# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_BW514
_database_code_depnum_ccdc_archive 'CCDC 2081217'
loop_
_audit_author_name
_audit_author_address
'Wilhelm Klein'
;Technische Universitaet Muenchen
Germany
;
_audit_update_record             
;
2021-04-30 deposited with the CCDC.	2021-09-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_formula_moiety         '2(C18 H36 K N2 O6), 4(K), 15(H3 N), Co2 Ge17'
_chemical_formula_sum            'C36 H117 Co2 Ge17 K6 N19 O12'
_chemical_formula_weight         2594.97

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'
Co Co 0.3494 0.9721 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.6865(6)
_cell_length_b                   32.1696(10)
_cell_length_c                   15.3982(4)
_cell_angle_alpha                90
_cell_angle_beta                 110.634(2)
_cell_angle_gamma                90.000(2)
_cell_volume                     9126.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    28227
_cell_measurement_theta_min      1.30
_cell_measurement_theta_max      26.28

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.889
_exptl_crystal_F_000             5096
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    6.181
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.481
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'STOE X-AREA 1.76'

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 5.81
_diffrn_reflns_number            277912
_diffrn_reflns_av_unetI/netI     0.0555
_diffrn_reflns_av_R_equivalents  0.1763
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.722
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             17914
_reflns_number_gt                13812
_reflns_threshold_expression     'I > 2σ(I)'

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
;

_computing_data_collection       'STOE X-AREA 1.76'
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_reduction        'STOE X-AREA 1.76'
_computing_structure_solution    SHELXS-97
_computing_structure_refinement  SHELXL-2014/7
_computing_molecular_graphics    'DIAMOND 3.2k'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0484P)²+34.3816P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.00029(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         17914
_refine_ls_number_parameters     834
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0472
_refine_ls_wR_factor_ref         0.1142
_refine_ls_wR_factor_gt          0.1053
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.028
_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_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
Ge1 Ge 0.23319(3) 0.35508(2) 0.21080(4) 0.02394(14) Uani 1 1 d . . . . .
Ge2 Ge 0.26085(3) 0.43397(2) 0.25608(4) 0.02232(14) Uani 1 1 d . . . . .
Ge3 Ge 0.23084(3) 0.41524(2) 0.07762(4) 0.02504(15) Uani 1 1 d . . . . .
Ge4 Ge 0.28727(4) 0.33861(2) 0.08129(4) 0.02565(15) Uani 1 1 d . . . . .
Ge5 Ge 0.37930(3) 0.32129(2) 0.25630(4) 0.02260(14) Uani 1 1 d . . . . .
Ge6 Ge 0.36089(3) 0.37947(2) 0.36407(4) 0.02227(14) Uani 1 1 d . . . . .
Ge7 Ge 0.34839(4) 0.46344(2) 0.17119(5) 0.02501(15) Uani 1 1 d . . . . .
Ge8 Ge 0.36633(4) 0.40367(2) 0.06508(5) 0.02885(16) Uani 1 1 d . . . . .
Ge9 Ge 0.45771(3) 0.39959(2) 0.26542(4) 0.02383(15) Uani 1 1 d . . . . .
Ge10 Ge 0.55172(4) 0.46880(2) 0.35928(5) 0.02638(15) Uani 1 1 d . . . . .
Ge11 Ge 0.52577(4) 0.41127(2) 0.46688(4) 0.02376(14) Uani 1 1 d . . . . .
Ge12 Ge 0.54621(4) 0.32393(2) 0.30933(4) 0.02396(15) Uani 1 1 d . . . . .
Ge13 Ge 0.57227(4) 0.37669(2) 0.19648(4) 0.02628(15) Uani 1 1 d . . . . .
Ge14 Ge 0.65539(3) 0.44034(2) 0.29697(5) 0.02587(15) Uani 1 1 d . . . . .
Ge15 Ge 0.67483(3) 0.42715(2) 0.47445(5) 0.02589(15) Uani 1 1 d . . . . .
Ge16 Ge 0.69002(3) 0.36369(2) 0.36260(5) 0.02533(15) Uani 1 1 d . . . . .
Ge17 Ge 0.62025(4) 0.35010(2) 0.48085(4) 0.02522(15) Uani 1 1 d . . . . .
Co1 Co 0.34006(4) 0.39042(2) 0.20293(5) 0.01513(16) Uani 1 1 d . . . . .
Co2 Co 0.57443(4) 0.39634(2) 0.34733(5) 0.01604(16) Uani 1 1 d . . . . .
K1 K 0.39431(8) 0.49235(5) 0.41076(11) 0.0356(3) Uani 1 1 d . . . . .
K2 K 0.44599(10) 0.30594(6) 0.04695(14) 0.0524(5) Uani 1 1 d . . . . .
K3 K 0.50295(10) 0.47932(8) 0.10686(15) 0.0633(6) Uani 1 1 d . . . . .
K4 K 0.46005(10) 0.29907(6) 0.49350(12) 0.0509(5) Uani 1 1 d . . . . .
K5 K 0.09015(7) 0.12700(4) 0.10873(8) 0.0214(3) Uani 1 1 d . . . . .
N1 N 0.0652(3) 0.11138(17) 0.2869(3) 0.0280(12) Uani 1 1 d . . . . .
N2 N 0.1143(3) 0.14451(19) -0.0687(4) 0.0330(13) Uani 1 1 d . . . . .
O1 O 0.1502(2) 0.05320(14) 0.2184(3) 0.0278(10) Uani 1 1 d . . . . .
O2 O 0.1931(3) 0.07680(15) 0.0670(3) 0.0330(11) Uani 1 1 d . . . . .
O3 O 0.1386(3) 0.20832(15) 0.0755(3) 0.0348(11) Uani 1 1 d . . . . .
O4 O 0.1354(3) 0.18849(14) 0.2525(3) 0.0344(11) Uani 1 1 d . . . . .
O5 O -0.0553(2) 0.11390(15) 0.1020(3) 0.0302(10) Uani 1 1 d . . . . .
O6 O -0.0271(2) 0.11599(15) -0.0659(3) 0.0299(10) Uani 1 1 d . . . . .
C1 C 0.0906(4) 0.0692(2) 0.3241(5) 0.0337(16) Uani 1 1 d . . . . .
H1A H 0.0533 0.0486 0.2905 0.040 Uiso 1 1 calc R U . . .
H1B H 0.0958 0.0682 0.3904 0.040 Uiso 1 1 calc R U . . .
C2 C 0.1619(4) 0.0573(2) 0.3150(4) 0.0282(14) Uani 1 1 d . . . . .
H2A H 0.1988 0.0790 0.3431 0.034 Uiso 1 1 calc R U . . .
H2B H 0.1795 0.0307 0.3475 0.034 Uiso 1 1 calc R U . . .
C3 C 0.2134(4) 0.0373(2) 0.2048(5) 0.0333(15) Uani 1 1 d . . . . .
H3A H 0.2248 0.0092 0.2324 0.040 Uiso 1 1 calc R U . . .
H3B H 0.2554 0.0557 0.2356 0.040 Uiso 1 1 calc R U . . .
C4 C 0.1997(4) 0.0353(2) 0.1028(5) 0.0371(16) Uani 1 1 d . . . . .
H4A H 0.2403 0.0208 0.0918 0.045 Uiso 1 1 calc R U . . .
H4B H 0.1545 0.0196 0.0709 0.045 Uiso 1 1 calc R U . . .
C5 C 0.1816(5) 0.0769(3) -0.0298(5) 0.048(2) Uani 1 1 d . . . . .
H5A H 0.1348 0.0632 -0.0645 0.058 Uiso 1 1 calc R U . . .
H5B H 0.2208 0.0611 -0.0412 0.058 Uiso 1 1 calc R U . . .
C6 C 0.1807(5) 0.1208(3) -0.0636(6) 0.051(2) Uani 1 1 d . . . . .
H6A H 0.2238 0.1356 -0.0215 0.062 Uiso 1 1 calc R U . . .
H6B H 0.1845 0.1202 -0.1260 0.062 Uiso 1 1 calc R U . . .
C7 C 0.1269(4) 0.1891(3) -0.0784(5) 0.0428(19) Uani 1 1 d . . . . .
H7A H 0.0793 0.2034 -0.1015 0.051 Uiso 1 1 calc R U . . .
H7B H 0.1498 0.1925 -0.1258 0.051 Uiso 1 1 calc R U . . .
C8 C 0.1736(4) 0.2099(3) 0.0090(6) 0.0444(19) Uani 1 1 d . . . . .
H8A H 0.2211 0.1956 0.0338 0.053 Uiso 1 1 calc R U . . .
H8B H 0.1821 0.2392 -0.0039 0.053 Uiso 1 1 calc R U . . .
C9 C 0.1791(5) 0.2313(2) 0.1579(6) 0.046(2) Uani 1 1 d . . . . .
H9A H 0.1858 0.2603 0.1416 0.055 Uiso 1 1 calc R U . . .
H9B H 0.2275 0.2186 0.1879 0.055 Uiso 1 1 calc R U . . .
C10 C 0.1382(5) 0.2303(2) 0.2221(6) 0.048(2) Uani 1 1 d . . . . .
H10A H 0.1624 0.2484 0.2762 0.058 Uiso 1 1 calc R U . . .
H10B H 0.0884 0.2409 0.1902 0.058 Uiso 1 1 calc R U . . .
C11 C 0.1006(5) 0.1862(2) 0.3195(5) 0.0444(19) Uani 1 1 d . . . . .
H11A H 0.0489 0.1940 0.2903 0.053 Uiso 1 1 calc R U . . .
H11B H 0.1240 0.2058 0.3708 0.053 Uiso 1 1 calc R U . . .
C12 C 0.1064(4) 0.1429(2) 0.3566(4) 0.0389(18) Uani 1 1 d . . . . .
H12A H 0.1582 0.1348 0.3813 0.047 Uiso 1 1 calc R U . . .
H12B H 0.0883 0.1426 0.4090 0.047 Uiso 1 1 calc R U . . .
C13 C -0.0128(4) 0.1152(3) 0.2687(5) 0.0409(19) Uani 1 1 d . . . . .
H13A H -0.0260 0.1450 0.2630 0.049 Uiso 1 1 calc R U . . .
H13B H -0.0234 0.1039 0.3223 0.049 Uiso 1 1 calc R U . . .
C14 C -0.0592(4) 0.0931(3) 0.1822(5) 0.0397(17) Uani 1 1 d . . . . .
H14A H -0.0423 0.0640 0.1833 0.048 Uiso 1 1 calc R U . . .
H14B H -0.1102 0.0924 0.1796 0.048 Uiso 1 1 calc R U . . .
C15 C -0.1010(4) 0.0939(2) 0.0188(5) 0.0366(16) Uani 1 1 d . . . . .
H15A H -0.1514 0.0923 0.0181 0.044 Uiso 1 1 calc R U . . .
H15B H -0.0836 0.0652 0.0156 0.044 Uiso 1 1 calc R U . . .
C16 C -0.0988(4) 0.1186(2) -0.0622(5) 0.0353(16) Uani 1 1 d . . . . .
H16A H -0.1347 0.1076 -0.1202 0.042 Uiso 1 1 calc R U . . .
H16B H -0.1111 0.1480 -0.0554 0.042 Uiso 1 1 calc R U . . .
C17 C -0.0196(4) 0.1403(2) -0.1392(4) 0.0349(16) Uani 1 1 d . . . . .
H17A H -0.0218 0.1702 -0.1256 0.042 Uiso 1 1 calc R U . . .
H17B H -0.0597 0.1339 -0.1980 0.042 Uiso 1 1 calc R U . . .
C18 C 0.0517(4) 0.1304(3) -0.1487(4) 0.0388(17) Uani 1 1 d . . . . .
H18A H 0.0552 0.1000 -0.1557 0.047 Uiso 1 1 calc R U . . .
H18B H 0.0536 0.1437 -0.2057 0.047 Uiso 1 1 calc R U . . .
K6 K 0.84437(7) 0.14359(4) 0.48074(9) 0.0209(3) Uani 1 1 d . . . . .
N3 N 0.9131(3) 0.06109(16) 0.5532(4) 0.0254(11) Uani 1 1 d . . . . .
N4 N 0.7761(3) 0.22582(16) 0.4085(3) 0.0233(11) Uani 1 1 d . . . . .
O7 O 0.7991(3) 0.07161(14) 0.3724(3) 0.0305(10) Uani 1 1 d . . . . .
O8 O 0.7567(2) 0.15108(14) 0.2915(3) 0.0305(10) Uani 1 1 d . . . . .
O9 O 0.7461(2) 0.17947(13) 0.5543(3) 0.0262(9) Uani 1 1 d . . . . .
O10 O 0.8328(2) 0.11030(14) 0.6463(3) 0.0264(9) Uani 1 1 d . . . . .
O11 O 0.9953(2) 0.13415(14) 0.5291(3) 0.0264(9) Uani 1 1 d . . . . .
O12 O 0.9343(2) 0.21558(13) 0.4972(3) 0.0251(9) Uani 1 1 d . . . . .
C19 C 0.8693(4) 0.0272(2) 0.4943(5) 0.0321(15) Uani 1 1 d . . . . .
H19A H 0.8259 0.0224 0.5113 0.039 Uiso 1 1 calc R U . . .
H19B H 0.8983 0.0013 0.5076 0.039 Uiso 1 1 calc R U . . .
C20 C 0.8452(4) 0.0361(2) 0.3922(5) 0.0346(16) Uani 1 1 d . . . . .
H20A H 0.8879 0.0414 0.3741 0.041 Uiso 1 1 calc R U . . .
H20B H 0.8187 0.0119 0.3565 0.041 Uiso 1 1 calc R U . . .
C21 C 0.7647(4) 0.0776(2) 0.2751(4) 0.0357(16) Uani 1 1 d . . . . .
H21A H 0.7367 0.0524 0.2468 0.043 Uiso 1 1 calc R U . . .
H21B H 0.8019 0.0822 0.2465 0.043 Uiso 1 1 calc R U . . .
C22 C 0.7153(4) 0.1141(2) 0.2572(5) 0.0368(16) Uani 1 1 d . . . . .
H22A H 0.6884 0.1168 0.1897 0.044 Uiso 1 1 calc R U . . .
H22B H 0.6796 0.1101 0.2883 0.044 Uiso 1 1 calc R U . . .
C23 C 0.7107(4) 0.1869(2) 0.2630(5) 0.0397(17) Uani 1 1 d . . . . .
H23A H 0.6680 0.1838 0.2824 0.048 Uiso 1 1 calc R U . . .
H23B H 0.6930 0.1894 0.1946 0.048 Uiso 1 1 calc R U . . .
C24 C 0.7524(4) 0.2256(2) 0.3065(4) 0.0338(15) Uani 1 1 d . . . . .
H24A H 0.7957 0.2280 0.2881 0.041 Uiso 1 1 calc R U . . .
H24B H 0.7215 0.2503 0.2820 0.041 Uiso 1 1 calc R U . . .
C25 C 0.7133(4) 0.2328(2) 0.4385(5) 0.0311(15) Uani 1 1 d . . . . .
H25A H 0.6721 0.2156 0.3996 0.037 Uiso 1 1 calc R U . . .
H25B H 0.6985 0.2623 0.4276 0.037 Uiso 1 1 calc R U . . .
C26 C 0.7280(4) 0.2228(2) 0.5385(5) 0.0327(15) Uani 1 1 d . . . . .
H26A H 0.7687 0.2400 0.5785 0.039 Uiso 1 1 calc R U . . .
H26B H 0.6845 0.2290 0.5543 0.039 Uiso 1 1 calc R U . . .
C27 C 0.7547(4) 0.1674(2) 0.6465(5) 0.0312(15) Uani 1 1 d . . . . .
H27A H 0.7110 0.1755 0.6603 0.037 Uiso 1 1 calc R U . . .
H27B H 0.7970 0.1821 0.6909 0.037 Uiso 1 1 calc R U . . .
C28 C 0.7658(4) 0.1216(2) 0.6580(5) 0.0320(15) Uani 1 1 d . . . . .
H28A H 0.7673 0.1133 0.7205 0.038 Uiso 1 1 calc R U . . .
H28B H 0.7248 0.1070 0.6114 0.038 Uiso 1 1 calc R U . . .
C29 C 0.8460(4) 0.0673(2) 0.6630(5) 0.0310(14) Uani 1 1 d . . . . .
H29A H 0.8053 0.0511 0.6199 0.037 Uiso 1 1 calc R U . . .
H29B H 0.8499 0.0605 0.7273 0.037 Uiso 1 1 calc R U . . .
C30 C 0.9164(4) 0.0559(2) 0.6486(4) 0.0290(14) Uani 1 1 d . . . . .
H30A H 0.9561 0.0734 0.6897 0.035 Uiso 1 1 calc R U . . .
H30B H 0.9284 0.0266 0.6672 0.035 Uiso 1 1 calc R U . . .
C31 C 0.9869(4) 0.0604(2) 0.5493(5) 0.0303(14) Uani 1 1 d . . . . .
H31A H 0.9831 0.0558 0.4842 0.036 Uiso 1 1 calc R U . . .
H31B H 1.0137 0.0366 0.5864 0.036 Uiso 1 1 calc R U . . .
C32 C 1.0299(4) 0.0995(2) 0.5845(5) 0.0303(14) Uani 1 1 d . . . . .
H32A H 1.0343 0.1044 0.6498 0.036 Uiso 1 1 calc R U . . .
H32B H 1.0794 0.0962 0.5827 0.036 Uiso 1 1 calc R U . . .
C33 C 1.0371(3) 0.1716(2) 0.5592(4) 0.0257(13) Uani 1 1 d . . . . .
H33A H 1.0877 0.1668 0.5625 0.031 Uiso 1 1 calc R U . . .
H33B H 1.0382 0.1794 0.6219 0.031 Uiso 1 1 calc R U . . .
C34 C 1.0040(3) 0.2055(2) 0.4929(5) 0.0271(13) Uani 1 1 d . . . . .
H34A H 1.0358 0.2303 0.5087 0.033 Uiso 1 1 calc R U . . .
H34B H 0.9985 0.1967 0.4292 0.033 Uiso 1 1 calc R U . . .
C35 C 0.9030(4) 0.2506(2) 0.4413(5) 0.0352(16) Uani 1 1 d . . . . .
H35A H 0.8985 0.2450 0.3762 0.042 Uiso 1 1 calc R U . . .
H35B H 0.9350 0.2750 0.4633 0.042 Uiso 1 1 calc R U . . .
C36 C 0.8287(4) 0.2597(2) 0.4458(5) 0.0292(14) Uani 1 1 d . . . . .
H36A H 0.8339 0.2648 0.5112 0.035 Uiso 1 1 calc R U . . .
H36B H 0.8095 0.2855 0.4103 0.035 Uiso 1 1 calc R U . . .
N5 N 0.3277(4) 0.2446(3) 0.4172(7) 0.082(3) Uani 1 1 d . . . . .
H5C H 0.2955 0.2405 0.4467 0.123 Uiso 1 1 d R U . . .
H5D H 0.3247 0.2232 0.3774 0.123 Uiso 1 1 d R U . . .
H5E H 0.3173 0.2689 0.3850 0.123 Uiso 1 1 d R U . . .
N6 N 0.4936(5) 0.2194(3) 0.3939(6) 0.069(2) Uani 1 1 d . . . . .
H6C H 0.5239 0.1998 0.3854 0.104 Uiso 1 1 calc R U . . .
H6D H 0.5173 0.2442 0.4079 0.104 Uiso 1 1 calc R U . . .
H6E H 0.4542 0.2221 0.3409 0.104 Uiso 1 1 calc R U . . .
N7 N 0.5627(4) 0.2509(2) 0.6365(5) 0.058(2) Uani 1 1 d . . . . .
H7C H 0.5942 0.2585 0.6080 0.087 Uiso 1 1 d R U . . .
H7D H 0.5755 0.2254 0.6631 0.087 Uiso 1 1 d R U . . .
H7E H 0.5642 0.2698 0.6809 0.087 Uiso 1 1 d R U . . .
N8 N 0.3838(7) 0.2815(4) 0.6344(9) 0.127(5) Uani 1 1 d . . . . .
H8C H 0.3702 0.3059 0.6532 0.190 Uiso 1 1 calc R U . . .
H8D H 0.4149 0.2678 0.6845 0.190 Uiso 1 1 calc R U . . .
H8E H 0.3438 0.2655 0.6071 0.190 Uiso 1 1 calc R U . . .
N9 N 0.5130(5) 0.3472(3) 0.6752(7) 0.079(3) Uani 1 1 d . . . . .
H9C H 0.5324 0.3293 0.7232 0.118 Uiso 1 1 calc R U . . .
H9D H 0.4751 0.3610 0.6827 0.118 Uiso 1 1 calc R U . . .
H9E H 0.5475 0.3659 0.6740 0.118 Uiso 1 1 calc R U . . .
N10 N 0.6245(4) 0.4776(3) 0.0334(6) 0.057(2) Uani 1 1 d . . . . .
H10C H 0.6516 0.4995 0.0274 0.086 Uiso 1 1 d R U . . .
H10D H 0.6255 0.4572 -0.0072 0.086 Uiso 1 1 d R U . . .
H10E H 0.6429 0.4675 0.0923 0.086 Uiso 1 1 d R U . . .
N11 N 0.5626(5) 0.5598(4) 0.1276(7) 0.092(3) Uani 1 1 d . . . . .
H11C H 0.5274 0.5788 0.1238 0.138 Uiso 1 1 calc R U . . .
H11D H 0.5808 0.5647 0.0819 0.138 Uiso 1 1 calc R U . . .
H11E H 0.5988 0.5620 0.1839 0.138 Uiso 1 1 calc R U . . .
N12 N 0.3123(8) 0.1530(3) 0.3167(10) 0.118(5) Uani 1 1 d . . . . .
H12C H 0.3282 0.1329 0.3608 0.178 Uiso 1 1 d R U . . .
H12D H 0.3394 0.1526 0.2795 0.178 Uiso 1 1 d R U . . .
H12E H 0.2649 0.1482 0.2818 0.178 Uiso 1 1 d R U . . .
N13 N 0.3742(5) 0.0888(3) 0.1190(6) 0.073(2) Uani 1 1 d . . . . .
H13C H 0.3893 0.0634 0.1445 0.110 Uiso 1 1 d R U . . .
H13D H 0.3546 0.0864 0.0562 0.110 Uiso 1 1 d R U . . .
H13E H 0.3401 0.0989 0.1409 0.110 Uiso 1 1 d R U . . .
N14 N 0.5602(6) 0.0626(3) 0.2750(9) 0.095(3) Uani 1 1 d . . . . .
H14C H 0.5355 0.0485 0.3057 0.142 Uiso 1 1 d R U . . .
H14D H 0.6046 0.0508 0.2872 0.142 Uiso 1 1 d R U . . .
H14E H 0.5349 0.0617 0.2129 0.142 Uiso 1 1 d R U . . .
N15 N 0.5886(5) 0.1352(3) 0.4396(7) 0.080(3) Uani 1 1 d . . . . .
H15C H 0.5764 0.1199 0.4816 0.119 Uiso 1 1 d R U . . .
H15D H 0.6366 0.1418 0.4636 0.119 Uiso 1 1 d R U . . .
H15E H 0.5796 0.1202 0.3866 0.119 Uiso 1 1 d R U . . .
N16 N 0.8240(3) 0.17896(18) 0.1347(4) 0.0361(13) Uani 1 1 d . . . . .
H16C H 0.8432 0.2036 0.1613 0.054 Uiso 1 1 d R U . . .
H16D H 0.8587 0.1638 0.1228 0.054 Uiso 1 1 d R U . . .
H16E H 0.8074 0.1646 0.1741 0.054 Uiso 1 1 d R U . . .
N17 N 0.9349(4) 0.2611(3) 0.2102(5) 0.064(2) Uani 1 1 d . . . . .
H17C H 0.9276 0.2598 0.1485 0.095 Uiso 1 1 d R U . . .
H17D H 0.9819 0.2546 0.2435 0.095 Uiso 1 1 d R U . . .
H17E H 0.9251 0.2872 0.2250 0.095 Uiso 1 1 d R U . . .
N18 N 0.1017(7) 0.0076(4) 0.7818(9) 0.108(4) Uani 1 1 d . U . . .
H18C H 0.1446 -0.0022 0.8220 0.162 Uiso 1 1 d R U . . .
H18D H 0.1086 0.0331 0.7608 0.162 Uiso 1 1 d R U . . .
H18E H 0.0843 -0.0102 0.7330 0.162 Uiso 1 1 d R U . . .
N19 N 0.9874(4) 0.0141(2) 0.8942(5) 0.0441(15) Uani 1 1 d . . . . .
H19C H 1.0198 0.0109 0.8649 0.066 Uiso 1 1 d R U . . .
H19D H 0.9794 0.0417 0.8996 0.066 Uiso 1 1 d R U . . .
H19E H 0.9448 0.0015 0.8607 0.066 Uiso 1 1 d R U . . .


