#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:50:02 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179766 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/62/7006258.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_7006258
loop_
_publ_author_name
'Schenk, Christian'
'Schnepf, Andreas'
_publ_section_title
;
 Ge4Br4[Mn(CO)5]4 and Ge6Br2[Mn(CO)5]6: first germanium cluster
 compounds containing Mn(CO)5 ligands.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5400
_journal_page_last               5404
_journal_paper_doi               10.1039/b711404d
_journal_year                    2007
_chemical_formula_sum            'C38 H16 Br2 Ge6 Mn6 O32'
_chemical_formula_weight         1909.51
_chemical_name_systematic
;
?
;
_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                92.677(7)
_cell_angle_beta                 98.768(6)
_cell_angle_gamma                97.127(6)
_cell_formula_units_Z            2
_cell_length_a                   11.8044(9)
_cell_length_b                   12.0886(10)
_cell_length_c                   20.6794(17)
_cell_measurement_reflns_used    19599
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.97
_cell_measurement_theta_min      1.64
_cell_volume                     2887.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      155(2)
_diffrn_measured_fraction_theta_full 0.927
_diffrn_measured_fraction_theta_max 0.927
_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  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20623
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    5.811
_exptl_absorpt_correction_T_max  0.6780
_exptl_absorpt_correction_T_min  0.4674
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.196
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.800
_refine_diff_density_min         -2.297
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     753
_refine_ls_number_reflns         10557
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0956P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1417
_refine_ls_wR_factor_ref         0.1567
_reflns_number_gt                7300
_reflns_number_total             10557
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b711404d.txt
_cod_data_source_block           cs64tric
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006258
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Br1 Br 0.02532(10) -0.52960(8) 0.26619(5) 0.0551(3) Uani 1 1 d . . .
Br2 Br 0.24084(11) -0.04331(9) 0.11369(6) 0.0592(3) Uani 1 1 d . . .
Ge1 Ge 0.10155(8) -0.04632(6) 0.18734(4) 0.0350(2) Uani 1 1 d . . .
Ge2 Ge 0.15139(8) -0.37436(7) 0.32422(4) 0.0356(2) Uani 1 1 d . . .
Ge3 Ge 0.03615(8) -0.21483(7) 0.31337(4) 0.0332(2) Uani 1 1 d . . .
Ge4 Ge 0.02800(8) -0.24740(6) 0.19093(4) 0.03094(19) Uani 1 1 d . . .
Ge5 Ge 0.23332(8) -0.27424(6) 0.23561(4) 0.0323(2) Uani 1 1 d . . .
Ge6 Ge 0.21290(8) -0.09090(6) 0.29323(4) 0.0329(2) Uani 1 1 d . . .
Mn1 Mn 0.25816(12) -0.45256(11) 0.42409(7) 0.0404(3) Uani 1 1 d . . .
Mn2 Mn -0.01127(13) 0.11458(10) 0.15789(6) 0.0379(3) Uani 1 1 d . . .
Mn3 Mn -0.11828(12) -0.17675(11) 0.38067(6) 0.0385(3) Uani 1 1 d . . .
Mn4 Mn -0.11554(12) -0.35577(10) 0.09896(6) 0.0348(3) Uani 1 1 d . . .
Mn5 Mn 0.38455(12) -0.34145(11) 0.17513(7) 0.0394(3) Uani 1 1 d . . .
Mn6 Mn 0.35428(12) 0.05195(10) 0.36702(6) 0.0373(3) Uani 1 1 d . . .
O1A O 0.4434(6) -0.2668(5) 0.4101(3) 0.0505(16) Uani 1 1 d . . .
O1D O 0.3391(7) -0.6007(6) 0.3259(4) 0.062(2) Uani 1 1 d . . .
O1E O 0.1497(8) -0.3026(6) 0.5084(4) 0.066(2) Uani 1 1 d . . .
O1B O 0.0521(7) -0.6242(6) 0.4236(4) 0.068(2) Uani 1 1 d . . .
O1C O 0.3924(8) -0.5447(7) 0.5384(4) 0.072(2) Uani 1 1 d . . .
O2B O 0.1884(7) 0.2198(6) 0.0984(4) 0.0612(19) Uani 1 1 d . . .
