2 O10 . . 101.7(7)
O2 W2 O11 . 2 99.6(8)
O10 W2 O11 . 2 87.8(7)
O2 W2 O8 . . 99.5(7)
O10 W2 O8 . . 89.9(7)
O11 W2 O8 2 . 160.9(8)
O2 W2 O7 . . 98.3(7)
O10 W2 O7 . . 160.0(7)
O11 W2 O7 2 . 88.4(8)
O8 W2 O7 . . 87.4(7)
O2 W2 O19 . . 153.3(8)
O10 W2 O19 . . 98.0(8)
O11 W2 O19 2 . 99.1(9)
O8 W2 O19 . . 62.5(8)
O7 W2 O19 . . 63.3(8)
O2 W2 O21 . 2 151.1(7)
O10 W2 O21 . 2 59.3(8)
O11 W2 O21 2 2 60.9(8)
O8 W2 O21 . 2 101.8(8)
O7 W2 O21 . 2 101.9(8)
O19 W2 O21 . 2 55.6(9)
O3 W3 O13 . 2 100.9(9)
O3 W3 O12 . 2 100.4(8)
O13 W3 O12 2 2 90.8(7)
O3 W3 O7 . . 97.7(8)
O13 W3 O7 2 . 161.4(8)
O12 W3 O7 2 . 87.0(7)
O3 W3 O9 . . 98.1(7)
O13 W3 O9 2 . 87.8(8)
O12 W3 O9 2 . 161.4(8)
O7 W3 O9 . . 88.5(7)
O3 W3 O19 . . 153.8(9)
O13 W3 O19 2 . 96.7(10)
O12 W3 O19 2 . 98.7(10)
O7 W3 O19 . . 65.5(9)
O9 W3 O19 . . 63.2(9)
O3 W3 O20 . 2 155.1(8)
O13 W3 O20 2 2 63.8(8)
O12 W3 O20 2 2 62.4(8)
O7 W3 O20 . 2 99.1(8)
O9 W3 O20 . 2 100.7(8)
O19 W3 O20 . 2 51.1(9)
O4 W4 O14 . . 101.1(9)
O4 W4 O10 . . 102.0(8)
O14 W4 O10 . . 89.9(7)
O4 W4 O13 . . 100.3(8)
O14 W4 O13 . . 88.7(8)
O10 W4 O13 . . 157.4(8)
O4 W4 O17 . . 100.4(8)
O14 W4 O17 . . 158.5(9)
O10 W4 O17 . . 86.0(7)
O13 W4 O17 . . 87.1(7)
O4 W4 O21 . 2 155.7(8)
O14 W4 O21 . 2 62.2(9)
O10 W4 O21 . 2 62.9(8)
O13 W4 O21 . 2 96.9(9)
O17 W4 O21 . 2 97.5(8)
O4 W4 O20 . . 153.5(8)
O14 W4 O20 . . 99.5(9)
O10 W4 O20 . . 94.5(8)
O13 W4 O20 . . 63.6(8)
O17 W4 O20 . . 60.0(8)
O21 W4 O20 2 . 50.7(8)
O5 W5 O17 . . 102.7(10)
O5 W5 O18 . . 100.8(8)
O17 W5 O18 . . 88.3(6)
O5 W5 O12 . . 100.2(10)
O17 W5 O12 . . 90.5(6)
O18 W5 O12 . . 158.7(9)
O5 W5 O15 . . 98.4(9)
O17 W5 O15 . . 158.9(8)
O18 W5 O15 . . 87.9(6)
O12 W5 O15 . . 85.6(7)
O5 W5 O20 . . 157.3(10)
O17 W5 O20 . . 62.8(9)
O18 W5 O20 . . 96.3(8)
O12 W5 O20 . . 64.5(9)
O15 W5 O20 . . 97.0(8)
O5 W5 O22 . 2 156.6(10)
O17 W5 O22 . 2 94.9(9)
O18 W5 O22 . 2 64.2(7)
O12 W5 O22 . 2 94.8(9)
O15 W5 O22 . 2 64.8(7)
O20 W5 O22 . 2 46.0(8)
O6 W6 O11 . . 102.4(9)
O6 W6 O15 . . 99.9(8)
O11 W6 O15 . . 88.9(8)
O6 W6 O16 . . 99.5(8)
O11 W6 O16 . . 158.1(8)
O15 W6 O16 . . 88.8(7)
O6 W6 O14 . 2 101.1(9)
O11 W6 O14 . 2 88.2(7)
O15 W6 O14 . 2 159.0(9)
O16 W6 O14 . 2 86.2(7)
O6 W6 O21 . . 154.9(9)
O11 W6 O21 . . 63.4(8)
O15 W6 O21 . . 100.3(9)
O16 W6 O21 . . 95.7(8)
O14 W6 O21 2 . 60.0(10)
O6 W6 O22 . 2 154.6(8)
O11 W6 O22 . 2 95.6(8)
O15 W6 O22 . 2 62.4(7)