_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
Ge1 Co1 2.4317(9) . ?
Ge1 Ge4 2.6244(9) . ?
Ge1 Ge2 2.6374(9) . ?
Ge1 Ge3 2.8083(9) . ?
Ge1 Ge6 2.8851(9) . ?
Ge1 Ge5 2.9199(9) . ?
Ge2 Co1 2.4421(9) . ?
Ge2 Ge3 2.6682(9) . ?
Ge2 Ge7 2.6768(9) . ?
Ge2 Ge6 2.7221(9) . ?
Ge2 K1 3.4196(16) . ?
Ge3 Co1 2.4618(9) . ?
Ge3 Ge4 2.6963(10) . ?
Ge3 Ge7 2.7359(9) . ?
Ge3 Ge8 2.7664(10) . ?
Ge4 Co1 2.4484(9) . ?
Ge4 Ge8 2.6719(10) . ?
Ge4 Ge5 2.7229(9) . ?
Ge4 K2 3.5089(19) . ?
Ge5 Co1 2.4021(10) . ?
Ge5 Ge6 2.6099(9) . ?
Ge5 Ge9 2.9316(9) . ?
Ge5 K4 3.5051(18) . ?
Ge5 K2 3.917(2) . ?
Ge6 Co1 2.3940(9) . ?
Ge6 Ge9 2.8983(9) . ?
Ge6 K4 3.4248(18) . ?
Ge6 K1 3.7154(17) . ?
Ge7 Co1 2.4167(10) . ?
Ge7 Ge8 2.6264(9) . ?
Ge7 K3 3.5533(19) . ?
Ge7 K1 3.5972(16) . ?
Ge8 Co1 2.3934(9) . ?
Ge8 K3 3.514(2) . ?
Ge8 K2 3.5681(19) . ?
Ge9 Co1 2.1924(9) . ?
Ge9 Co2 2.1998(9) . ?
Ge9 Ge13 2.9056(9) . ?
Ge9 Ge10 2.9301(9) . ?
Ge9 Ge12 2.9303(9) . ?
Ge9 Ge11 2.9376(9) . ?
Ge9 K3 3.8557(18) . ?
Ge10 Co2 2.3927(10) . ?
Ge10 Ge11 2.6510(9) . ?
Ge10 Ge14 2.7027(9) . ?
Ge10 Ge15 2.7903(9) . ?
Ge10 K1 3.5406(17) . ?
Ge10 K1 3.5465(16) 3_666 ?
Ge10 K3 3.676(2) . ?
Ge11 Co2 2.4041(9) . ?
Ge11 Ge17 2.6637(9) . ?
Ge11 K1 3.5599(16) . ?
Ge11 K1 3.6809(16) 3_666 ?
Ge11 K4 3.9040(19) . ?
Ge12 Co2 2.4184(10) . ?
Ge12 Ge13 2.6061(9) . ?
Ge12 Ge17 2.6638(9) . ?
Ge12 K2 3.864(2) . ?
Ge12 K4 3.866(2) . ?
Ge13 Co2 2.3932(9) . ?
Ge13 Ge14 2.7351(10) . ?
Ge13 Ge16 2.8129(9) . ?
Ge13 K2 3.5535(19) . ?
Ge13 K3 3.652(2) . ?
Ge14 Co2 2.4528(10) . ?
Ge14 Ge15 2.6567(10) . ?
Ge14 Ge16 2.6609(10) . ?
Ge14 K3 3.5995(19) . ?
Ge15 Co2 2.4481(9) . ?
Ge15 Ge17 2.7170(10) . ?
Ge15 Ge16 2.7542(9) . ?
Ge15 K1 3.6578(16) 3_666 ?
Ge16 Co2 2.4412(9) . ?
Ge16 Ge17 2.6751(9) . ?
Ge17 Co2 2.4385(10) . ?
Ge17 K4 3.621(2) . ?
K1 Ge10 3.5464(16) 3_666 ?
K1 Ge15 3.6578(16) 3_666 ?
K1 Ge11 3.6810(16) 3_666 ?
K1 K1 4.129(3) 3_666 ?
K2 N7 2.878(8) 4_565 ?
K2 N6 2.942(8) 4_565 ?
K2 N5 2.961(8) 4_565 ?
K2 K4 3.511(3) 4_565 ?
K3 N11 2.815(10) . ?
K3 N10 2.986(8) . ?
K3 N10 3.010(7) 3_665 ?
K3 K3 3.513(4) 3_665 ?
K3 H10E 2.8660 . ?
K4 N7 2.863(7) . ?
K4 N5 3.014(9) . ?
K4 N9 3.043(11) . ?
K4 N8 3.095(14) . ?
K4 K2 3.511(3) 4_566 ?
K4 H5E 2.8855 . ?
K4 H7C 2.9158 . ?
K4 H7E 3.0403 . ?
K5 O2 2.836(5) . ?
K5 O5 2.859(5) . ?
K5 O4 2.867(5) . ?
K5 O6 2.882(4) . ?
K5 O3 2.892(5) . ?
K5 O1 2.912(5) . ?
K5 N2 2.987(5) . ?
K5 N1 2.994(5) . ?
N1 C13 1.467(9) . ?
N1 C1 1.488(8) . ?
N1 C12 1.492(9) . ?
N2 C7 1.472(10) . ?
N2 C18 1.473(10) . ?
N2 C6 1.492(9) . ?
O1 C3 1.428(8) . ?
O1 C2 1.428(8) . ?
O2 C5 1.428(8) . ?
O2 C4 1.433(8) . ?
O3 C8 1.420(9) . ?
O3 C9 1.441(9) . ?
O4 C11 1.426(9) . ?
O4 C10 1.433(9) . ?
O5 C14 1.432(8) . ?
O5 C15 1.433(8) . ?
O6 C17 1.423(8) . ?
O6 C16 1.436(8) . ?
C1 C2 1.509(10) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.498(10) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.503(13) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.494(12) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.477(13) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.494(11) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.503(12) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.492(11) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.495(10) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
K6 O7 2.809(4) . ?
K6 O9 2.812(4) . ?
K6 O11 2.813(4) . ?
K6 O8 2.825(4) . ?
K6 O10 2.848(4) . ?
K6 O12 2.871(4) . ?
K6 N4 2.998(5) . ?
K6 N3 3.009(6) . ?
N3 C30 1.457(8) . ?
N3 C31 1.474(8) . ?
N3 C19 1.485(8) . ?
N4 C24 1.473(8) . ?
N4 C36 1.475(8) . ?
N4 C25 1.481(8) . ?
O7 C21 1.423(8) . ?
O7 C20 1.424(9) . ?
O8 C22 1.434(8) . ?
O8 C23 1.437(9) . ?
O9 C27 1.423(8) . ?
O9 C26 1.437(8) . ?
O10 C29 1.415(8) . ?
O10 C28 1.440(8) . ?
O11 C32 1.424(8) . ?
O11 C33 1.440(7) . ?
O12 C35 1.419(8) . ?
O12 C34 1.435(7) . ?
C19 C20 1.501(10) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.487(11) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.511(10) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.498(10) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.491(10) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.523(9) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.507(10) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.481(9) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.518(10) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
N5 K2 2.961(8) 4_566 ?
N5 H5C 0.9100 . ?
N5 H5D 0.9100 . ?
N5 H5E 0.9100 . ?
N6 K2 2.942(8) 4_566 ?
N6 H6C 0.9100 . ?
N6 H6D 0.9100 . ?
N6 H6E 0.9100 . ?
N7 K2 2.878(8) 4_566 ?
N7 H7C 0.9100 . ?
N7 H7D 0.9100 . ?
N7 H7E 0.9100 . ?
N8 H8C 0.9100 . ?
N8 H8D 0.9100 . ?
N8 H8E 0.9100 . ?
N9 H9C 0.9100 . ?
N9 H9D 0.9100 . ?
N9 H9E 0.9100 . ?
N10 K3 3.010(7) 3_665 ?
N10 H10C 0.9100 . ?
N10 H10D 0.9100 . ?
N10 H10E 0.9100 . ?
N11 H11C 0.9100 . ?
N11 H11D 0.9100 . ?
N11 H11E 0.9100 . ?
N12 H12C 0.9100 . ?
N12 H12D 0.9100 . ?
N12 H12E 0.9100 . ?
N13 H13C 0.9100 . ?
N13 H13D 0.9100 . ?
N13 H13E 0.9100 . ?
N14 H14C 0.9100 . ?
N14 H14D 0.9100 . ?
N14 H14E 0.9100 . ?
N15 H15C 0.9100 . ?
N15 H15D 0.9100 . ?
N15 H15E 0.9100 . ?
N16 H16C 0.9100 . ?
N16 H16D 0.9101 . ?
N16 H16E 0.9100 . ?
N17 H17C 0.9100 . ?
N17 H17D 0.9100 . ?
N17 H17E 0.9100 . ?
N18 H18C 0.9100 . ?
N18 H18D 0.9100 . ?
N18 H18E 0.9100 . ?
N19 H19C 0.9100 . ?
N19 H19D 0.9100 . ?
N19 H19E 0.9100 . ?