O2D O 0.1052(7) 0.2227(6) 0.2886(3) 0.0575(18) Uani 1 1 d . . .
O2C O -0.1048(7) -0.0269(5) 0.0345(3) 0.0526(17) Uani 1 1 d . . .
O2A O -0.1437(7) 0.3014(6) 0.1205(4) 0.061(2) Uani 1 1 d . . .
O2E O -0.2052(7) -0.0047(6) 0.2154(3) 0.0553(18) Uani 1 1 d . . .
O3A O -0.3109(7) -0.1452(8) 0.4539(4) 0.070(2) Uani 1 1 d . . .
O3D O -0.1084(8) -0.4120(6) 0.4171(4) 0.063(2) Uani 1 1 d . . .
O3C O -0.0864(8) 0.0595(6) 0.3460(4) 0.063(2) Uani 1 1 d . . .
O3B O 0.0735(7) -0.0928(6) 0.4898(4) 0.0562(18) Uani 1 1 d . . .
O3E O -0.2753(7) -0.2463(6) 0.2537(3) 0.0553(17) Uani 1 1 d . . .
O4B O -0.2669(6) -0.1772(5) 0.1110(4) 0.0516(16) Uani 1 1 d . . .
O4A O 0.0166(6) -0.2204(6) 0.0106(3) 0.0530(17) Uani 1 1 d . . .
O4E O 0.0500(6) -0.5224(5) 0.0908(4) 0.0530(17) Uani 1 1 d . . .
O4D O -0.2858(7) -0.4641(6) -0.0140(4) 0.063(2) Uani 1 1 d . . .
O4C O -0.2354(7) -0.4774(7) 0.1972(4) 0.069(2) Uani 1 1 d . . .
O5D O 0.5239(7) -0.3760(6) 0.3041(4) 0.0575(18) Uani 1 1 d . . .
O5B O 0.2224(7) -0.3161(6) 0.0523(4) 0.0552(17) Uani 1 1 d . . .
O5C O 0.2631(7) -0.5732(5) 0.1818(4) 0.062(2) Uani 1 1 d . . .
O5A O 0.5531(7) -0.4274(8) 0.0983(4) 0.071(2) Uani 1 1 d . . .
O5E O 0.5039(7) -0.1058(6) 0.1802(4) 0.069(2) Uani 1 1 d . . .
O6E O 0.3358(7) 0.1750(5) 0.2440(3) 0.0531(17) Uani 1 1 d . . .
O6A O 0.5412(7) -0.0698(6) 0.3260(4) 0.0561(18) Uani 1 1 d . . .
O6B O 0.1484(7) 0.1347(6) 0.4139(4) 0.0590(19) Uani 1 1 d . . .
O6D O 0.3431(8) -0.0923(6) 0.4797(4) 0.064(2) Uani 1 1 d . . .
O6C O 0.5093(7) 0.2440(6) 0.4403(4) 0.0604(19) Uani 1 1 d . . .
O100 O -0.2136(16) -0.7201(13) 0.3083(13) 0.204(10) Uani 1 1 d . . .
C1A C 0.3730(9) -0.3381(7) 0.4159(5) 0.043(2) Uani 1 1 d . . .
C1E C 0.1926(9) -0.3567(8) 0.4756(5) 0.049(2) Uani 1 1 d . . .
C1D C 0.3083(9) -0.5433(7) 0.3628(5) 0.046(2) Uani 1 1 d . . .
C1C C 0.3401(10) -0.5101(9) 0.4936(5) 0.054(2) Uani 1 1 d . . .
C1B C 0.1295(10) -0.5590(8) 0.4223(5) 0.051(2) Uani 1 1 d . . .
C2D C 0.0595(9) 0.1802(7) 0.2386(5) 0.047(2) Uani 1 1 d . . .
C2C C -0.0673(9) 0.0276(7) 0.0807(5) 0.043(2) Uani 1 1 d . . .
C2B C 0.1149(10) 0.1783(7) 0.1208(5) 0.047(2) Uani 1 1 d . . .
C2A C -0.0938(9) 0.2297(7) 0.1353(5) 0.046(2) Uani 1 1 d . . .
C2E C -0.1297(9) 0.0403(7) 0.1941(5) 0.043(2) Uani 1 1 d . . .