O16 W6 O22 . 2 64.2(7)
O14 W6 O22 2 2 97.2(9)
O21 W6 O22 . 2 50.4(8)
W3 O7 W2 . . 132.0(9)
W1 O8 W2 . . 133.0(10)
W1 O9 W3 . . 130.9(9)
W4 O10 W2 . . 138.6(10)
W6 O11 W2 . 2 137.1(10)
W3 O12 W5 2 . 135.4(11)
W3 O13 W4 2 . 138.3(10)
W4 O14 W6 . 2 135.8(13)
W6 O15 W5 . . 136.0(9)
W6 O16 W1 . . 137.3(9)
W5 O17 W4 . . 139.4(11)
W5 O18 W1 . . 137.1(9)
Ge1 O19 W1 . . 120.0(13)
Ge1 O19 W3 . . 118.7(14)
W1 O19 W3 . . 101.4(11)
Ge1 O19 W2 . . 115.0(13)
W1 O19 W2 . . 99.0(11)
W3 O19 W2 . . 99.2(10)
Ge1 O20 O22 . 2 57.0(10)
Ge1 O20 W5 . . 124.2(12)
O22 O20 W5 2 . 67.2(10)
Ge1 O20 W3 . 2 119.2(12)
O22 O20 W3 2 2 131.0(15)
W5 O20 W3 . 2 96.6(9)
Ge1 O20 W4 . . 118.8(13)
O22 O20 W4 2 . 132.2(14)
W5 O20 W4 . . 97.4(9)
W3 O20 W4 2 . 94.2(8)
Ge1 O21 W4 . 2 120.5(13)
Ge1 O21 W6 . . 119.2(13)
W4 O21 W6 2 . 101.9(9)
Ge1 O21 W2 . 2 113.8(11)
W4 O21 W2 2 2 99.1(10)
W6 O21 W2 . 2 98.5(9)
Ge1 O22 O20 . 2 57.4(10)
Ge1 O22 W5 . 2 124.2(12)
O20 O22 W5 2 2 66.8(10)
Ge1 O22 W1 . 2 118.3(10)
O20 O22 W1 2 2 131.5(13)
W5 O22 W1 2 2 97.4(8)
Ge1 O22 W6 . 2 119.7(11)
O20 O22 W6 2 2 131.7(13)
W5 O22 W6 2 2 96.7(8)
W1 O22 W6 2 2 94.2(8)
C1 N1 C5 . . 119.2(16)
C1 N1 Mn1 . . 127.3(13)
C5 N1 Mn1 . . 113.4(11)
C12 N2 C9 . . 119.2(17)
C12 N2 Mn1 . . 128.8(13)
C9 N2 Mn1 . . 111.9(12)
C13 N3 C17 . . 118.8(16)
C13 N3 Mn1 . . 130.0(13)
C17 N3 Mn1 . . 111.1(11)
C24 N4 C21 . . 119.0(16)
C24 N4 Mn1 . . 129.0(13)
C21 N4 Mn1 . . 111.7(11)
C25 N5 C29 . . 119.0(16)
C25 N5 Mn1 . . 127.9(13)
C29 N5 Mn1 . . 113.1(11)
C36 N6 C33 . . 117.3(18)
C36 N6 Mn1 . . 132.6(16)
C33 N6 Mn1 . . 110.0(11)
N1 C1 C2 . . 121.9(19)
N1 C1 H1A . . 119.0
C2 C1 H1A . . 119.0
C3 C2 C1 . . 119.3(17)
C3 C2 H2A . . 120.3
C1 C2 H2A . . 120.3
C2 C3 C4 . . 118.7(15)
C2 C3 H3A . . 120.7
C4 C3 H3A . . 120.7
C3 C4 C5 . . 117.7(15)
C3 C4 C6 . . 123.5(14)
C5 C4 C6 . . 118.8(15)
N1 C5 C4 . . 123.2(16)
N1 C5 C9 . . 118.2(13)
C4 C5 C9 . . 118.6(15)
C7 C6 C4 . . 122.5(17)
C7 C6 H6A . . 118.8
C4 C6 H6A . . 118.8
C6 C7 C8 . . 119.5(17)
C6 C7 H7A . . 120.2
C8 C7 H7A . . 120.2
C7 C8 C9 . . 118.4(15)
C7 C8 C10 . . 122.6(14)
C9 C8 C10 . . 119.0(14)
N2 C9 C8 . . 120.9(16)
N2 C9 C5 . . 116.8(14)
C8 C9 C5 . . 122.2(15)
C11 C10 C8 . . 118.3(15)
C11 C10 H10A . . 120.9
C8 C10 H10A . . 120.9
C12 C11 C10 . . 118.8(17)
C12 C11 H11A . . 120.6
C10 C11 H11A . . 120.6
N2 C12 C11 . . 123.6(18)
N2 C12 H12A . . 118.2