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
Co1 Ge1 Ge4 57.78(3) . . ?
Co1 Ge1 Ge2 57.43(3) . . ?
Ge4 Ge1 Ge2 107.09(3) . . ?
Co1 Ge1 Ge3 55.48(2) . . ?
Ge4 Ge1 Ge3 59.40(2) . . ?
Ge2 Ge1 Ge3 58.58(2) . . ?
Co1 Ge1 Ge6 52.69(2) . . ?
Ge4 Ge1 Ge6 101.93(3) . . ?
Ge2 Ge1 Ge6 58.86(2) . . ?
Ge3 Ge1 Ge6 101.26(3) . . ?
Co1 Ge1 Ge5 52.38(2) . . ?
Ge4 Ge1 Ge5 58.54(2) . . ?
Ge2 Ge1 Ge5 101.58(3) . . ?
Ge3 Ge1 Ge5 101.13(3) . . ?
Ge6 Ge1 Ge5 53.43(2) . . ?
Co1 Ge2 Ge1 57.05(3) . . ?
Co1 Ge2 Ge3 57.39(2) . . ?
Ge1 Ge2 Ge3 63.91(3) . . ?
Co1 Ge2 Ge7 56.12(3) . . ?
Ge1 Ge2 Ge7 108.67(3) . . ?
Ge3 Ge2 Ge7 61.58(2) . . ?
Co1 Ge2 Ge6 54.91(2) . . ?
Ge1 Ge2 Ge6 65.12(2) . . ?
Ge3 Ge2 Ge6 109.49(3) . . ?
Ge7 Ge2 Ge6 94.28(3) . . ?
Co1 Ge2 K1 97.11(4) . . ?
Ge1 Ge2 K1 138.51(4) . . ?
Ge3 Ge2 K1 132.71(4) . . ?
Ge7 Ge2 K1 71.14(4) . . ?
Ge6 Ge2 K1 73.46(3) . . ?
Co1 Ge3 Ge2 56.68(2) . . ?
Co1 Ge3 Ge4 56.46(3) . . ?
Ge2 Ge3 Ge4 104.17(3) . . ?
Co1 Ge3 Ge7 55.11(3) . . ?
Ge2 Ge3 Ge7 59.37(2) . . ?
Ge4 Ge3 Ge7 103.97(3) . . ?
Co1 Ge3 Ge8 54.11(3) . . ?
Ge2 Ge3 Ge8 103.49(3) . . ?
Ge4 Ge3 Ge8 58.55(2) . . ?
Ge7 Ge3 Ge8 57.02(2) . . ?
Co1 Ge3 Ge1 54.48(2) . . ?
Ge2 Ge3 Ge1 57.51(2) . . ?
Ge4 Ge3 Ge1 56.90(2) . . ?
Ge7 Ge3 Ge1 102.29(3) . . ?
Ge8 Ge3 Ge1 100.96(3) . . ?
Co1 Ge4 Ge1 57.16(3) . . ?
Co1 Ge4 Ge8 55.53(3) . . ?
Ge1 Ge4 Ge8 108.57(3) . . ?
Co1 Ge4 Ge3 56.93(3) . . ?
Ge1 Ge4 Ge3 63.70(3) . . ?
Ge8 Ge4 Ge3 62.04(3) . . ?
Co1 Ge4 Ge5 55.05(3) . . ?
Ge1 Ge4 Ge5 66.16(3) . . ?
Ge8 Ge4 Ge5 92.66(3) . . ?
Ge3 Ge4 Ge5 109.47(3) . . ?
Co1 Ge4 K2 99.13(4) . . ?
Ge1 Ge4 K2 142.77(4) . . ?
Ge8 Ge4 K2 69.00(4) . . ?
Ge3 Ge4 K2 130.76(4) . . ?
Ge5 Ge4 K2 76.73(4) . . ?
Co1 Ge5 Ge6 56.88(3) . . ?
Co1 Ge5 Ge4 56.66(3) . . ?
Ge6 Ge5 Ge4 106.83(3) . . ?
Co1 Ge5 Ge1 53.30(2) . . ?
Ge6 Ge5 Ge1 62.60(2) . . ?
Ge4 Ge5 Ge1 55.30(2) . . ?
Co1 Ge5 Ge9 47.26(2) . . ?
Ge6 Ge5 Ge9 62.75(2) . . ?
Ge4 Ge5 Ge9 91.55(3) . . ?
Ge1 Ge5 Ge9 98.58(3) . . ?
Co1 Ge5 K4 121.22(4) . . ?
Ge6 Ge5 K4 66.25(4) . . ?
Ge4 Ge5 K4 166.48(4) . . ?
Ge1 Ge5 K4 111.88(4) . . ?
Ge9 Ge5 K4 95.02(4) . . ?
Co1 Ge5 K2 89.76(4) . . ?
Ge6 Ge5 K2 140.86(4) . . ?
Ge4 Ge5 K2 60.68(3) . . ?
Ge1 Ge5 K2 115.91(3) . . ?
Ge9 Ge5 K2 79.88(3) . . ?
K4 Ge5 K2 132.18(5) . . ?
Co1 Ge6 Ge5 57.18(3) . . ?
Co1 Ge6 Ge2 56.59(3) . . ?
Ge5 Ge6 Ge2 107.83(3) . . ?
Co1 Ge6 Ge1 53.89(2) . . ?
Ge5 Ge6 Ge1 63.97(2) . . ?
Ge2 Ge6 Ge1 56.02(2) . . ?
Co1 Ge6 Ge9 47.78(2) . . ?
Ge5 Ge6 Ge9 64.06(2) . . ?
Ge2 Ge6 Ge9 90.22(3) . . ?
Ge1 Ge6 Ge9 100.16(3) . . ?
Co1 Ge6 K4 124.65(5) . . ?
Ge5 Ge6 K4 69.52(4) . . ?
Ge2 Ge6 K4 169.48(4) . . ?
Ge1 Ge6 K4 115.11(4) . . ?
Ge9 Ge6 K4 97.37(4) . . ?
Co1 Ge6 K1 90.61(4) . . ?
Ge5 Ge6 K1 140.28(4) . . ?
Ge2 Ge6 K1 61.92(3) . . ?
Ge1 Ge6 K1 117.90(3) . . ?
Ge9 Ge6 K1 77.22(3) . . ?
K4 Ge6 K1 126.85(4) . . ?
Co1 Ge7 Ge8 56.48(3) . . ?
Co1 Ge7 Ge2 57.03(3) . . ?
Ge8 Ge7 Ge2 107.18(3) . . ?
Co1 Ge7 Ge3 56.67(3) . . ?
Ge8 Ge7 Ge3 62.07(3) . . ?
Ge2 Ge7 Ge3 59.06(2) . . ?
Co1 Ge7 K3 108.78(5) . . ?
Ge8 Ge7 K3 67.40(5) . . ?
Ge2 Ge7 K3 161.63(4) . . ?
Ge3 Ge7 K3 125.67(5) . . ?
Co1 Ge7 K1 93.12(4) . . ?
Ge8 Ge7 K1 141.90(4) . . ?
Ge2 Ge7 K1 64.10(3) . . ?
Ge3 Ge7 K1 123.15(4) . . ?
K3 Ge7 K1 108.56(5) . . ?
Co1 Ge8 Ge7 57.33(3) . . ?
Co1 Ge8 Ge4 57.50(3) . . ?
Ge7 Ge8 Ge4 107.75(3) . . ?
Co1 Ge8 Ge3 56.44(3) . . ?
Ge7 Ge8 Ge3 60.91(2) . . ?
Ge4 Ge8 Ge3 59.42(3) . . ?
Co1 Ge8 K3 110.59(5) . . ?
Ge7 Ge8 K3 68.98(5) . . ?
Ge4 Ge8 K3 163.49(4) . . ?
Ge3 Ge8 K3 126.06(5) . . ?
Co1 Ge8 K2 98.67(5) . . ?
Ge7 Ge8 K2 148.53(4) . . ?
Ge4 Ge8 K2 66.65(4) . . ?
Ge3 Ge8 K2 125.82(4) . . ?
K3 Ge8 K2 107.18(5) . . ?
Co1 Ge9 Co2 166.85(4) . . ?
Co1 Ge9 Ge6 53.97(3) . . ?
Co2 Ge9 Ge6 115.84(3) . . ?
Co1 Ge9 Ge13 129.90(4) . . ?
Co2 Ge9 Ge13 53.78(3) . . ?
Ge6 Ge9 Ge13 150.85(3) . . ?
Co1 Ge9 Ge10 134.80(4) . . ?
Co2 Ge9 Ge10 53.33(3) . . ?
Ge6 Ge9 Ge10 109.20(3) . . ?
Ge13 Ge9 Ge10 86.35(3) . . ?
Co1 Ge9 Ge12 116.09(3) . . ?
Co2 Ge9 Ge12 54.01(3) . . ?
Ge6 Ge9 Ge12 98.10(3) . . ?
Ge13 Ge9 Ge12 53.05(2) . . ?
Ge10 Ge9 Ge12 107.25(3) . . ?
Co1 Ge9 Ge5 53.59(3) . . ?
Co2 Ge9 Ge5 114.37(3) . . ?
Ge6 Ge9 Ge5 53.19(2) . . ?
Ge13 Ge9 Ge5 103.18(3) . . ?
Ge10 Ge9 Ge5 155.08(3) . . ?
Ge12 Ge9 Ge5 63.74(2) . . ?
Co1 Ge9 Ge11 119.92(3) . . ?
Co2 Ge9 Ge11 53.49(3) . . ?
Ge6 Ge9 Ge11 67.33(2) . . ?
Ge13 Ge9 Ge11 107.12(3) . . ?
Ge10 Ge9 Ge11 53.72(2) . . ?
Ge12 Ge9 Ge11 81.36(2) . . ?
Ge5 Ge9 Ge11 101.36(3) . . ?
Co1 Ge9 K3 104.81(4) . . ?
Co2 Ge9 K3 88.11(4) . . ?
Ge6 Ge9 K3 145.26(4) . . ?
Ge13 Ge9 K3 63.58(4) . . ?
Ge10 Ge9 K3 63.91(4) . . ?
Ge12 Ge9 K3 116.58(4) . . ?
Ge5 Ge9 K3 140.94(5) . . ?
Ge11 Ge9 K3 117.55(4) . . ?
Co2 Ge10 Ge11 56.66(3) . . ?
Co2 Ge10 Ge14 57.16(3) . . ?
Ge11 Ge10 Ge14 108.74(3) . . ?
Co2 Ge10 Ge15 55.74(3) . . ?
Ge11 Ge10 Ge15 65.36(3) . . ?
Ge14 Ge10 Ge15 57.82(2) . . ?
Co2 Ge10 Ge9 47.51(2) . . ?
Ge11 Ge10 Ge9 63.29(2) . . ?
Ge14 Ge10 Ge9 89.55(3) . . ?
Ge15 Ge10 Ge9 101.81(3) . . ?
Co2 Ge10 K1 115.33(4) . . ?
Ge11 Ge10 K1 68.46(3) . . ?
Ge14 Ge10 K1 169.10(4) . . ?
Ge15 Ge10 K1 126.39(4) . . ?
Ge9 Ge10 K1 79.78(3) . . ?
Co2 Ge10 K1 114.94(4) . 3_666 ?
Ge11 Ge10 K1 71.21(4) . 3_666 ?
Ge14 Ge10 K1 118.41(4) . 3_666 ?
Ge15 Ge10 K1 69.34(3) . 3_666 ?
Ge9 Ge10 K1 132.46(4) . 3_666 ?
K1 Ge10 K1 71.27(4) . 3_666 ?
Co2 Ge10 K3 89.69(5) . . ?
Ge11 Ge10 K3 133.55(4) . . ?
Ge14 Ge10 K3 66.69(4) . . ?
Ge15 Ge10 K3 124.12(4) . . ?
Ge9 Ge10 K3 70.38(4) . . ?
K1 Ge10 K3 107.10(4) . . ?
K1 Ge10 K3 153.89(5) 3_666 . ?
Co2 Ge11 Ge10 56.25(3) . . ?
Co2 Ge11 Ge17 57.25(3) . . ?
Ge10 Ge11 Ge17 106.46(3) . . ?
Co2 Ge11 Ge9 47.35(2) . . ?
Ge10 Ge11 Ge9 63.00(2) . . ?
Ge17 Ge11 Ge9 92.09(3) . . ?
Co2 Ge11 K1 114.34(4) . . ?
Ge10 Ge11 K1 67.69(3) . . ?
Ge17 Ge11 K1 171.15(4) . . ?
Ge9 Ge11 K1 79.36(3) . . ?
Co2 Ge11 K1 110.27(4) . 3_666 ?
Ge10 Ge11 K1 65.80(3) . 3_666 ?
Ge17 Ge11 K1 114.87(3) . 3_666 ?
Ge9 Ge11 K1 127.00(4) . 3_666 ?
K1 Ge11 K1 69.51(4) . 3_666 ?
Co2 Ge11 K4 97.58(4) . . ?
Ge10 Ge11 K4 148.76(4) . . ?
Ge17 Ge11 K4 63.67(4) . . ?
Ge9 Ge11 K4 87.02(3) . . ?
K1 Ge11 K4 117.61(4) . . ?
K1 Ge11 K4 145.35(4) 3_666 . ?
Co2 Ge12 Ge13 56.74(3) . . ?
Co2 Ge12 Ge17 57.10(3) . . ?
Ge13 Ge12 Ge17 106.72(3) . . ?
Co2 Ge12 Ge9 47.38(2) . . ?
Ge13 Ge12 Ge9 62.99(2) . . ?
Ge17 Ge12 Ge9 92.25(3) . . ?
Co2 Ge12 K2 112.73(4) . . ?
Ge13 Ge12 K2 63.15(4) . . ?
Ge17 Ge12 K2 169.53(4) . . ?
Ge9 Ge12 K2 80.80(3) . . ?
Co2 Ge12 K4 98.31(4) . . ?
Ge13 Ge12 K4 149.77(4) . . ?
Ge17 Ge12 K4 64.30(3) . . ?
Ge9 Ge12 K4 87.83(4) . . ?
K2 Ge12 K4 122.79(4) . . ?
Co2 Ge13 Ge12 57.67(3) . . ?
Co2 Ge13 Ge14 56.68(3) . . ?
Ge12 Ge13 Ge14 109.24(3) . . ?
Co2 Ge13 Ge16 55.22(3) . . ?
Ge12 Ge13 Ge16 65.77(3) . . ?
Ge14 Ge13 Ge16 57.30(2) . . ?
Co2 Ge13 Ge9 47.86(2) . . ?
Ge12 Ge13 Ge9 63.96(2) . . ?
Ge14 Ge13 Ge9 89.44(3) . . ?
Ge16 Ge13 Ge9 101.68(3) . . ?
Co2 Ge13 K2 124.56(5) . . ?
Ge12 Ge13 K2 75.98(4) . . ?
Ge14 Ge13 K2 171.33(4) . . ?
Ge16 Ge13 K2 131.16(4) . . ?
Ge9 Ge13 K2 86.75(4) . . ?
Co2 Ge13 K3 90.25(5) . . ?
Ge12 Ge13 K3 134.88(4) . . ?
Ge14 Ge13 K3 66.82(4) . . ?
Ge16 Ge13 K3 123.81(5) . . ?
Ge9 Ge13 K3 70.98(4) . . ?
K2 Ge13 K3 104.55(5) . . ?
Co2 Ge14 Ge15 57.09(3) . . ?
Co2 Ge14 Ge16 56.85(3) . . ?
Ge15 Ge14 Ge16 62.39(3) . . ?
Co2 Ge14 Ge10 55.05(3) . . ?
Ge15 Ge14 Ge10 62.74(3) . . ?
Ge16 Ge14 Ge10 107.67(3) . . ?
Co2 Ge14 Ge13 54.61(3) . . ?
Ge15 Ge14 Ge13 107.63(3) . . ?
Ge16 Ge14 Ge13 62.82(3) . . ?
Ge10 Ge14 Ge13 94.49(3) . . ?
Co2 Ge14 K3 90.56(4) . . ?
Ge15 Ge14 K3 131.98(4) . . ?
Ge16 Ge14 K3 131.32(5) . . ?
Ge10 Ge14 K3 69.71(4) . . ?
Ge13 Ge14 K3 68.87(5) . . ?
Co2 Ge15 Ge14 57.26(3) . . ?
Co2 Ge15 Ge17 56.05(3) . . ?
Ge14 Ge15 Ge17 105.52(3) . . ?
Co2 Ge15 Ge16 55.60(3) . . ?
Ge14 Ge15 Ge16 58.88(2) . . ?
Ge17 Ge15 Ge16 58.54(2) . . ?
Co2 Ge15 Ge10 53.88(3) . . ?
Ge14 Ge15 Ge10 59.44(2) . . ?
Ge17 Ge15 Ge10 101.25(3) . . ?
Ge16 Ge15 Ge10 102.70(3) . . ?
Co2 Ge15 K1 109.87(4) . 3_666 ?
Ge14 Ge15 K1 116.15(4) . 3_666 ?
Ge17 Ge15 K1 114.14(4) . 3_666 ?
Ge16 Ge15 K1 165.42(3) . 3_666 ?
Ge10 Ge15 K1 65.12(3) . 3_666 ?
Co2 Ge16 Ge14 57.27(3) . . ?
Co2 Ge16 Ge17 56.71(3) . . ?
Ge14 Ge16 Ge17 106.60(3) . . ?
Co2 Ge16 Ge15 55.83(3) . . ?
Ge14 Ge16 Ge15 58.73(3) . . ?
Ge17 Ge16 Ge15 60.04(3) . . ?
Co2 Ge16 Ge13 53.63(2) . . ?
Ge14 Ge16 Ge13 59.88(2) . . ?
Ge17 Ge16 Ge13 100.78(3) . . ?
Ge15 Ge16 Ge13 102.84(3) . . ?
Co2 Ge17 Ge11 56.01(3) . . ?
Co2 Ge17 Ge12 56.38(3) . . ?
Ge11 Ge17 Ge12 91.77(3) . . ?
Co2 Ge17 Ge16 56.80(3) . . ?
Ge11 Ge17 Ge16 109.61(3) . . ?
Ge12 Ge17 Ge16 67.02(3) . . ?
Co2 Ge17 Ge15 56.39(3) . . ?
Ge11 Ge17 Ge15 66.24(3) . . ?
Ge12 Ge17 Ge15 109.73(3) . . ?
Ge16 Ge17 Ge15 61.43(3) . . ?
Co2 Ge17 K4 104.57(4) . . ?
Ge11 Ge17 K4 75.08(4) . . ?
Ge12 Ge17 K4 74.18(4) . . ?
Ge16 Ge17 K4 140.95(4) . . ?
Ge15 Ge17 K4 141.13(4) . . ?
Ge9 Co1 Ge8 80.81(3) . . ?
Ge9 Co1 Ge6 78.25(3) . . ?
Ge8 Co1 Ge6 159.03(4) . . ?
Ge9 Co1 Ge5 79.15(3) . . ?
Ge8 Co1 Ge5 108.93(4) . . ?
Ge6 Co1 Ge5 65.94(3) . . ?