C3D C -0.1128(9) -0.3248(8) 0.4028(5) 0.047(2) Uani 1 1 d . . .
C3C C -0.0998(9) -0.0316(9) 0.3576(4) 0.048(2) Uani 1 1 d . . .
C3B C 0.0001(9) -0.1285(7) 0.4492(5) 0.044(2) Uani 1 1 d . . .
C3A C -0.2346(9) -0.1559(9) 0.4268(5) 0.050(2) Uani 1 1 d . . .
C3E C -0.2156(9) -0.2208(8) 0.3031(5) 0.046(2) Uani 1 1 d . . .
C4B C -0.2079(9) -0.2447(7) 0.1076(4) 0.042(2) Uani 1 1 d . . .
C4A C -0.0340(8) -0.2708(7) 0.0452(4) 0.041(2) Uani 1 1 d . . .
C4E C -0.0109(9) -0.4583(7) 0.0959(4) 0.040(2) Uani 1 1 d . . .
C4D C -0.2200(9) -0.4245(8) 0.0297(5) 0.048(2) Uani 1 1 d . . .
C4C C -0.1858(9) -0.4325(8) 0.1607(5) 0.050(2) Uani 1 1 d . . .
C5D C 0.4716(8) -0.3592(7) 0.2553(5) 0.042(2) Uani 1 1 d . . .
C5C C 0.3062(9) -0.4848(8) 0.1779(5) 0.046(2) Uani 1 1 d . . .
C5B C 0.2828(9) -0.3227(7) 0.0983(5) 0.045(2) Uani 1 1 d . . .
C5A C 0.4905(10) -0.3925(9) 0.1282(5) 0.056(3) Uani 1 1 d . . .
C5E C 0.4529(10) -0.1944(9) 0.1783(5) 0.054(2) Uani 1 1 d . . .
C6E C 0.3439(8) 0.1300(7) 0.2903(5) 0.042(2) Uani 1 1 d . . .
C6D C 0.3501(9) -0.0378(7) 0.4371(5) 0.043(2) Uani 1 1 d . . .
C6C C 0.4500(10) 0.1690(8) 0.4129(5) 0.050(2) Uani 1 1 d . . .
C6B C 0.2256(10) 0.1041(7) 0.3931(4) 0.045(2) Uani 1 1 d . . .
C6A C 0.4726(9) -0.0220(7) 0.3404(4) 0.042(2) Uani 1 1 d . . .
C100 C -0.3126(15) -0.8157(13) 0.3107(13) 0.128(8) Uani 1 1 d . . .
H10A H -0.3128 -0.8748 0.2759 0.154 Uiso 1 1 calc R . .
H10B H -0.3012 -0.8491 0.3537 0.154 Uiso 1 1 calc R . .
C101 C -0.4119(9) -0.7744(9) 0.3021(7) 0.063(3) Uani 1 1 d . . .
H10C H -0.4537 -0.7927 0.3390 0.076 Uiso 1 1 calc R . .
H10D H -0.4603 -0.8094 0.2612 0.076 Uiso 1 1 calc R . .
C102 C -0.3948(13) -0.6586(13) 0.2983(10) 0.100(5) Uani 1 1 d . . .
H10E H -0.4473 -0.6225 0.3231 0.120 Uiso 1 1 calc R . .
H10F H -0.4092 -0.6389 0.2521 0.120 Uiso 1 1 calc R . .
C103 C -0.2719(14) -0.6224(12) 0.3278(7) 0.083(4) Uani 1 1 d . . .
H10G H -0.2631 -0.6103 0.3761 0.100 Uiso 1 1 calc R . .
H10H H -0.2405 -0.5530 0.3094 0.100 Uiso 1 1 calc R . .