C11 C12 H12A . . 118.2
N3 C13 C14 . . 123.2(19)
N3 C13 H13A . . 118.4
C14 C13 H13A . . 118.4
C15 C14 C13 . . 116.5(18)
C15 C14 H14A . . 121.8
C13 C14 H14A . . 121.8
C14 C15 C16 . . 122.7(17)
C14 C15 H15A . . 118.7
C16 C15 H15A . . 118.7
C18 C16 C15 . . 122.7(14)
C18 C16 C17 . . 122.5(16)
C15 C16 C17 . . 114.8(16)
N3 C17 C16 . . 123.8(16)
N3 C17 C21 . . 119.6(13)
C16 C17 C21 . . 116.6(15)
C19 C18 C16 . . 119.8(18)
C19 C18 H18A . . 120.1
C16 C18 H18A . . 120.1
C18 C19 C20 . . 119.5(17)
C18 C19 H19A . . 120.3
C20 C19 H19A . . 120.3
C22 C20 C19 . . 122.9(15)
C22 C20 C21 . . 116.8(14)
C19 C20 C21 . . 120.2(15)
N4 C21 C20 . . 121.3(15)
N4 C21 C17 . . 117.3(13)
C20 C21 C17 . . 121.4(15)
C23 C22 C20 . . 121.4(16)
C23 C22 H22A . . 119.3
C20 C22 H22A . . 119.3
C22 C23 C24 . . 115.1(18)
C22 C23 H23A . . 122.4
C24 C23 H23A . . 122.4
N4 C24 C23 . . 126.1(19)
N4 C24 H24A . . 116.9
C23 C24 H24A . . 116.9
N5 C25 C26 . . 121(2)
N5 C25 H25A . . 119.3
C26 C25 H25A . . 119.3
C27 C26 C25 . . 120.5(19)
C27 C26 H26A . . 119.8
C25 C26 H26A . . 119.8
C26 C27 C28 . . 118.5(19)
C26 C27 H27A . . 120.8
C28 C27 H27A . . 120.8
C27 C28 C29 . . 117.2(17)
C27 C28 C30 . . 124.3(18)
C29 C28 C30 . . 118.5(18)
N5 C29 C28 . . 123.5(16)
N5 C29 C33 . . 116.1(15)
C28 C29 C33 . . 120.4(17)
C31 C30 C28 . . 121(2)
C31 C30 H30A . . 119.6
C28 C30 H30A . . 119.6
C30 C31 C32 . . 122(2)
C30 C31 H31A . . 119.2
C32 C31 H31A . . 119.2
C34 C32 C33 . . 121.4(18)
C34 C32 C31 . . 120.3(18)
C33 C32 C31 . . 118.2(18)
C32 C33 N6 . . 119.9(17)
C32 C33 C29 . . 120.5(18)
N6 C33 C29 . . 119.6(14)
C32 C34 C35 . . 117(2)
C32 C34 H34A . . 121.7
C35 C34 H34A . . 121.7
C34 C35 C36 . . 119(2)
C34 C35 H35A . . 120.7
C36 C35 H35A . . 120.7
N6 C36 C35 . . 126(2)
N6 C36 H36A . . 116.9
C35 C36 H36A . . 116.9
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ge1 O19 . 1.81(3) yes
Ge1 O20 . 1.67(2) yes
Ge1 O21 . 1.81(2) yes
Ge1 O22 . 1.66(2) yes
Ge1 O19 2 1.81(3) ?
Ge1 O20 2 1.67(2) ?
Ge1 O21 2 1.81(2) ?
Ge1 O22 2 1.66(2) ?
W1 O1 . 1.656(14) yes
W2 O2 . 1.657(12) yes
W3 O3 . 1.635(13) yes
W4 O4 . 1.661(14) yes
W5 O5 . 1.675(15) yes
W6 O6 . 1.644(16) yes
W1 O8 . 1.893(17) ?
W1 O9 . 1.902(18) ?
W1 O16 . 1.911(14) ?
W1 O18 . 1.934(15) ?
W2 O7 . 1.947(17) ?
W2 O8 . 1.938(17) ?
W2 O10 . 1.901(17) ?
W2 O11 2 1.923(17) ?
W3 O7 . 1.926(17) ?
W3 O9 . 1.951(18) ?