Ge9 Co1 Ge7 79.72(3) . . ?
Ge8 Co1 Ge7 66.19(3) . . ?
Ge6 Co1 Ge7 110.71(4) . . ?
Ge5 Co1 Ge7 158.83(4) . . ?
Ge9 Co1 Ge1 147.12(4) . . ?
Ge8 Co1 Ge1 126.05(4) . . ?
Ge6 Co1 Ge1 73.43(3) . . ?
Ge5 Co1 Ge1 74.32(3) . . ?
Ge7 Co1 Ge1 125.88(4) . . ?
Ge9 Co1 Ge2 118.45(4) . . ?
Ge8 Co1 Ge2 123.92(4) . . ?
Ge6 Co1 Ge2 68.50(3) . . ?
Ge5 Co1 Ge2 125.65(4) . . ?
Ge7 Co1 Ge2 66.86(3) . . ?
Ge1 Co1 Ge2 65.52(3) . . ?
Ge9 Co1 Ge4 121.69(4) . . ?
Ge8 Co1 Ge4 66.98(3) . . ?
Ge6 Co1 Ge4 124.35(4) . . ?
Ge5 Co1 Ge4 68.29(3) . . ?
Ge7 Co1 Ge4 123.21(4) . . ?
Ge1 Co1 Ge4 65.06(3) . . ?
Ge2 Co1 Ge4 119.86(4) . . ?
Ge9 Co1 Ge3 142.77(4) . . ?
Ge8 Co1 Ge3 69.45(3) . . ?
Ge6 Co1 Ge3 130.04(4) . . ?
Ge5 Co1 Ge3 130.94(4) . . ?
Ge7 Co1 Ge3 68.22(3) . . ?
Ge1 Co1 Ge3 70.04(3) . . ?
Ge2 Co1 Ge3 65.92(3) . . ?
Ge4 Co1 Ge3 66.61(3) . . ?
Ge9 Co2 Ge10 79.17(3) . . ?
Ge9 Co2 Ge13 78.36(3) . . ?
Ge10 Co2 Ge13 113.09(4) . . ?
Ge9 Co2 Ge11 79.16(3) . . ?
Ge10 Co2 Ge11 67.10(3) . . ?
Ge13 Co2 Ge11 156.98(4) . . ?
Ge9 Co2 Ge12 78.61(3) . . ?
Ge10 Co2 Ge12 157.48(4) . . ?
Ge13 Co2 Ge12 65.59(3) . . ?
Ge11 Co2 Ge12 104.96(4) . . ?
Ge9 Co2 Ge17 120.91(4) . . ?
Ge10 Co2 Ge17 123.58(4) . . ?
Ge13 Co2 Ge17 122.14(4) . . ?
Ge11 Co2 Ge17 66.74(3) . . ?
Ge12 Co2 Ge17 66.52(3) . . ?
Ge9 Co2 Ge16 145.64(4) . . ?
Ge10 Co2 Ge16 127.22(4) . . ?
Ge13 Co2 Ge16 71.15(3) . . ?
Ge11 Co2 Ge16 128.43(4) . . ?
Ge12 Co2 Ge16 74.68(3) . . ?
Ge17 Co2 Ge16 66.49(3) . . ?
Ge9 Co2 Ge15 145.60(4) . . ?
Ge10 Co2 Ge15 70.38(3) . . ?
Ge13 Co2 Ge15 128.04(4) . . ?
Ge11 Co2 Ge15 74.59(3) . . ?
Ge12 Co2 Ge15 129.44(4) . . ?
Ge17 Co2 Ge15 67.56(3) . . ?
Ge16 Co2 Ge15 68.57(3) . . ?
Ge9 Co2 Ge14 117.08(4) . . ?
Ge10 Co2 Ge14 67.79(3) . . ?
Ge13 Co2 Ge14 68.71(3) . . ?
Ge11 Co2 Ge14 127.26(4) . . ?
Ge12 Co2 Ge14 126.79(4) . . ?
Ge17 Co2 Ge14 122.01(4) . . ?
Ge16 Co2 Ge14 65.87(3) . . ?
Ge15 Co2 Ge14 65.65(3) . . ?
Ge2 K1 Ge10 104.17(4) . . ?
Ge2 K1 Ge10 140.83(5) . 3_666 ?
Ge10 K1 Ge10 108.73(4) . 3_666 ?
Ge2 K1 Ge11 94.65(4) . . ?
Ge10 K1 Ge11 43.84(2) . . ?
Ge10 K1 Ge11 94.56(4) 3_666 . ?
Ge2 K1 Ge7 44.76(2) . . ?
Ge10 K1 Ge7 68.81(3) . . ?
Ge10 K1 Ge7 173.52(6) 3_666 . ?
Ge11 K1 Ge7 87.59(4) . . ?
Ge2 K1 Ge15 113.58(4) . 3_666 ?
Ge10 K1 Ge15 139.80(5) . 3_666 ?
Ge10 K1 Ge15 45.54(2) 3_666 3_666 ?
Ge11 K1 Ge15 139.82(5) . 3_666 ?
Ge7 K1 Ge15 132.59(5) . 3_666 ?
Ge2 K1 Ge11 154.70(5) . 3_666 ?
Ge10 K1 Ge11 92.58(4) . 3_666 ?
Ge10 K1 Ge11 42.99(2) 3_666 3_666 ?
Ge11 K1 Ge11 110.49(4) . 3_666 ?
Ge7 K1 Ge11 130.57(5) . 3_666 ?
Ge15 K1 Ge11 47.24(2) 3_666 3_666 ?
Ge2 K1 Ge6 44.62(2) . . ?
Ge10 K1 Ge6 81.77(3) . . ?
Ge10 K1 Ge6 120.53(5) 3_666 . ?
Ge11 K1 Ge6 52.76(3) . . ?
Ge7 K1 Ge6 65.51(3) . . ?
Ge15 K1 Ge6 135.63(5) 3_666 . ?
Ge11 K1 Ge6 159.55(5) 3_666 . ?
Ge2 K1 K1 151.14(7) . 3_666 ?
Ge10 K1 K1 54.43(4) . 3_666 ?
Ge10 K1 K1 54.30(3) 3_666 3_666 ?
Ge11 K1 K1 56.62(4) . 3_666 ?
Ge7 K1 K1 122.92(6) . 3_666 ?
Ge15 K1 K1 93.06(5) 3_666 3_666 ?
Ge11 K1 K1 53.86(4) 3_666 3_666 ?
Ge6 K1 K1 108.27(6) . 3_666 ?
N7 K2 N6 77.4(3) 4_565 4_565 ?
N7 K2 N5 106.2(2) 4_565 4_565 ?
N6 K2 N5 72.8(3) 4_565 4_565 ?
N7 K2 Ge4 136.13(19) 4_565 . ?
N6 K2 Ge4 139.08(19) 4_565 . ?
N5 K2 Ge4 74.69(16) 4_565 . ?
N7 K2 K4 52.11(15) 4_565 4_565 ?
N6 K2 K4 58.10(19) 4_565 4_565 ?
N5 K2 K4 54.71(17) 4_565 4_565 ?
Ge4 K2 K4 118.13(7) . 4_565 ?
N7 K2 Ge13 80.69(15) 4_565 . ?
N6 K2 Ge13 110.45(18) 4_565 . ?
N5 K2 Ge13 172.98(18) 4_565 . ?
Ge4 K2 Ge13 99.63(4) . . ?
K4 K2 Ge13 132.32(6) 4_565 . ?
N7 K2 Ge8 145.14(15) 4_565 . ?
N6 K2 Ge8 125.4(2) 4_565 . ?
N5 K2 Ge8 105.87(17) 4_565 . ?
Ge4 K2 Ge8 44.35(3) . . ?
K4 K2 Ge8 159.94(7) 4_565 . ?
Ge13 K2 Ge8 67.13(3) . . ?
N7 K2 Ge12 64.35(15) 4_565 . ?
N6 K2 Ge12 133.62(19) 4_565 . ?
N5 K2 Ge12 141.1(2) 4_565 . ?
Ge4 K2 Ge12 87.21(4) . . ?
K4 K2 Ge12 109.62(6) 4_565 . ?
Ge13 K2 Ge12 40.87(2) . . ?
Ge8 K2 Ge12 82.11(4) . . ?
N7 K2 Ge5 97.38(17) 4_565 . ?
N6 K2 Ge5 171.1(2) 4_565 . ?
N5 K2 Ge5 102.3(2) 4_565 . ?
Ge4 K2 Ge5 42.58(3) . . ?
K4 K2 Ge5 113.03(7) 4_565 . ?
Ge13 K2 Ge5 75.33(4) . . ?
Ge8 K2 Ge5 62.64(3) . . ?
Ge12 K2 Ge5 46.87(3) . . ?
N11 K3 N10 72.7(3) . . ?
N11 K3 N10 82.3(3) . 3_665 ?
N10 K3 N10 108.25(17) . 3_665 ?
N11 K3 K3 68.5(2) . 3_665 ?
N10 K3 K3 54.45(14) . 3_665 ?
N10 K3 K3 53.80(15) 3_665 3_665 ?
N11 K3 Ge8 156.9(2) . . ?
N10 K3 Ge8 125.54(19) . . ?
N10 K3 Ge8 78.30(16) 3_665 . ?
K3 K3 Ge8 108.68(10) 3_665 . ?
N11 K3 Ge7 117.7(2) . . ?
N10 K3 Ge7 169.17(19) . . ?
N10 K3 Ge7 71.77(15) 3_665 . ?
K3 K3 Ge7 124.52(8) 3_665 . ?
Ge8 K3 Ge7 43.62(3) . . ?
N11 K3 Ge14 91.9(2) . . ?
N10 K3 Ge14 75.64(14) . . ?
N10 K3 Ge14 171.5(2) 3_665 . ?
K3 K3 Ge14 129.54(8) 3_665 . ?
Ge8 K3 Ge14 105.82(5) . . ?
Ge7 K3 Ge14 105.88(5) . . ?
N11 K3 Ge13 134.7(2) . . ?
N10 K3 Ge13 83.32(15) . . ?
N10 K3 Ge13 142.51(18) 3_665 . ?
K3 K3 Ge13 125.52(12) 3_665 . ?
Ge8 K3 Ge13 66.62(4) . . ?
Ge7 K3 Ge13 90.42(4) . . ?
Ge14 K3 Ge13 44.31(3) . . ?
N11 K3 Ge10 91.2(2) . . ?
N10 K3 Ge10 116.97(15) . . ?
N10 K3 Ge10 129.94(18) 3_665 . ?
K3 K3 Ge10 159.28(12) 3_665 . ?
Ge8 K3 Ge10 91.58(4) . . ?
Ge7 K3 Ge10 67.80(4) . . ?
Ge14 K3 Ge10 43.60(3) . . ?
Ge13 K3 Ge10 66.03(3) . . ?
N11 K3 Ge9 136.1(2) . . ?
N10 K3 Ge9 128.48(15) . . ?
N10 K3 Ge9 116.15(15) 3_665 . ?
K3 K3 Ge9 155.00(12) 3_665 . ?
Ge8 K3 Ge9 47.36(3) . . ?
Ge7 K3 Ge9 46.86(3) . . ?
Ge14 K3 Ge9 64.26(3) . . ?
Ge13 K3 Ge9 45.44(3) . . ?
Ge10 K3 Ge9 45.71(3) . . ?
N11 K3 H10E 75.9 . . ?
N10 K3 H10E 17.7 . . ?
N10 K3 H10E 125.9 3_665 . ?
K3 K3 H10E 72.1 3_665 . ?
Ge8 K3 H10E 126.1 . . ?
Ge7 K3 H10E 160.7 . . ?
Ge14 K3 H10E 57.9 . . ?
Ge13 K3 H10E 70.7 . . ?
Ge10 K3 H10E 99.8 . . ?
Ge9 K3 H10E 113.8 . . ?
N7 K4 N5 105.3(2) . . ?
N7 K4 N9 69.4(2) . . ?
N5 K4 N9 128.6(3) . . ?
N7 K4 N8 75.3(3) . . ?
N5 K4 N8 66.5(3) . . ?
N9 K4 N8 62.8(3) . . ?
N7 K4 Ge6 163.64(18) . . ?
N5 K4 Ge6 88.60(16) . . ?
N9 K4 Ge6 95.22(18) . . ?
N8 K4 Ge6 103.2(3) . . ?
N7 K4 Ge5 148.2(2) . . ?
N5 K4 Ge5 72.56(17) . . ?
N9 K4 Ge5 137.46(18) . . ?
N8 K4 Ge5 127.9(2) . . ?
Ge6 K4 Ge5 44.23(2) . . ?
N7 K4 K2 52.49(16) . 4_566 ?
N5 K4 K2 53.33(15) . 4_566 ?
N9 K4 K2 107.71(18) . 4_566 ?
N8 K4 K2 64.0(3) . 4_566 ?
Ge6 K4 K2 141.92(6) . 4_566 ?
Ge5 K4 K2 113.34(7) . 4_566 ?
N7 K4 Ge17 83.97(16) . . ?
N5 K4 Ge17 153.2(2) . . ?
N9 K4 Ge17 78.21(17) . . ?
N8 K4 Ge17 140.1(2) . . ?
Ge6 K4 Ge17 87.42(4) . . ?
Ge5 K4 Ge17 86.29(4) . . ?
K2 K4 Ge17 126.22(7) 4_566 . ?
N7 K4 Ge12 107.63(18) . . ?
N5 K4 Ge12 112.1(2) . . ?
N9 K4 Ge12 118.18(18) . . ?
N8 K4 Ge12 177.0(2) . . ?
Ge6 K4 Ge12 74.01(3) . . ?
Ge5 K4 Ge12 49.36(3) . . ?
K2 K4 Ge12 117.52(7) 4_566 . ?
Ge17 K4 Ge12 41.52(3) . . ?
N7 K4 Ge11 114.29(16) . . ?
N5 K4 Ge11 140.35(16) . . ?
N9 K4 Ge11 66.85(17) . . ?
N8 K4 Ge11 120.2(3) . . ?
Ge6 K4 Ge11 51.89(3) . . ?
Ge5 K4 Ge11 75.37(3) . . ?
K2 K4 Ge11 166.06(6) 4_566 . ?
Ge17 K4 Ge11 41.25(2) . . ?
Ge12 K4 Ge11 58.97(3) . . ?
N7 K4 H5E 122.8 . . ?
N5 K4 H5E 17.6 . . ?
N9 K4 H5E 130.7 . . ?
N8 K4 H5E 74.4 . . ?
Ge6 K4 H5E 71.2 . . ?
Ge5 K4 H5E 58.2 . . ?
K2 K4 H5E 70.8 4_566 . ?
Ge17 K4 H5E 144.1 . . ?
Ge12 K4 H5E 103.5 . . ?
Ge11 K4 H5E 122.8 . . ?
N7 K4 H7C 18.1 . . ?
N5 K4 H7C 116.7 . . ?
N9 K4 H7C 74.2 . . ?
N8 K4 H7C 93.1 . . ?
Ge6 K4 H7C 154.0 . . ?
Ge5 K4 H7C 134.7 . . ?
K2 K4 H7C 63.7 4_566 . ?
Ge17 K4 H7C 67.4 . . ?
Ge12 K4 H7C 89.9 . . ?
Ge11 K4 H7C 102.4 . . ?
H5E K4 H7C 133.6 . . ?
N7 K4 H7E 17.4 . . ?
N5 K4 H7E 113.0 . . ?
N9 K4 H7E 52.2 . . ?
N8 K4 H7E 67.0 . . ?
Ge6 K4 H7E 147.3 . . ?
Ge5 K4 H7E 163.5 . . ?
K2 K4 H7E 64.0 4_566 . ?
Ge17 K4 H7E 83.3 . . ?
Ge12 K4 H7E 115.9 . . ?
Ge11 K4 H7E 104.4 . . ?
H5E K4 H7E 129.7 . . ?
H7C K4 H7E 28.8 . . ?
O2 K5 O5 133.94(15) . . ?
O2 K5 O4 121.03(15) . . ?
O5 K5 O4 99.47(15) . . ?
O2 K5 O6 96.88(14) . . ?
O5 K5 O6 59.05(13) . . ?
O4 K5 O6 137.23(14) . . ?
O2 K5 O3 99.69(15) . . ?
O5 K5 O3 121.04(14) . . ?
O4 K5 O3 58.69(14) . . ?
O6 K5 O3 98.73(14) . . ?
O2 K5 O1 59.38(13) . . ?
O5 K5 O1 95.61(13) . . ?
O4 K5 O1 99.34(13) . . ?
O6 K5 O1 117.97(14) . . ?
O3 K5 O1 138.44(14) . . ?
O2 K5 N2 62.85(15) . . ?
O5 K5 N2 118.32(15) . . ?
O4 K5 N2 118.04(16) . . ?
O6 K5 N2 60.19(15) . . ?
O3 K5 N2 59.91(16) . . ?
O1 K5 N2 121.42(15) . . ?
O2 K5 N1 118.20(14) . . ?
O5 K5 N1 61.54(14) . . ?
O4 K5 N1 60.98(15) . . ?
O6 K5 N1 119.89(15) . . ?
O3 K5 N1 119.00(16) . . ?
O1 K5 N1 59.73(13) . . ?
N2 K5 N1 178.77(17) . . ?
C13 N1 C1 109.7(6) . . ?
C13 N1 C12 110.3(6) . . ?
C1 N1 C12 108.6(5) . . ?
C13 N1 K5 108.0(4) . . ?
C1 N1 K5 111.4(4) . . ?
C12 N1 K5 108.8(4) . . ?
C7 N2 C18 109.6(6) . . ?
C7 N2 C6 109.2(6) . . ?
C18 N2 C6 110.2(6) . . ?
C7 N2 K5 111.3(4) . . ?
C18 N2 K5 110.5(4) . . ?
C6 N2 K5 105.9(4) . . ?
C3 O1 C2 111.0(5) . . ?
C3 O1 K5 113.8(4) . . ?
C2 O1 K5 114.3(3) . . ?
C5 O2 C4 111.3(6) . . ?
C5 O2 K5 111.9(4) . . ?
C4 O2 K5 114.8(4) . . ?
C8 O3 C9 111.1(6) . . ?
C8 O3 K5 115.7(4) . . ?
C9 O3 K5 114.9(4) . . ?
C11 O4 C10 111.7(6) . . ?
C11 O4 K5 115.1(4) . . ?
C10 O4 K5 115.6(4) . . ?
C14 O5 C15 110.7(5) . . ?
C14 O5 K5 113.3(4) . . ?