O110 O -0.465(2) -0.775(2) -0.0093(12) 0.116(10) Uiso 0.52(3) 1 d PD A 1
C110 C -0.457(5) -0.705(3) 0.0516(19) 0.153(19) Uiso 0.52(3) 1 d PD A 1
H11A H -0.5103 -0.6480 0.0463 0.183 Uiso 0.52(3) 1 calc PR A 1
H11B H -0.3768 -0.6670 0.0661 0.183 Uiso 0.52(3) 1 calc PR A 1
C111 C -0.491(4) -0.789(4) 0.099(2) 0.148(19) Uiso 0.52(3) 1 d PD A 1
H11C H -0.5734 -0.8210 0.0868 0.177 Uiso 0.52(3) 1 calc PR A 1
H11D H -0.4764 -0.7562 0.1443 0.177 Uiso 0.52(3) 1 calc PR A 1
C112 C -0.411(4) -0.875(4) 0.088(2) 0.127(15) Uiso 0.52(3) 1 d PD A 1
H11E H -0.3378 -0.8609 0.1198 0.152 Uiso 0.52(3) 1 calc PR A 1
H11F H -0.4485 -0.9521 0.0917 0.152 Uiso 0.52(3) 1 calc PR A 1
C113 C -0.391(4) -0.856(3) 0.0199(18) 0.121(13) Uiso 0.52(3) 1 d PD A 1
H11G H -0.3090 -0.8268 0.0202 0.145 Uiso 0.52(3) 1 calc PR A 1
H11H H -0.4092 -0.9272 -0.0072 0.145 Uiso 0.52(3) 1 calc PR A 1
O120 O -0.479(4) -0.857(4) 0.001(2) 0.167(16) Uiso 0.48(3) 1 d PD A 2
C120 C -0.535(4) -0.773(4) 0.0348(19) 0.138(18) Uiso 0.48(3) 1 d PD A 2
H12A H -0.6165 -0.8042 0.0344 0.165 Uiso 0.48(3) 1 calc PR A 2
H12B H -0.5345 -0.7062 0.0090 0.165 Uiso 0.48(3) 1 calc PR A 2
C121 C -0.482(4) -0.736(4) 0.1044(19) 0.123(17) Uiso 0.48(3) 1 d PD A 2
H12C H -0.5415 -0.7204 0.1312 0.148 Uiso 0.48(3) 1 calc PR A 2
H12D H -0.4234 -0.6694 0.1067 0.148 Uiso 0.48(3) 1 calc PR A 2
C122 C -0.427(5) -0.838(4) 0.125(2) 0.16(2) Uiso 0.48(3) 1 d PD A 2
H12E H -0.3541 -0.8174 0.1564 0.188 Uiso 0.48(3) 1 calc PR A 2
H12F H -0.4804 -0.8907 0.1457 0.188 Uiso 0.48(3) 1 calc PR A 2
C123 C -0.406(8) -0.886(6) 0.061(3) 0.23(4) Uiso 0.48(3) 1 d PD A 2
H12G H -0.3244 -0.8621 0.0568 0.278 Uiso 0.48(3) 1 calc PR A 2
H12H H -0.4165 -0.9684 0.0615 0.278 Uiso 0.48(3) 1 calc PR A 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'
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'
Br Br -0.2901 2.4595 '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'
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
Br2 Ge1 Ge4 104.76(4) . . ?
Br2 Ge1 Ge6 103.26(5) . . ?
Ge4 Ge1 Ge6 78.89(4) . . ?
Br2 Ge1 Mn2 105.21(5) . . ?
Ge4 Ge1 Mn2 128.79(5) . . ?
Ge6 Ge1 Mn2 131.42(5) . . ?
Br1 Ge2 Ge5 103.52(5) . . ?
Br1 Ge2 Ge3 104.53(5) . . ?
Ge5 Ge2 Ge3 78.56(4) . . ?
Br1 Ge2 Mn1 105.61(5) . . ?
Ge5 Ge2 Mn1 128.50(5) . . ?
Ge3 Ge2 Mn1 131.45(5) . . ?
Ge2 Ge3 Ge6 89.41(4) . . ?
Ge2 Ge3 Mn3 125.65(5) . . ?
Ge6 Ge3 Mn3 130.42(5) . . ?
Ge2 Ge3 Ge4 86.29(4) . . ?
Ge6 Ge3 Ge4 77.72(4) . . ?
Mn3 Ge3 Ge4 131.24(5) . . ?
Ge1 Ge4 Ge5 86.80(4) . . ?
Ge1 Ge4 Ge3 88.53(4) . . ?
Ge5 Ge4 Ge3 77.31(4) . . ?
Ge1 Ge4 Mn4 122.81(5) . . ?
Ge5 Ge4 Mn4 130.31(5) . . ?