W3 O12 2 1.889(19) ?
W3 O13 2 1.882(15) ?
W4 O10 . 1.873(16) ?
W4 O13 . 1.894(15) ?
W4 O14 . 1.854(18) ?
W4 O17 . 1.902(17) ?
W5 O12 . 1.907(16) ?
W5 O15 . 1.914(15) ?
W5 O17 . 1.868(15) ?
W5 O18 . 1.884(15) ?
W6 O11 . 1.897(16) ?
W6 O14 2 1.949(17) ?
W6 O15 . 1.897(16) ?
W6 O16 . 1.903(15) ?
W1 O19 . 2.25(3) yes
W1 O22 2 2.42(2) yes
W2 O19 . 2.37(3) yes
W2 O21 2 2.40(2) yes
W3 O19 . 2.28(3) yes
W3 O20 2 2.41(2) yes
W4 O20 . 2.41(2) yes
W4 O21 2 2.24(3) yes
W5 O20 . 2.30(2) yes
W5 O22 2 2.30(2) yes
W6 O21 . 2.29(2) yes
W6 O22 2 2.42(2) yes
O11 W2 2 1.923(17) ?
O12 W3 2 1.889(19) ?
O13 W3 2 1.882(15) ?
O14 W6 2 1.949(17) ?
O20 O22 2 1.80(3) ?
O20 W3 2 2.41(2) ?
O21 W4 2 2.24(3) ?
O21 W2 2 2.40(2) ?
O22 O20 2 1.80(3) ?
O22 W5 2 2.30(2) ?
O22 W1 2 2.42(2) ?
O22 W6 2 2.42(2) ?
Mn1 N1 . 2.086(15) yes
Mn1 N2 . 2.113(17) yes
Mn1 N3 . 2.107(17) yes
Mn1 N4 . 2.117(16) yes
Mn1 N5 . 2.099(15) yes
Mn1 N6 . 2.088(17) yes
N1 C1 . 1.32(2) ?
N1 C5 . 1.34(2) ?
N2 C12 . 1.30(2) ?
N2 C9 . 1.37(2) ?
N3 C13 . 1.32(2) ?
N3 C17 . 1.36(2) ?
N4 C24 . 1.27(2) ?
N4 C21 . 1.37(2) ?
N5 C25 . 1.32(2) ?
N5 C29 . 1.36(2) ?
N6 C36 . 1.28(2) ?
N6 C33 . 1.41(3) ?
C1 C2 . 1.399(10) ?
C1 H1A . 0.9300 ?
C2 C3 . 1.393(10) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.398(10) ?
C3 H3A . 0.9300 ?
C4 C5 . 1.400(10) ?
C4 C6 . 1.406(10) ?
C5 C9 . 1.43(2) ?
C6 C7 . 1.400(10) ?
C6 H6A . 0.9300 ?
C7 C8 . 1.402(10) ?
C7 H7A . 0.9300 ?
C8 C9 . 1.403(10) ?
C8 C10 . 1.406(10) ?
C10 C11 . 1.395(10) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.393(10) ?
C11 H11A . 0.9300 ?
C12 H12A . 0.9300 ?
C13 C14 . 1.404(10) ?
C13 H13A . 0.9300 ?
C14 C15 . 1.398(10) ?
C14 H14A . 0.9300 ?
C15 C16 . 1.400(10) ?
C15 H15A . 0.9300 ?
C16 C18 . 1.398(10) ?
C16 C17 . 1.402(10) ?
C17 C21 . 1.42(2) ?
C18 C19 . 1.394(10) ?
C18 H18A . 0.9300 ?
C19 C20 . 1.399(10) ?
C19 H19A . 0.9300 ?
C20 C22 . 1.397(10) ?
C20 C21 . 1.400(10) ?
C22 C23 . 1.394(10) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.396(10) ?
C23 H23A . 0.9300 ?
C24 H24A . 0.9300 ?
C25 C26 . 1.400(10) ?
C25 H25A . 0.9300 ?
C26 C27 . 1.393(10) ?
C26 H26A . 0.9300 ?
C27 C28 . 1.400(10) ?
C27 H27A . 0.9300 ?
C28 C29 . 1.401(10) ?
C28 C30 . 1.406(10) ?
C29 C33 . 1.43(3) ?
C30 C31 . 1.395(10) ?
C30 H30A . 0.9300 ?
C31 C32 . 1.402(10) ?
C31 H31A . 0.9300 ?
C32 C34 . 1.391(10) ?
C32 C33 . 1.398(10) ?
C34 C35 . 1.398(10) ?
C34 H34A . 0.9300 ?
C35 C36 . 1.399(10) ?
C35 H35A . 0.9300 ?
C36 H36A . 0.9300 ?