C15 O5 K5 113.8(4) . . ?
C17 O6 C16 112.2(5) . . ?
C17 O6 K5 113.6(4) . . ?
C16 O6 K5 115.5(4) . . ?
N1 C1 C2 113.1(5) . . ?
N1 C1 H1A 109.0 . . ?
C2 C1 H1A 109.0 . . ?
N1 C1 H1B 109.0 . . ?
C2 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
O1 C2 C1 107.8(5) . . ?
O1 C2 H2A 110.1 . . ?
C1 C2 H2A 110.1 . . ?
O1 C2 H2B 110.1 . . ?
C1 C2 H2B 110.1 . . ?
H2A C2 H2B 108.5 . . ?
O1 C3 C4 109.0(5) . . ?
O1 C3 H3A 109.9 . . ?
C4 C3 H3A 109.9 . . ?
O1 C3 H3B 109.9 . . ?
C4 C3 H3B 109.9 . . ?
H3A C3 H3B 108.3 . . ?
O2 C4 C3 108.7(6) . . ?
O2 C4 H4A 110.0 . . ?
C3 C4 H4A 110.0 . . ?
O2 C4 H4B 110.0 . . ?
C3 C4 H4B 110.0 . . ?
H4A C4 H4B 108.3 . . ?
O2 C5 C6 109.9(7) . . ?
O2 C5 H5A 109.7 . . ?
C6 C5 H5A 109.7 . . ?
O2 C5 H5B 109.7 . . ?
C6 C5 H5B 109.7 . . ?
H5A C5 H5B 108.2 . . ?
N2 C6 C5 113.8(7) . . ?
N2 C6 H6A 108.8 . . ?
C5 C6 H6A 108.8 . . ?
N2 C6 H6B 108.8 . . ?
C5 C6 H6B 108.8 . . ?
H6A C6 H6B 107.7 . . ?
N2 C7 C8 114.6(6) . . ?
N2 C7 H7A 108.6 . . ?
C8 C7 H7A 108.6 . . ?
N2 C7 H7B 108.6 . . ?
C8 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
O3 C8 C7 109.5(6) . . ?
O3 C8 H8A 109.8 . . ?
C7 C8 H8A 109.8 . . ?
O3 C8 H8B 109.8 . . ?
C7 C8 H8B 109.8 . . ?
H8A C8 H8B 108.2 . . ?
O3 C9 C10 108.5(6) . . ?
O3 C9 H9A 110.0 . . ?
C10 C9 H9A 110.0 . . ?
O3 C9 H9B 110.0 . . ?
C10 C9 H9B 110.0 . . ?
H9A C9 H9B 108.4 . . ?
O4 C10 C9 109.4(6) . . ?
O4 C10 H10A 109.8 . . ?
C9 C10 H10A 109.8 . . ?
O4 C10 H10B 109.8 . . ?
C9 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
O4 C11 C12 109.6(6) . . ?
O4 C11 H11A 109.8 . . ?
C12 C11 H11A 109.8 . . ?
O4 C11 H11B 109.8 . . ?
C12 C11 H11B 109.8 . . ?
H11A C11 H11B 108.2 . . ?
N1 C12 C11 114.2(6) . . ?
N1 C12 H12A 108.7 . . ?
C11 C12 H12A 108.7 . . ?
N1 C12 H12B 108.7 . . ?
C11 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
N1 C13 C14 113.5(6) . . ?
N1 C13 H13A 108.9 . . ?
C14 C13 H13A 108.9 . . ?
N1 C13 H13B 108.9 . . ?
C14 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
O5 C14 C13 109.9(6) . . ?
O5 C14 H14A 109.7 . . ?
C13 C14 H14A 109.7 . . ?
O5 C14 H14B 109.7 . . ?
C13 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
O5 C15 C16 108.2(6) . . ?
O5 C15 H15A 110.0 . . ?
C16 C15 H15A 110.0 . . ?
O5 C15 H15B 110.0 . . ?
C16 C15 H15B 110.0 . . ?
H15A C15 H15B 108.4 . . ?
O6 C16 C15 108.7(5) . . ?
O6 C16 H16A 110.0 . . ?
C15 C16 H16A 110.0 . . ?
O6 C16 H16B 110.0 . . ?
C15 C16 H16B 110.0 . . ?
H16A C16 H16B 108.3 . . ?
O6 C17 C18 108.9(5) . . ?
O6 C17 H17A 109.9 . . ?
C18 C17 H17A 109.9 . . ?
O6 C17 H17B 109.9 . . ?
C18 C17 H17B 109.9 . . ?
H17A C17 H17B 108.3 . . ?
N2 C18 C17 113.0(6) . . ?
N2 C18 H18A 109.0 . . ?
C17 C18 H18A 109.0 . . ?
N2 C18 H18B 109.0 . . ?
C17 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
O7 K6 O9 117.28(14) . . ?
O7 K6 O11 98.79(14) . . ?
O9 K6 O11 138.60(14) . . ?
O7 K6 O8 60.47(14) . . ?
O9 K6 O8 97.11(14) . . ?
O11 K6 O8 119.11(14) . . ?
O7 K6 O10 96.49(13) . . ?
O9 K6 O10 60.65(13) . . ?
O11 K6 O10 97.62(13) . . ?
O8 K6 O10 137.99(14) . . ?
O7 K6 O12 140.73(14) . . ?
O9 K6 O12 97.09(13) . . ?
O11 K6 O12 60.21(13) . . ?
O8 K6 O12 98.97(14) . . ?
O10 K6 O12 117.74(13) . . ?
O7 K6 N4 120.01(14) . . ?
O9 K6 N4 60.33(13) . . ?
O11 K6 N4 119.15(14) . . ?
O8 K6 N4 60.74(14) . . ?
O10 K6 N4 119.80(14) . . ?
O12 K6 N4 60.19(13) . . ?
O7 K6 N3 60.03(14) . . ?
O9 K6 N3 119.74(14) . . ?
O11 K6 N3 60.76(14) . . ?
O8 K6 N3 119.28(14) . . ?
O10 K6 N3 60.26(13) . . ?
O12 K6 N3 119.72(14) . . ?
N4 K6 N3 179.90(16) . . ?
C30 N3 C31 110.2(5) . . ?
C30 N3 C19 109.9(5) . . ?
C31 N3 C19 109.5(5) . . ?
C30 N3 K6 109.2(4) . . ?
C31 N3 K6 108.6(4) . . ?
C19 N3 K6 109.4(4) . . ?
C24 N4 C36 109.5(5) . . ?
C24 N4 C25 110.4(5) . . ?
C36 N4 C25 108.4(5) . . ?
C24 N4 K6 108.9(4) . . ?
C36 N4 K6 110.3(4) . . ?
C25 N4 K6 109.5(4) . . ?
C21 O7 C20 111.4(5) . . ?
C21 O7 K6 116.6(4) . . ?
C20 O7 K6 119.3(4) . . ?
C22 O8 C23 109.8(5) . . ?
C22 O8 K6 111.8(4) . . ?
C23 O8 K6 118.3(4) . . ?
C27 O9 C26 111.6(5) . . ?
C27 O9 K6 115.7(4) . . ?
C26 O9 K6 119.6(4) . . ?
C29 O10 C28 110.1(5) . . ?
C29 O10 K6 117.5(4) . . ?
C28 O10 K6 112.5(3) . . ?
C32 O11 C33 111.3(5) . . ?
C32 O11 K6 118.8(4) . . ?
C33 O11 K6 115.2(3) . . ?
C35 O12 C34 111.5(5) . . ?
C35 O12 K6 117.7(4) . . ?
C34 O12 K6 112.6(3) . . ?
N3 C19 C20 113.7(5) . . ?
N3 C19 H19A 108.8 . . ?
C20 C19 H19A 108.8 . . ?
N3 C19 H19B 108.8 . . ?
C20 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
O7 C20 C19 108.6(5) . . ?
O7 C20 H20A 110.0 . . ?
C19 C20 H20A 110.0 . . ?
O7 C20 H20B 110.0 . . ?
C19 C20 H20B 110.0 . . ?
H20A C20 H20B 108.3 . . ?
O7 C21 C22 109.9(5) . . ?
O7 C21 H21A 109.7 . . ?
C22 C21 H21A 109.7 . . ?
O7 C21 H21B 109.7 . . ?
C22 C21 H21B 109.7 . . ?
H21A C21 H21B 108.2 . . ?
O8 C22 C21 109.7(6) . . ?
O8 C22 H22A 109.7 . . ?
C21 C22 H22A 109.7 . . ?
O8 C22 H22B 109.7 . . ?
C21 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
O8 C23 C24 109.8(6) . . ?
O8 C23 H23A 109.7 . . ?
C24 C23 H23A 109.7 . . ?
O8 C23 H23B 109.7 . . ?
C24 C23 H23B 109.7 . . ?
H23A C23 H23B 108.2 . . ?
N4 C24 C23 113.2(6) . . ?
N4 C24 H24A 108.9 . . ?
C23 C24 H24A 108.9 . . ?
N4 C24 H24B 108.9 . . ?
C23 C24 H24B 108.9 . . ?
H24A C24 H24B 107.7 . . ?
N4 C25 C26 114.0(5) . . ?
N4 C25 H25A 108.7 . . ?
C26 C25 H25A 108.7 . . ?
N4 C25 H25B 108.7 . . ?
C26 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
O9 C26 C25 109.3(5) . . ?
O9 C26 H26A 109.8 . . ?
C25 C26 H26A 109.8 . . ?
O9 C26 H26B 109.8 . . ?
C25 C26 H26B 109.8 . . ?
H26A C26 H26B 108.3 . . ?
O9 C27 C28 110.4(5) . . ?
O9 C27 H27A 109.6 . . ?
C28 C27 H27A 109.6 . . ?
O9 C27 H27B 109.6 . . ?
C28 C27 H27B 109.6 . . ?
H27A C27 H27B 108.1 . . ?
O10 C28 C27 109.8(5) . . ?
O10 C28 H28A 109.7 . . ?
C27 C28 H28A 109.7 . . ?
O10 C28 H28B 109.7 . . ?
C27 C28 H28B 109.7 . . ?
H28A C28 H28B 108.2 . . ?
O10 C29 C30 109.2(5) . . ?
O10 C29 H29A 109.8 . . ?
C30 C29 H29A 109.8 . . ?
O10 C29 H29B 109.8 . . ?
C30 C29 H29B 109.8 . . ?
H29A C29 H29B 108.3 . . ?
N3 C30 C29 113.6(5) . . ?
N3 C30 H30A 108.9 . . ?
C29 C30 H30A 108.9 . . ?
N3 C30 H30B 108.9 . . ?
C29 C30 H30B 108.9 . . ?
H30A C30 H30B 107.7 . . ?
N3 C31 C32 114.2(5) . . ?
N3 C31 H31A 108.7 . . ?
C32 C31 H31A 108.7 . . ?
N3 C31 H31B 108.7 . . ?
C32 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
O11 C32 C31 110.3(5) . . ?
O11 C32 H32A 109.6 . . ?
C31 C32 H32A 109.6 . . ?
O11 C32 H32B 109.6 . . ?
C31 C32 H32B 109.6 . . ?
H32A C32 H32B 108.1 . . ?
O11 C33 C34 109.4(5) . . ?
O11 C33 H33A 109.8 . . ?
C34 C33 H33A 109.8 . . ?
O11 C33 H33B 109.8 . . ?
C34 C33 H33B 109.8 . . ?
H33A C33 H33B 108.2 . . ?
O12 C34 C33 109.3(5) . . ?
O12 C34 H34A 109.8 . . ?
C33 C34 H34A 109.8 . . ?
O12 C34 H34B 109.8 . . ?
C33 C34 H34B 109.8 . . ?
H34A C34 H34B 108.3 . . ?
O12 C35 C36 110.2(5) . . ?
O12 C35 H35A 109.6 . . ?
C36 C35 H35A 109.6 . . ?
O12 C35 H35B 109.6 . . ?
C36 C35 H35B 109.6 . . ?
H35A C35 H35B 108.1 . . ?
N4 C36 C35 113.3(5) . . ?
N4 C36 H36A 108.9 . . ?
C35 C36 H36A 108.9 . . ?
N4 C36 H36B 108.9 . . ?
C35 C36 H36B 108.9 . . ?
H36A C36 H36B 107.7 . . ?
K2 N5 K4 71.97(19) 4_566 . ?
K2 N5 H5C 96.0 4_566 . ?
K4 N5 H5C 123.3 . . ?
K2 N5 H5D 83.6 4_566 . ?
K4 N5 H5D 123.1 . . ?
H5C N5 H5D 109.5 . . ?
K2 N5 H5E 144.3 4_566 . ?
K4 N5 H5E 73.2 . . ?
H5C N5 H5E 109.5 . . ?
H5D N5 H5E 109.5 . . ?
K2 N6 H6C 109.5 4_566 . ?
K2 N6 H6D 109.5 4_566 . ?
H6C N6 H6D 109.5 . . ?
K2 N6 H6E 109.5 4_566 . ?
H6C N6 H6E 109.5 . . ?
H6D N6 H6E 109.5 . . ?
K4 N7 K2 75.40(18) . 4_566 ?
K4 N7 H7C 84.2 . . ?
K2 N7 H7C 120.4 4_566 . ?
K4 N7 H7D 147.3 . . ?
K2 N7 H7D 72.1 4_566 . ?
H7C N7 H7D 109.5 . . ?
K4 N7 H7E 92.4 . . ?
K2 N7 H7E 126.5 4_566 . ?
H7C N7 H7E 109.5 . . ?
H7D N7 H7E 109.5 . . ?
K4 N8 H8C 109.5 . . ?
K4 N8 H8D 109.5 . . ?
H8C N8 H8D 109.5 . . ?
K4 N8 H8E 109.5 . . ?
H8C N8 H8E 109.5 . . ?
H8D N8 H8E 109.5 . . ?
K4 N9 H9C 109.5 . . ?
K4 N9 H9D 109.5 . . ?
H9C N9 H9D 109.5 . . ?
K4 N9 H9E 109.5 . . ?
H9C N9 H9E 109.5 . . ?
H9D N9 H9E 109.5 . . ?
K3 N10 K3 71.75(17) . 3_665 ?
K3 N10 H10C 127.0 . . ?
K3 N10 H10C 86.6 3_665 . ?
K3 N10 H10D 119.3 . . ?
K3 N10 H10D 93.1 3_665 . ?
H10C N10 H10D 109.5 . . ?
K3 N10 H10E 73.7 . . ?
K3 N10 H10E 144.8 3_665 . ?
H10C N10 H10E 109.5 . . ?
H10D N10 H10E 109.5 . . ?
K3 N11 H11C 109.5 . . ?
K3 N11 H11D 109.5 . . ?
H11C N11 H11D 109.5 . . ?
K3 N11 H11E 109.5 . . ?
H11C N11 H11E 109.5 . . ?
H11D N11 H11E 109.5 . . ?
H12C N12 H12D 109.5 . . ?
H12C N12 H12E 109.5 . . ?
H12D N12 H12E 109.5 . . ?
H13C N13 H13D 109.5 . . ?
H13C N13 H13E 109.5 . . ?
H13D N13 H13E 109.5 . . ?
H14C N14 H14D 109.5 . . ?
H14C N14 H14E 109.5 . . ?
H14D N14 H14E 109.5 . . ?
H15C N15 H15D 109.5 . . ?
H15C N15 H15E 109.5 . . ?
H15D N15 H15E 109.5 . . ?
H16C N16 H16D 109.5 . . ?
H16C N16 H16E 109.5 . . ?
H16D N16 H16E 109.5 . . ?
H17C N17 H17D 109.5 . . ?
H17C N17 H17E 109.5 . . ?
H17D N17 H17E 109.5 . . ?
H18C N18 H18D 109.5 . . ?
H18C N18 H18E 109.5 . . ?
H18D N18 H18E 109.5 . . ?
H19C N19 H19D 109.5 . . ?
H19C N19 H19E 109.5 . . ?
H19D N19 H19E 109.5 . . ?