Ge3 Ge4 Mn4 134.82(5) . . ?
Ge2 Ge5 Mn5 124.37(5) . . ?
Ge2 Ge5 Ge6 89.23(4) . . ?
Mn5 Ge5 Ge6 134.17(5) . . ?
Ge2 Ge5 Ge4 86.41(4) . . ?
Mn5 Ge5 Ge4 128.67(5) . . ?
Ge6 Ge5 Ge4 77.65(4) . . ?
Ge1 Ge6 Ge3 88.71(4) . . ?
Ge1 Ge6 Mn6 123.09(5) . . ?
Ge3 Ge6 Mn6 131.78(5) . . ?
Ge1 Ge6 Ge5 86.67(4) . . ?
Ge3 Ge6 Ge5 77.64(3) . . ?
Mn6 Ge6 Ge5 132.96(5) . . ?
C1C Mn1 C1A 95.4(5) . . ?
C1C Mn1 C1D 93.6(4) . . ?
C1A Mn1 C1D 91.2(4) . . ?
C1C Mn1 C1E 94.4(4) . . ?
C1A Mn1 C1E 89.8(4) . . ?
C1D Mn1 C1E 171.8(4) . . ?
C1C Mn1 C1B 93.0(5) . . ?
C1A Mn1 C1B 171.6(4) . . ?
C1D Mn1 C1B 88.7(4) . . ?
C1E Mn1 C1B 89.2(5) . . ?
C1C Mn1 Ge2 177.3(3) . . ?
C1A Mn1 Ge2 83.4(3) . . ?
C1D Mn1 Ge2 84.1(3) . . ?
C1E Mn1 Ge2 87.9(3) . . ?
C1B Mn1 Ge2 88.3(3) . . ?
C2A Mn2 C2E 92.7(4) . . ?
C2A Mn2 C2D 95.5(4) . . ?
C2E Mn2 C2D 91.6(4) . . ?
C2A Mn2 C2C 94.9(4) . . ?
C2E Mn2 C2C 88.0(4) . . ?
C2D Mn2 C2C 169.7(4) . . ?
C2A Mn2 C2B 92.1(4) . . ?
C2E Mn2 C2B 174.9(4) . . ?
C2D Mn2 C2B 89.4(4) . . ?
C2C Mn2 C2B 90.1(4) . . ?
C2A Mn2 Ge1 179.0(3) . . ?
C2E Mn2 Ge1 87.3(3) . . ?
C2D Mn2 Ge1 85.5(3) . . ?
C2C Mn2 Ge1 84.2(3) . . ?
C2B Mn2 Ge1 87.9(3) . . ?
C3A Mn3 C3C 93.9(5) . . ?
C3A Mn3 C3E 94.6(4) . . ?
C3C Mn3 C3E 91.1(4) . . ?
C3A Mn3 C3B 95.4(4) . . ?
C3C Mn3 C3B 85.2(4) . . ?
C3E Mn3 C3B 169.6(4) . . ?
C3A Mn3 C3D 94.2(4) . . ?
C3C Mn3 C3D 171.0(5) . . ?
C3E Mn3 C3D 92.2(4) . . ?
C3B Mn3 C3D 90.1(4) . . ?
C3A Mn3 Ge3 176.9(3) . . ?
C3C Mn3 Ge3 88.1(3) . . ?
C3E Mn3 Ge3 83.0(3) . . ?
C3B Mn3 Ge3 87.2(3) . . ?
C3D Mn3 Ge3 84.0(3) . . ?
C4D Mn4 C4A 92.8(4) . . ?
C4D Mn4 C4C 93.6(4) . . ?
C4A Mn4 C4C 173.6(4) . . ?
C4D Mn4 C4B 90.7(4) . . ?
C4A Mn4 C4B 90.7(4) . . ?
C4C Mn4 C4B 89.0(4) . . ?
C4D Mn4 C4E 94.9(4) . . ?
C4A Mn4 C4E 87.7(4) . . ?
C4C Mn4 C4E 92.0(4) . . ?
C4B Mn4 C4E 174.3(4) . . ?
C4D Mn4 Ge4 175.9(3) . . ?
C4A Mn4 Ge4 84.2(3) . . ?
C4C Mn4 Ge4 89.4(3) . . ?
C4B Mn4 Ge4 86.5(3) . . ?
C4E Mn4 Ge4 87.8(3) . . ?
C5A Mn5 C5D 93.4(4) . . ?
C5A Mn5 C5E 93.0(5) . . ?
C5D Mn5 C5E 90.0(4) . . ?
C5A Mn5 C5C 92.8(4) . . ?
C5D Mn5 C5C 88.8(4) . . ?
C5E Mn5 C5C 174.1(4) . . ?
C5A Mn5 C5B 92.3(4) . . ?
C5D Mn5 C5B 174.0(4) . . ?
C5E Mn5 C5B 91.5(4) . . ?
C5C Mn5 C5B 89.1(4) . . ?
C5A Mn5 Ge5 177.8(3) . . ?
C5D Mn5 Ge5 88.5(3) . . ?
C5E Mn5 Ge5 88.1(3) . . ?
C5C Mn5 Ge5 86.1(3) . . ?
C5B Mn5 Ge5 85.7(3) . . ?
C6C Mn6 C6D 95.9(4) . . ?
C6C Mn6 C6B 91.2(4) . . ?
C6D Mn6 C6B 85.1(4) . . ?
C6C Mn6 C6E 91.1(4) . . ?
C6D Mn6 C6E 172.9(4) . . ?
C6B Mn6 C6E 93.6(4) . . ?
C6C Mn6 C6A 96.0(4) . . ?
C6D Mn6 C6A 89.9(4) . . ?
C6B Mn6 C6A 171.6(4) . . ?
C6E Mn6 C6A 90.5(4) . . ?
C6C Mn6 Ge6 172.4(3) . . ?
C6D Mn6 Ge6 91.1(3) . . ?
C6B Mn6 Ge6 86.3(3) . . ?
C6E Mn6 Ge6 81.8(3) . . ?
C6A Mn6 Ge6 87.0(3) . . ?
C103 O100 C100 99.2(13) . . ?
O1A C1A Mn1 179.1(9) . . ?
O1E C1E Mn1 176.5(9) . . ?
O1D C1D Mn1 178.8(8) . . ?
O1C C1C Mn1 178.8(10) . . ?
O1B C1B Mn1 177.5(9) . . ?
O2D C2D Mn2 178.7(9) . . ?
O2C C2C Mn2 177.5(9) . . ?
O2B C2B Mn2 177.4(9) . . ?
O2A C2A Mn2 178.8(9) . . ?
O2E C2E Mn2 178.2(9) . . ?
O3D C3D Mn3 178.6(9) . . ?
O3C C3C Mn3 177.1(8) . . ?
O3B C3B Mn3 175.9(9) . . ?
O3A C3A Mn3 177.3(9) . . ?
O3E C3E Mn3 178.4(9) . . ?
O4B C4B Mn4 177.9(9) . . ?
O4A C4A Mn4 178.2(8) . . ?
O4E C4E Mn4 176.5(9) . . ?
O4D C4D Mn4 177.9(10) . . ?
O4C C4C Mn4 175.7(10) . . ?
O5D C5D Mn5 176.4(8) . . ?
O5C C5C Mn5 176.5(10) . . ?
O5B C5B Mn5 177.2(8) . . ?
O5A C5A Mn5 177.4(10) . . ?
O5E C5E Mn5 174.5(10) . . ?
O6E C6E Mn6 178.5(9) . . ?
O6D C6D Mn6 177.4(9) . . ?
O6C C6C Mn6 178.2(9) . . ?
O6B C6B Mn6 175.0(8) . . ?
O6A C6A Mn6 176.9(8) . . ?
C101 C100 O100 108.7(14) . . ?
C100 C101 C102 111.4(12) . . ?
C101 C102 C103 105.5(12) . . ?
C102 C103 O100 102.3(13) . . ?
C110 O110 C113 95(3) . . ?
O110 C110 C111 102(3) . . ?
C110 C111 C112 100.6(18) . . ?
C113 C112 C111 100.6(17) . . ?
O110 C113 C112 111(3) . . ?
C123 O120 C120 96(4) . . ?
O120 C120 C121 117(3) . . ?
C120 C121 C122 100.9(19) . . ?