_refine_diff_density_max         1.553
_refine_diff_density_min         -1.455
_refine_diff_density_rms         0.154

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_BW-514-3
_database_code_depnum_ccdc_archive 'CCDC 2081219'
loop_
_audit_author_name
_audit_author_address
'Wilhelm Klein'
;Technische Universitaet Muenchen
Germany
;
_audit_update_record             
;
2021-04-30 deposited with the CCDC.	2021-09-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         '3(C18 H36 K N2 O6), Co Ge10, 9(H3 N)'
_chemical_formula_sum            'C54 H135 Co Ge10 K3 N15 O18'
_chemical_formula_weight         2184.89

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'
Co Co 0.3494 0.9721 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   12.4142(14)
_cell_length_b                   16.1395(17)
_cell_length_c                   25.212(3)
_cell_angle_alpha                72.851(9)
_cell_angle_beta                 89.887(9)
_cell_angle_gamma                70.505(9)
_cell_volume                     4524.1(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6696
_cell_measurement_theta_min      1.55
_cell_measurement_theta_max      33.07

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    3.649
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.502
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'STOE X-AREA 1.76'

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_source_voltage           50
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 STOE
_diffrn_detector_type            'Pilatus 300K'
_diffrn_detector_area_resol_mean 5.81
_diffrn_reflns_number            15796
_diffrn_reflns_av_unetI/netI     0.1500
_diffrn_reflns_av_R_equivalents  0.0965
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.818
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.739
_diffrn_measured_fraction_theta_full 0.746
_diffrn_reflns_Laue_measured_fraction_max 0.739
_diffrn_reflns_Laue_measured_fraction_full 0.746
_diffrn_reflns_point_group_measured_fraction_max 0.739
_diffrn_reflns_point_group_measured_fraction_full 0.746
_reflns_number_total             13148
_reflns_number_gt                6137
_reflns_threshold_expression     'I > 2σ(I)'

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
;

_computing_data_collection       'STOE X-AREA 1.76'
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_reduction        'STOE X-AREA 1.76'
_computing_structure_solution    SHELXS-97
_computing_structure_refinement  SHELXL-2014/7
_computing_molecular_graphics    'DIAMOND 3.2k'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1083P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13148
_refine_ls_number_parameters     910
_refine_ls_number_restraints     104
_refine_ls_R_factor_all          0.1618
_refine_ls_R_factor_gt           0.0757
_refine_ls_wR_factor_ref         0.2110
_refine_ls_wR_factor_gt          0.1682
_refine_ls_goodness_of_fit_ref   0.902
_refine_ls_restrained_S_all      0.909
_refine_ls_shift/su_max          0.000
_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_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
Ge1 Ge 0.13150(14) 0.75940(10) 0.09830(7) 0.0345(4) Uani 1 1 d . . . . .
Ge2 Ge 0.02984(12) 0.75003(10) 0.18491(7) 0.0320(4) Uani 1 1 d . . . . .
Ge3 Ge 0.17316(13) 0.63834(11) 0.26774(7) 0.0331(4) Uani 1 1 d . . . . .
Ge4 Ge 0.36448(12) 0.58145(11) 0.23165(7) 0.0333(4) Uani 1 1 d . . . . .
Ge5 Ge 0.34002(13) 0.65508(11) 0.12712(7) 0.0346(4) Uani 1 1 d . . . . .
Ge6 Ge 0.08388(13) 0.62125(11) 0.08563(7) 0.0344(4) Uani 1 1 d . . . . .
Ge7 Ge -0.02193(12) 0.61359(11) 0.17101(7) 0.0344(4) Uani 1 1 d . . . . .
Ge8 Ge 0.11959(13) 0.50237(10) 0.25364(7) 0.0348(4) Uani 1 1 d . . . . .
Ge9 Ge 0.31195(13) 0.44387(10) 0.21841(7) 0.0346(4) Uani 1 1 d . . . . .
Ge10 Ge 0.29053(13) 0.51805(11) 0.11495(7) 0.0350(4) Uani 1 1 d . . . . .
Co Co 0.18258(15) 0.60881(12) 0.17586(8) 0.0258(4) Uani 1 1 d . . . . .
K1 K 0.8593(2) 0.2637(2) 0.16926(13) 0.0310(7) Uani 1 1 d . . . . .
N1 N 0.7662(9) 0.4508(7) 0.0928(5) 0.029(3) Uani 1 1 d . . . . .
N2 N 0.9490(10) 0.0745(8) 0.2473(5) 0.040(3) Uani 1 1 d . . . . .
O1 O 0.7053(7) 0.2929(6) 0.0813(4) 0.029(2) Uani 1 1 d . . . . .
O2 O 0.8883(8) 0.1222(6) 0.1280(4) 0.037(2) Uani 1 1 d . . . . .
O3 O 0.7403(8) 0.2162(6) 0.2575(4) 0.037(2) Uani 1 1 d . . . . .
O4 O 0.7410(7) 0.4004(6) 0.2157(4) 0.032(2) Uani 1 1 d . . . . .
O5 O 1.0186(8) 0.3342(6) 0.1126(4) 0.034(2) Uani 1 1 d . . . . .
O6 O 1.0769(8) 0.2037(7) 0.2216(4) 0.040(3) Uani 1 1 d . . . . .
C1 C 0.7106(13) 0.4503(10) 0.0413(6) 0.037(4) Uani 1 1 d . . . . .
H1A H 0.7707 0.4291 0.0176 0.044 Uiso 1 1 calc R U . . .
H1B H 0.6610 0.5143 0.0204 0.044 Uiso 1 1 calc R U . . .
C2 C 0.6385(11) 0.3885(10) 0.0521(6) 0.034(3) Uani 1 1 d . . . . .
H2A H 0.5762 0.4112 0.0744 0.041 Uiso 1 1 calc R U . . .
H2B H 0.6024 0.3926 0.0160 0.041 Uiso 1 1 calc R U . . .
C3 C 0.7820(12) 0.2477(10) 0.0476(7) 0.039(4) Uani 1 1 d . . . . .
H3A H 0.8496 0.2676 0.0435 0.047 Uiso 1 1 calc R U . . .
H3B H 0.7424 0.2638 0.0099 0.047 Uiso 1 1 calc R U . . .
C4 C 0.8194(12) 0.1449(10) 0.0762(6) 0.037(4) Uani 1 1 d . . . . .
H4A H 0.7512 0.1262 0.0837 0.044 Uiso 1 1 calc R U . . .
H4B H 0.8648 0.1112 0.0518 0.044 Uiso 1 1 calc R U . . .
C5 C 0.8968(13) 0.0325(11) 0.1651(7) 0.050(4) Uani 1 1 d . . . . .
H5A H 0.9231 -0.0148 0.1457 0.060 Uiso 1 1 calc R U . . .
H5B H 0.8210 0.0336 0.1779 0.060 Uiso 1 1 calc R U . . .
C6 C 0.9834(12) 0.0103(9) 0.2144(6) 0.036(4) Uani 1 1 d . . . . .
H6A H 0.9954 -0.0531 0.2393 0.043 Uiso 1 1 calc R U . . .
H6B H 1.0577 0.0107 0.2004 0.043 Uiso 1 1 calc R U . . .
C7 C 0.8585(13) 0.0568(10) 0.2831(6) 0.037(4) Uani 1 1 d . . . . .
H7A H 0.8951 0.0015 0.3159 0.044 Uiso 1 1 calc R U . . .
H7B H 0.8042 0.0424 0.2617 0.044 Uiso 1 1 calc R U . . .
C8 C 0.7919(14) 0.1358(12) 0.3033(8) 0.053(5) Uani 1 1 d . . . . .
H8A H 0.7319 0.1199 0.3257 0.063 Uiso 1 1 calc R U . . .
H8B H 0.8441 0.1475 0.3276 0.063 Uiso 1 1 calc R U . . .
C9 C 0.6681(13) 0.2910(10) 0.2747(6) 0.036(4) Uani 1 1 d . . . . .
H9A H 0.7090 0.2974 0.3060 0.043 Uiso 1 1 calc R U . . .
H9B H 0.5978 0.2788 0.2875 0.043 Uiso 1 1 calc R U . . .
C10 C 0.6365(11) 0.3781(10) 0.2262(7) 0.038(4) Uani 1 1 d . . . . .
H10A H 0.6064 0.3689 0.1929 0.046 Uiso 1 1 calc R U . . .
H10B H 0.5765 0.4291 0.2352 0.046 Uiso 1 1 calc R U . . .
C11 C 0.7192(12) 0.4926(10) 0.1805(6) 0.038(4) Uani 1 1 d . . . . .
H11A H 0.7894 0.5080 0.1828 0.045 Uiso 1 1 calc R U . . .
H11B H 0.6577 0.5353 0.1947 0.045 Uiso 1 1 calc R U . . .
C12 C 0.6836(12) 0.5087(10) 0.1199(6) 0.035(3) Uani 1 1 d . . . . .
H12A H 0.6099 0.4982 0.1174 0.042 Uiso 1 1 calc R U . . .
H12B H 0.6697 0.5744 0.0989 0.042 Uiso 1 1 calc R U . . .
C13 C 0.8630(12) 0.4855(9) 0.0799(6) 0.033(3) Uani 1 1 d . . . . .
H13A H 0.8838 0.5027 0.1120 0.040 Uiso 1 1 calc R U . . .
H13B H 0.8370 0.5422 0.0472 0.040 Uiso 1 1 calc R U . . .
C14 C 0.9683(12) 0.4169(10) 0.0678(7) 0.039(4) Uani 1 1 d . . . . .
H14A H 0.9476 0.4009 0.0351 0.047 Uiso 1 1 calc R U . . .
H14B H 1.0264 0.4469 0.0573 0.047 Uiso 1 1 calc R U . . .
C15 C 1.0843(13) 0.3426(10) 0.1571(7) 0.041(4) Uani 1 1 d . . . . .
H15A H 1.0318 0.3765 0.1793 0.049 Uiso 1 1 calc R U . . .
H15B H 1.1355 0.3772 0.1412 0.049 Uiso 1 1 calc R U . . .
C16 C 1.1538(12) 0.2472(11) 0.1932(8) 0.052(5) Uani 1 1 d . . . . .
H16A H 1.1989 0.2108 0.1701 0.062 Uiso 1 1 calc R U . . .
H16B H 1.2079 0.2502 0.2207 0.062 Uiso 1 1 calc R U . . .
C17 C 1.1339(12) 0.1076(9) 0.2488(6) 0.038(4) Uani 1 1 d . . . . .
H17A H 1.2009 0.0979 0.2741 0.045 Uiso 1 1 calc R U . . .
H17B H 1.1618 0.0755 0.2209 0.045 Uiso 1 1 calc R U . . .
C18 C 1.0492(13) 0.0685(11) 0.2822(7) 0.045(4) Uani 1 1 d . . . . .
H18A H 1.0905 0.0029 0.3037 0.055 Uiso 1 1 calc R U . . .
H18B H 1.0209 0.1025 0.3093 0.055 Uiso 1 1 calc R U . . .
K2 K 0.4406(2) 0.0346(2) 0.12507(13) 0.0291(7) Uani 1 1 d . . . . .
N3 N 0.4033(10) 0.2190(8) 0.0432(5) 0.038(3) Uani 1 1 d . . . . .
N4 N 0.4761(12) -0.1496(9) 0.2069(5) 0.044(3) Uani 1 1 d . . . . .
O7 O 0.2344(7) 0.1283(7) 0.0548(4) 0.039(2) Uani 1 1 d . . . . .
O8 O 0.2467(8) -0.0284(7) 0.1456(5) 0.043(3) Uani 1 1 d . . . . .
O9 O 0.5244(9) -0.0059(7) 0.2394(4) 0.038(2) Uani 1 1 d . . . . .
O10 O 0.4420(8) 0.1757(6) 0.1659(4) 0.036(2) Uani 1 1 d . . . . .
O11 O 0.6074(8) 0.0600(7) 0.0520(4) 0.036(2) Uani 1 1 d . . . . .
O12 O 0.6155(8) -0.1221(6) 0.1116(4) 0.034(2) Uani 1 1 d . . . . .
C19 C 0.3090(14) 0.2403(11) -0.0005(7) 0.048(4) Uani 1 1 d . . . . .
H19A H 0.3385 0.2030 -0.0257 0.057 Uiso 1 1 calc R U . . .
H19B H 0.2862 0.3064 -0.0230 0.057 Uiso 1 1 calc R U . . .
C20 C 0.2030(11) 0.2217(11) 0.0222(6) 0.039(4) Uani 1 1 d . . . . .
H20A H 0.1687 0.2620 0.0453 0.047 Uiso 1 1 calc R U . . .
H20B H 0.1450 0.2356 -0.0090 0.047 Uiso 1 1 calc R U . . .
C21 C 0.1341(14) 0.1040(12) 0.0725(8) 0.055(4) Uani 1 1 d . U . . .
H21A H 0.0767 0.1241 0.0400 0.066 Uiso 1 1 calc R U . . .
H21B H 0.0983 0.1357 0.0997 0.066 Uiso 1 1 calc R U . . .
C22 C 0.1704(13) 0.0025(11) 0.0987(7) 0.051(5) Uani 1 1 d . . . . .
H22A H 0.1018 -0.0145 0.1089 0.061 Uiso 1 1 calc R U . . .
H22B H 0.2065 -0.0285 0.0714 0.061 Uiso 1 1 calc R U . . .
C23 C 0.2778(14) -0.1241(11) 0.1706(8) 0.049(5) Uani 1 1 d . . . . .
H23A H 0.3104 -0.1558 0.1430 0.059 Uiso 1 1 calc R U . . .
H23B H 0.2082 -0.1389 0.1818 0.059 Uiso 1 1 calc R U . . .
C24 C 0.3620(16) -0.1590(11) 0.2197(8) 0.060(6) Uani 1 1 d . . . . .
H24A H 0.3738 -0.2251 0.2382 0.072 Uiso 1 1 calc R U . . .
H24B H 0.3301 -0.1251 0.2464 0.072 Uiso 1 1 calc R U . . .
C25 C 0.5464(18) -0.1644(13) 0.2565(8) 0.065(5) Uani 1 1 d . . . . .
H25A H 0.6269 -0.1761 0.2479 0.078 Uiso 1 1 calc R U . . .
H25B H 0.5442 -0.2205 0.2854 0.078 Uiso 1 1 calc R U . . .
C26 C 0.5090(18) -0.0820(11) 0.2810(7) 0.055(5) Uani 1 1 d . . . . .
H26A H 0.4276 -0.0669 0.2886 0.066 Uiso 1 1 calc R U . . .
H26B H 0.5572 -0.0975 0.3162 0.066 Uiso 1 1 calc R U . . .
C27 C 0.4988(15) 0.0722(11) 0.2606(7) 0.047(4) Uani 1 1 d . . . . .
H27A H 0.5505 0.0555 0.2949 0.056 Uiso 1 1 calc R U . . .
H27B H 0.4184 0.0906 0.2698 0.056 Uiso 1 1 calc R U . . .
C28 C 0.5164(13) 0.1507(10) 0.2159(7) 0.042(4) Uani 1 1 d . . . . .
H28A H 0.5005 0.2049 0.2295 0.051 Uiso 1 1 calc R U . . .
H28B H 0.5974 0.1320 0.2076 0.051 Uiso 1 1 calc R U . . .
C29 C 0.4509(15) 0.2573(10) 0.1278(7) 0.048(4) Uani 1 1 d . . . . .
H29A H 0.5311 0.2457 0.1186 0.057 Uiso 1 1 calc R U . . .
H29B H 0.4296 0.3077 0.1449 0.057 Uiso 1 1 calc R U . . .
C30 C 0.3702(14) 0.2852(10) 0.0749(7) 0.043(4) Uani 1 1 d . . . . .
H30A H 0.2916 0.2917 0.0854 0.052 Uiso 1 1 calc R U . . .
H30B H 0.3682 0.3464 0.0505 0.052 Uiso 1 1 calc R U . . .
C31 C 0.5085(12) 0.2238(10) 0.0157(6) 0.034(3) Uani 1 1 d . . . . .
H31A H 0.5605 0.2342 0.0408 0.041 Uiso 1 1 calc R U . . .
H31B H 0.4866 0.2769 -0.0191 0.041 Uiso 1 1 calc R U . . .
C32 C 0.5712(12) 0.1362(10) 0.0021(6) 0.035(4) Uani 1 1 d . . . . .
H32A H 0.5197 0.1255 -0.0231 0.042 Uiso 1 1 calc R U . . .
H32B H 0.6388 0.1424 -0.0173 0.042 Uiso 1 1 calc R U . . .
C33 C 0.6822(13) -0.0193(11) 0.0419(7) 0.047(4) Uani 1 1 d . . . . .
H33A H 0.7514 -0.0072 0.0273 0.056 Uiso 1 1 calc R U . . .
H33B H 0.6437 -0.0333 0.0130 0.056 Uiso 1 1 calc R U . . .
C34 C 0.7182(11) -0.1018(11) 0.0937(7) 0.044(4) Uani 1 1 d . . . . .
H34A H 0.7745 -0.1557 0.0858 0.053 Uiso 1 1 calc R U . . .
H34B H 0.7546 -0.0881 0.1235 0.053 Uiso 1 1 calc R U . . .
C35 C 0.6459(14) -0.2056(11) 0.1558(7) 0.050(4) Uani 1 1 d . . . . .
H35A H 0.6971 -0.2038 0.1852 0.060 Uiso 1 1 calc R U . . .
H35B H 0.6888 -0.2575 0.1420 0.060 Uiso 1 1 calc R U . . .
C36 C 0.5401(15) -0.2222(11) 0.1808(7) 0.046(4) Uani 1 1 d . . . . .
H36A H 0.4881 -0.2221 0.1510 0.056 Uiso 1 1 calc R U . . .
H36B H 0.5641 -0.2838 0.2094 0.056 Uiso 1 1 calc R U . . .
K3 K 0.7296(4) 0.6318(4) 0.43580(16) 0.0734(15) Uani 1 1 d . . . . .
N5 N 0.7692(18) 0.7743(15) 0.4881(8) 0.085(5) Uani 1 1 d . U . . .
N6 N 0.6701(12) 0.5045(11) 0.3833(6) 0.056(4) Uani 1 1 d . . . . .
O13 O 0.5479(16) 0.7876(12) 0.4495(6) 0.104(6) Uani 1 1 d . . . . .
O14 O 0.4950(13) 0.6451(10) 0.4217(6) 0.074(4) Uani 1 1 d . . . . .
O15 O 0.7767(9) 0.6400(7) 0.3261(4) 0.042(3) Uani 1 1 d . . . . .
O16 O 0.8710(13) 0.7306(11) 0.3826(5) 0.084(5) Uani 1 1 d . . . . .
O17 O 0.8375(15) 0.5626(14) 0.5457(7) 0.106(5) Uani 1 1 d D U . . .
O18 O 0.8195(13) 0.4332(11) 0.4906(6) 0.085(4) Uani 1 1 d . U . . .
C37 C 0.676(2) 0.8525(19) 0.4769(11) 0.103(8) Uani 1 1 d . U . . .
H37A H 0.6695 0.8891 0.4371 0.123 Uiso 1 1 calc R U . . .
H37B H 0.6868 0.8903 0.4998 0.123 Uiso 1 1 calc R U . . .
C38 C 0.565(2) 0.8315(17) 0.4894(10) 0.089(7) Uani 1 1 d . U . . .
H38A H 0.5731 0.7897 0.5280 0.107 Uiso 1 1 calc R U . . .
H38B H 0.4994 0.8893 0.4850 0.107 Uiso 1 1 calc R U . . .
C39 C 0.446(2) 0.767(2) 0.4596(11) 0.112(10) Uani 1 1 d . . . . .
H39A H 0.3839 0.8229 0.4615 0.135 Uiso 1 1 calc R U . . .
H39B H 0.4591 0.7186 0.4963 0.135 Uiso 1 1 calc R U . . .
C40 C 0.411(2) 0.7356(15) 0.4181(11) 0.089(7) Uani 1 1 d . . . . .
H40A H 0.4066 0.7800 0.3807 0.107 Uiso 1 1 calc R U . . .
H40B H 0.3344 0.7309 0.4239 0.107 Uiso 1 1 calc R U . . .
C41 C 0.4700(16) 0.6089(14) 0.3828(8) 0.064(6) Uani 1 1 d . . . . .
H41A H 0.4715 0.6505 0.3452 0.077 Uiso 1 1 calc R U . . .
H41B H 0.3909 0.6081 0.3856 0.077 Uiso 1 1 calc R U . . .
C42 C 0.5479(14) 0.5152(11) 0.3877(7) 0.049(4) Uani 1 1 d . . . . .
H42A H 0.5214 0.4953 0.3581 0.059 Uiso 1 1 calc R U . . .
H42B H 0.5418 0.4728 0.4241 0.059 Uiso 1 1 calc R U . . .
C43 C 0.6858(15) 0.5325(12) 0.3255(7) 0.052(5) Uani 1 1 d . . . . .
H43A H 0.6168 0.5859 0.3057 0.063 Uiso 1 1 calc R U . . .
H43B H 0.6900 0.4812 0.3107 0.063 Uiso 1 1 calc R U . . .
C44 C 0.7903(15) 0.5591(12) 0.3114(8) 0.053(5) Uani 1 1 d . . . . .
H44A H 0.8605 0.5083 0.3324 0.064 Uiso 1 1 calc R U . . .
H44B H 0.7980 0.5710 0.2710 0.064 Uiso 1 1 calc R U . . .
C45 C 0.8679(13) 0.6746(11) 0.3069(6) 0.043(4) Uani 1 1 d . . . . .
H45A H 0.8648 0.6908 0.2657 0.052 Uiso 1 1 calc R U . . .
H45B H 0.9434 0.6263 0.3232 0.052 Uiso 1 1 calc R U . . .
C46 C 0.8537(18) 0.7605(14) 0.3246(6) 0.063(6) Uani 1 1 d . . . . .
H46A H 0.9107 0.7890 0.3087 0.076 Uiso 1 1 calc R U . . .
H46B H 0.7757 0.8070 0.3114 0.076 Uiso 1 1 calc R U . . .
C47 C 0.869(2) 0.8096(15) 0.3995(8) 0.075(6) Uani 1 1 d . U . . .
H47A H 0.7953 0.8608 0.3846 0.090 Uiso 1 1 calc R U . . .
H47B H 0.9319 0.8311 0.3837 0.090 Uiso 1 1 calc R U . . .
C48 C 0.885(2) 0.7840(18) 0.4623(10) 0.098(7) Uani 1 1 d . U . . .
H48A H 0.9034 0.8322 0.4730 0.118 Uiso 1 1 calc R U . . .
H48B H 0.9491 0.7247 0.4777 0.118 Uiso 1 1 calc R U . . .
C49 C 0.805(2) 0.7255(19) 0.5447(11) 0.104(8) Uani 1 1 d D U . . .
H49A H 0.8411 0.7617 0.5592 0.125 Uiso 1 1 calc R U . . .
H49B H 0.7339 0.7284 0.5633 0.125 Uiso 1 1 calc R U . . .
C50 C 0.8774(19) 0.6350(16) 0.5640(8) 0.079(6) Uani 1 1 d D U . . .
H50A H 0.8874 0.6158 0.6053 0.095 Uiso 1 1 calc R U . . .
H50B H 0.9536 0.6317 0.5510 0.095 Uiso 1 1 calc R U . . .
C51 C 0.895(2) 0.466(2) 0.5649(11) 0.102(8) Uani 1 1 d . U . . .
H51A H 0.9138 0.4451 0.6060 0.122 Uiso 1 1 calc R U . . .
H51B H 0.9681 0.4500 0.5478 0.122 Uiso 1 1 calc R U . . .
C52 C 0.824(3) 0.419(2) 0.5506(13) 0.132(11) Uani 1 1 d . U . . .
H52A H 0.7454 0.4440 0.5610 0.158 Uiso 1 1 calc R U . . .
H52B H 0.8563 0.3521 0.5713 0.158 Uiso 1 1 calc R U . . .
C53 C 0.759(2) 0.3845(16) 0.4736(10) 0.093(8) Uani 1 1 d . . . . .
H53A H 0.6822 0.3987 0.4875 0.111 Uiso 1 1 calc R U . . .
H53B H 0.8010 0.3171 0.4895 0.111 Uiso 1 1 calc R U . . .
C54 C 0.7457(19) 0.4106(15) 0.4132(9) 0.078(7) Uani 1 1 d . . . . .
H54A H 0.7166 0.3671 0.4025 0.094 Uiso 1 1 calc R U . . .
H54B H 0.8228 0.4022 0.4002 0.094 Uiso 1 1 calc R U . . .
N7 N 0.893(3) 0.0982(18) 0.5609(10) 0.161(10) Uani 1 1 d . U . . .
H7C H 0.8344 0.0782 0.5731 0.241 Uiso 1 1 d R U . . .
H7D H 0.9022 0.1354 0.5802 0.241 Uiso 1 1 d R U . . .
H7E H 0.9591 0.0486 0.5664 0.241 Uiso 1 1 d R U . . .
N8 N 0.8426(16) 0.1951(11) 0.6656(7) 0.080(6) Uani 1 1 d . . . . .
H8C H 0.9026 0.2121 0.6726 0.120 Uiso 1 1 d R U . . .
H8D H 0.8330 0.1539 0.6971 0.120 Uiso 1 1 d R U . . .
H8E H 0.7775 0.2460 0.6547 0.120 Uiso 1 1 d R U . . .
N9 N 0.3895(17) 0.3663(14) 0.3737(8) 0.109(7) Uani 1 1 d . U . . .
H9C H 0.3495 0.3298 0.3700 0.164 Uiso 1 1 d R U . . .
H9D H 0.3908 0.4055 0.3395 0.164 Uiso 1 1 d R U . . .
H9E H 0.4627 0.3302 0.3888 0.164 Uiso 1 1 d R U . . .
N10 N 0.281(2) 0.2271(14) 0.3304(9) 0.122(8) Uani 1 1 d . U . . .
H10C H 0.2169 0.2283 0.3478 0.182 Uiso 1 1 d R U . . .
H10D H 0.2611 0.2604 0.2936 0.182 Uiso 1 1 d R U . . .
H10E H 0.3246 0.1675 0.3336 0.182 Uiso 1 1 d R U . . .
N11 N 0.288(2) 0.0222(14) 0.4061(9) 0.133(10) Uani 1 1 d . . . . .
H11C H 0.3349 0.0015 0.3816 0.199 Uiso 1 1 d R U . . .
H11D H 0.2460 0.0833 0.3903 0.199 Uiso 1 1 d R U . . .
H11E H 0.3303 0.0141 0.4377 0.199 Uiso 1 1 d R U . . .
N12 N 0.538(3) 0.104(2) 0.3956(14) 0.207(14) Uani 1 1 d . U . . .
H12C H 0.4857 0.0766 0.3931 0.311 Uiso 1 1 d R U . . .
H12D H 0.6089 0.0667 0.3910 0.311 Uiso 1 1 d R U . . .
H12E H 0.5403 0.1118 0.4297 0.311 Uiso 1 1 d R U . . .
N13 N 0.816(3) 0.028(2) 0.4534(12) 0.188(13) Uani 1 1 d . U . . .
H13C H 0.8583 0.0153 0.4255 0.282 Uiso 1 1 d R U . . .
H13D H 0.8108 0.0853 0.4547 0.282 Uiso 1 1 d R U . . .
H13E H 0.8508 -0.0149 0.4866 0.282 Uiso 1 1 d R U . . .
N14 N 0.9790(17) 0.1594(13) 0.4183(8) 0.095(6) Uani 1 1 d . . . . .
H14C H 1.0405 0.1293 0.4029 0.142 Uiso 1 1 d R U . . .
H14D H 0.9373 0.2144 0.3927 0.142 Uiso 1 1 d R U . . .
H14E H 1.0042 0.1698 0.4488 0.142 Uiso 1 1 d R U . . .
N15 N 0.9647(12) 0.3223(10) 0.3044(6) 0.062(4) Uani 1 1 d . . . . .
H15C H 1.0107 0.2994 0.2802 0.093 Uiso 1 1 d R U . . .
H15D H 0.8907 0.3492 0.2884 0.093 Uiso 1 1 d R U . . .
H15E H 0.9878 0.3652 0.3130 0.093 Uiso 1 1 d R U . . .