C123 C122 C121 100.7(19) . . ?
O120 C123 C122 117(4) . . ?
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
Br1 Ge2 2.3934(14) . ?
Br2 Ge1 2.4037(14) . ?
Ge1 Ge4 2.4862(11) . ?
Ge1 Ge6 2.4944(13) . ?
Ge1 Mn2 2.5365(15) . ?
Ge2 Ge5 2.4929(12) . ?
Ge2 Ge3 2.4937(12) . ?
Ge2 Mn1 2.5362(16) . ?
Ge3 Ge6 2.5138(12) . ?
Ge3 Mn3 2.5286(15) . ?
Ge3 Ge4 2.5296(12) . ?
Ge4 Ge5 2.5246(13) . ?
Ge4 Mn4 2.5374(15) . ?
Ge5 Mn5 2.5214(15) . ?
Ge5 Ge6 2.5225(11) . ?
Ge6 Mn6 2.5215(15) . ?
Mn1 C1C 1.823(11) . ?
Mn1 C1A 1.846(10) . ?
Mn1 C1D 1.849(10) . ?
Mn1 C1E 1.853(11) . ?
Mn1 C1B 1.859(11) . ?
Mn2 C2A 1.834(10) . ?
Mn2 C2E 1.842(10) . ?
Mn2 C2D 1.844(11) . ?
Mn2 C2C 1.854(10) . ?
Mn2 C2B 1.876(11) . ?
Mn3 C3A 1.822(10) . ?
Mn3 C3C 1.835(11) . ?
Mn3 C3E 1.839(11) . ?
Mn3 C3B 1.849(10) . ?
Mn3 C3D 1.874(10) . ?
Mn4 C4D 1.832(11) . ?
Mn4 C4A 1.846(10) . ?
Mn4 C4C 1.849(10) . ?
Mn4 C4B 1.850(10) . ?
Mn4 C4E 1.861(10) . ?
Mn5 C5A 1.841(11) . ?
Mn5 C5D 1.849(10) . ?
Mn5 C5E 1.853(11) . ?
Mn5 C5C 1.868(10) . ?
Mn5 C5B 1.881(12) . ?
Mn6 C6C 1.825(10) . ?
Mn6 C6D 1.853(9) . ?
Mn6 C6B 1.858(11) . ?
Mn6 C6E 1.880(10) . ?
Mn6 C6A 1.885(11) . ?
O1A C1A 1.145(11) . ?
O1D C1D 1.139(11) . ?
O1E C1E 1.136(12) . ?
O1B C1B 1.135(12) . ?
O1C C1C 1.157(13) . ?
O2B C2B 1.120(12) . ?
O2D C2D 1.156(12) . ?
O2C C2C 1.133(11) . ?
O2A C2A 1.135(12) . ?
O2E C2E 1.143(11) . ?
O3A C3A 1.148(12) . ?
O3D C3D 1.114(11) . ?
O3C C3C 1.135(12) . ?
O3B C3B 1.137(12) . ?
O3E C3E 1.154(12) . ?
O4B C4B 1.144(11) . ?
O4A C4A 1.149(11) . ?
O4E C4E 1.132(11) . ?
O4D C4D 1.142(12) . ?
O4C C4C 1.141(12) . ?
O5D C5D 1.141(12) . ?
O5B C5B 1.111(12) . ?
O5C C5C 1.137(11) . ?
O5A C5A 1.140(12) . ?
O5E C5E 1.157(12) . ?
O6E C6E 1.120(11) . ?
O6A C6A 1.118(12) . ?
O6B C6B 1.158(12) . ?
O6D C6D 1.132(11) . ?
O6C C6C 1.144(12) . ?
O100 C103 1.51(2) . ?
O100 C100 1.55(2) . ?
C100 C101 1.32(2) . ?
C101 C102 1.397(18) . ?
C102 C103 1.49(2) . ?
O110 C110 1.47(3) . ?
O110 C113 1.48(3) . ?
C110 C111 1.50(3) . ?
C111 C112 1.52(4) . ?
C112 C113 1.49(4) . ?
O120 C123 1.47(3) . ?
O120 C120 1.48(3) . ?
C120 C121 1.50(3) . ?
C121 C122 1.51(5) . ?
C122 C123 1.50(4) . ?