_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
Ge1 Ge2 2.511(2) . ?
Ge1 Co 2.511(2) . ?
Ge1 Ge5 2.538(2) . ?
Ge1 Ge6 2.593(2) . ?
Ge2 Co 2.503(2) . ?
Ge2 Ge3 2.536(2) . ?
Ge2 Ge7 2.605(2) . ?
Ge3 Co 2.494(2) . ?
Ge3 Ge4 2.518(2) . ?
Ge3 Ge8 2.611(2) . ?
Ge4 Co 2.501(2) . ?
Ge4 Ge5 2.523(2) . ?
Ge4 Ge9 2.621(2) . ?
Ge5 Co 2.512(2) . ?
Ge5 Ge10 2.583(2) . ?
Ge6 Co 2.509(2) . ?
Ge6 Ge7 2.513(2) . ?
Ge6 Ge10 2.516(2) . ?
Ge7 Co 2.516(2) . ?
Ge7 Ge8 2.520(2) . ?
Ge8 Co 2.512(2) . ?
Ge8 Ge9 2.523(2) . ?
Ge9 Ge10 2.501(2) . ?
Ge9 Co 2.507(2) . ?
Ge10 Co 2.512(2) . ?
K1 O2 2.696(10) . ?
K1 O3 2.730(10) . ?
K1 O6 2.738(10) . ?
K1 O1 2.756(9) . ?
K1 O4 2.784(9) . ?
K1 O5 2.790(9) . ?
K1 N1 2.902(11) . ?
K1 N2 2.937(12) . ?
K1 C3 3.323(16) . ?
K1 C10 3.356(15) . ?
K1 C15 3.415(14) . ?
N1 C12 1.458(18) . ?
N1 C1 1.475(17) . ?
N1 C13 1.484(15) . ?
N2 C6 1.468(18) . ?
N2 C18 1.485(17) . ?
N2 C7 1.489(18) . ?
O1 C3 1.436(17) . ?
O1 C2 1.446(16) . ?
O2 C5 1.443(17) . ?
O2 C4 1.446(16) . ?
O3 C8 1.412(19) . ?
O3 C9 1.426(16) . ?
O4 C11 1.423(17) . ?
O4 C10 1.462(14) . ?
O5 C14 1.417(17) . ?
O5 C15 1.452(16) . ?
O6 C17 1.420(16) . ?
O6 C16 1.437(17) . ?
C1 C2 1.518(17) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.51(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.52(2) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.50(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.50(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.513(19) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.504(19) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.50(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.53(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
K2 O10 2.768(9) . ?
K2 O7 2.799(10) . ?
K2 O11 2.821(9) . ?
K2 O12 2.839(10) . ?
K2 O9 2.875(10) . ?
K2 O8 2.901(9) . ?
K2 N3 2.965(13) . ?
K2 N4 2.967(13) . ?
N3 C30 1.471(18) . ?
N3 C19 1.49(2) . ?
N3 C31 1.491(17) . ?
N4 C25 1.44(2) . ?
N4 C24 1.50(2) . ?
N4 C36 1.51(2) . ?
O7 C20 1.405(17) . ?
O7 C21 1.457(17) . ?
O8 C22 1.372(19) . ?
O8 C23 1.400(18) . ?
O9 C26 1.428(17) . ?
O9 C27 1.452(17) . ?
O10 C29 1.421(17) . ?
O10 C28 1.435(16) . ?
O11 C33 1.402(17) . ?
O11 C32 1.421(17) . ?
O12 C35 1.407(19) . ?
O12 C34 1.457(15) . ?
C19 C20 1.52(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.48(2) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.46(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.56(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.50(2) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.53(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.507(19) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.50(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.52(2) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
K3 O15 2.800(11) . ?
K3 O17 2.812(17) . ?
K3 O16 2.832(11) . ?
K3 O14 2.862(14) . ?
K3 O13 2.87(2) . ?
K3 O18 2.904(16) . ?
K3 N6 3.023(15) . ?
K3 N5 3.132(19) . ?
N5 C37 1.35(3) . ?
N5 C49 1.40(3) . ?
N5 C48 1.61(3) . ?
N6 C43 1.43(2) . ?
N6 C54 1.46(2) . ?
N6 C42 1.48(2) . ?
O13 C39 1.41(3) . ?
O13 C38 1.44(2) . ?
O14 C41 1.36(2) . ?
O14 C40 1.46(2) . ?
O15 C44 1.416(19) . ?
O15 C45 1.445(16) . ?
O16 C46 1.391(18) . ?
O16 C47 1.45(2) . ?
O17 C51 1.41(3) . ?
O17 C50 1.59(2) . ?
O18 C53 1.40(2) . ?
O18 C52 1.46(3) . ?
C37 C38 1.54(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.41(3) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.47(2) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.51(2) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.54(2) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.51(3) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.37(2) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.45(3) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.45(3) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
N7 H7C 0.9100 . ?
N7 H7D 0.9100 . ?
N7 H7E 0.9100 . ?
N8 H8C 0.9100 . ?
N8 H8D 0.9100 . ?
N8 H8E 0.9100 . ?
N9 H9C 0.9100 . ?
N9 H9D 0.9100 . ?
N9 H9E 0.9100 . ?
N10 H10C 0.9100 . ?
N10 H10D 0.9100 . ?
N10 H10E 0.9100 . ?
N11 H11C 0.9100 . ?
N11 H11D 0.9100 . ?
N11 H11E 0.9100 . ?
N12 H12C 0.9100 . ?
N12 H12D 0.9100 . ?
N12 H12E 0.9100 . ?
N13 H13C 0.9100 . ?
N13 H13D 0.9100 . ?
N13 H13E 0.9100 . ?
N14 H14C 0.9099 . ?
N14 H14D 0.9100 . ?
N14 H14E 0.9100 . ?
N15 H15C 0.9100 . ?
N15 H15D 0.9100 . ?
N15 H15E 0.9100 . ?

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
Ge2 Ge1 Co 59.78(7) . . ?
Ge2 Ge1 Ge5 107.86(8) . . ?
Co Ge1 Ge5 59.67(6) . . ?
Ge2 Ge1 Ge6 90.60(7) . . ?
Co Ge1 Ge6 58.85(6) . . ?
Ge5 Ge1 Ge6 89.34(7) . . ?
Co Ge2 Ge1 60.12(7) . . ?
Co Ge2 Ge3 59.33(7) . . ?
Ge1 Ge2 Ge3 108.36(8) . . ?
Co Ge2 Ge7 58.99(6) . . ?
Ge1 Ge2 Ge7 89.43(7) . . ?
Ge3 Ge2 Ge7 90.00(7) . . ?
Co Ge3 Ge4 59.86(6) . . ?
Co Ge3 Ge2 59.67(7) . . ?
Ge4 Ge3 Ge2 107.60(8) . . ?
Co Ge3 Ge8 58.90(6) . . ?
Ge4 Ge3 Ge8 90.80(7) . . ?
Ge2 Ge3 Ge8 89.66(7) . . ?
Co Ge4 Ge3 59.59(6) . . ?
Co Ge4 Ge5 60.01(6) . . ?
Ge3 Ge4 Ge5 108.38(8) . . ?
Co Ge4 Ge9 58.55(6) . . ?
Ge3 Ge4 Ge9 89.30(7) . . ?
Ge5 Ge4 Ge9 89.85(7) . . ?
Co Ge5 Ge4 59.56(6) . . ?
Co Ge5 Ge1 59.64(6) . . ?
Ge4 Ge5 Ge1 107.78(8) . . ?
Co Ge5 Ge10 59.05(6) . . ?
Ge4 Ge5 Ge10 89.66(7) . . ?
Ge1 Ge5 Ge10 90.18(7) . . ?
Co Ge6 Ge7 60.14(6) . . ?
Co Ge6 Ge10 59.97(6) . . ?
Ge7 Ge6 Ge10 108.66(8) . . ?
Co Ge6 Ge1 58.95(6) . . ?
Ge7 Ge6 Ge1 89.66(7) . . ?
Ge10 Ge6 Ge1 90.43(7) . . ?
Ge6 Ge7 Co 59.85(6) . . ?
Ge6 Ge7 Ge8 107.45(8) . . ?
Co Ge7 Ge8 59.84(6) . . ?
Ge6 Ge7 Ge2 90.29(7) . . ?
Co Ge7 Ge2 58.48(6) . . ?
Ge8 Ge7 Ge2 90.14(7) . . ?
Co Ge8 Ge7 60.00(6) . . ?
Co Ge8 Ge9 59.73(7) . . ?
Ge7 Ge8 Ge9 107.88(8) . . ?
Co Ge8 Ge3 58.22(6) . . ?
Ge7 Ge8 Ge3 90.19(7) . . ?
Ge9 Ge8 Ge3 89.42(7) . . ?
Ge10 Ge9 Co 60.20(7) . . ?
Ge10 Ge9 Ge8 108.38(8) . . ?
Co Ge9 Ge8 59.93(6) . . ?
Ge10 Ge9 Ge4 89.26(7) . . ?
Co Ge9 Ge4 58.31(6) . . ?
Ge8 Ge9 Ge4 90.47(7) . . ?
Ge9 Ge10 Co 60.02(7) . . ?
Ge9 Ge10 Ge6 107.60(8) . . ?
Co Ge10 Ge6 59.87(6) . . ?
Ge9 Ge10 Ge5 91.22(7) . . ?
Co Ge10 Ge5 59.08(6) . . ?
Ge6 Ge10 Ge5 90.05(7) . . ?
Ge3 Co Ge4 60.55(6) . . ?
Ge3 Co Ge2 61.00(7) . . ?
Ge4 Co Ge2 109.21(8) . . ?
Ge3 Co Ge9 92.50(8) . . ?
Ge4 Co Ge9 63.13(6) . . ?
Ge2 Co Ge9 149.81(10) . . ?
Ge3 Co Ge6 150.04(9) . . ?
Ge4 Co Ge6 148.65(9) . . ?
Ge2 Co Ge6 92.78(8) . . ?
Ge9 Co Ge6 107.65(8) . . ?
Ge3 Co Ge1 109.68(8) . . ?
Ge4 Co Ge1 109.33(8) . . ?
Ge2 Co Ge1 60.10(7) . . ?
Ge9 Co Ge1 149.48(10) . . ?
Ge6 Co Ge1 62.20(7) . . ?
Ge3 Co Ge10 148.69(10) . . ?
Ge4 Co Ge10 91.82(8) . . ?
Ge2 Co Ge10 149.36(10) . . ?
Ge9 Co Ge10 59.79(7) . . ?
Ge6 Co Ge10 60.16(7) . . ?
Ge1 Co Ge10 92.45(8) . . ?
Ge3 Co Ge5 109.49(7) . . ?
Ge4 Co Ge5 60.43(7) . . ?
Ge2 Co Ge5 108.93(8) . . ?
Ge9 Co Ge5 92.75(8) . . ?
Ge6 Co Ge5 91.85(8) . . ?
Ge1 Co Ge5 60.69(7) . . ?
Ge10 Co Ge5 61.88(6) . . ?
Ge3 Co Ge8 62.88(7) . . ?
Ge4 Co Ge8 93.56(8) . . ?
Ge2 Co Ge8 92.72(8) . . ?
Ge9 Co Ge8 60.34(7) . . ?
Ge6 Co Ge8 107.83(7) . . ?
Ge1 Co Ge8 148.65(9) . . ?
Ge10 Co Ge8 108.39(8) . . ?
Ge5 Co Ge8 150.12(10) . . ?
Ge3 Co Ge7 93.04(8) . . ?
Ge4 Co Ge7 150.31(10) . . ?
Ge2 Co Ge7 62.53(6) . . ?
Ge9 Co Ge7 108.51(8) . . ?
Ge6 Co Ge7 60.01(6) . . ?
Ge1 Co Ge7 91.46(8) . . ?
Ge10 Co Ge7 108.70(8) . . ?
Ge5 Co Ge7 148.43(10) . . ?
Ge8 Co Ge7 60.16(7) . . ?
O2 K1 O3 100.3(3) . . ?
O2 K1 O6 97.4(3) . . ?
O3 K1 O6 101.2(3) . . ?
O2 K1 O1 62.7(3) . . ?
O3 K1 O1 100.8(3) . . ?
O6 K1 O1 152.7(3) . . ?
O2 K1 O4 156.1(3) . . ?
O3 K1 O4 62.2(3) . . ?
O6 K1 O4 101.9(3) . . ?
O1 K1 O4 102.5(3) . . ?
O2 K1 O5 98.9(3) . . ?
O3 K1 O5 156.0(3) . . ?
O6 K1 O5 61.9(3) . . ?
O1 K1 O5 100.8(3) . . ?
O4 K1 O5 102.6(3) . . ?
O2 K1 N1 118.2(3) . . ?
O3 K1 N1 117.6(3) . . ?
O6 K1 N1 118.4(3) . . ?
O1 K1 N1 63.5(3) . . ?
O4 K1 N1 63.8(3) . . ?
O5 K1 N1 64.1(3) . . ?
O2 K1 N2 62.0(3) . . ?
O3 K1 N2 61.4(3) . . ?
O6 K1 N2 62.5(3) . . ?
O1 K1 N2 116.0(3) . . ?
O4 K1 N2 115.6(3) . . ?
O5 K1 N2 117.0(3) . . ?
N1 K1 N2 178.9(3) . . ?
O2 K1 C3 45.5(3) . . ?
O3 K1 C3 118.3(3) . . ?
O6 K1 C3 127.6(3) . . ?
O1 K1 C3 25.2(3) . . ?
O4 K1 C3 125.8(3) . . ?
O5 K1 C3 85.5(3) . . ?
N1 K1 C3 73.1(3) . . ?
N2 K1 C3 106.9(4) . . ?
O2 K1 C10 130.7(3) . . ?
O3 K1 C10 44.5(3) . . ?
O6 K1 C10 119.3(3) . . ?
O1 K1 C10 87.8(3) . . ?
O4 K1 C10 25.4(3) . . ?
O5 K1 C10 126.2(3) . . ?
N1 K1 C10 73.6(3) . . ?
N2 K1 C10 105.4(4) . . ?
C3 K1 C10 113.0(4) . . ?
O2 K1 C15 114.0(3) . . ?
O3 K1 C15 131.8(3) . . ?
O6 K1 C15 43.8(3) . . ?
O1 K1 C15 124.4(3) . . ?
O4 K1 C15 89.8(3) . . ?
O5 K1 C15 24.5(3) . . ?
N1 K1 C15 75.2(3) . . ?
N2 K1 C15 105.8(3) . . ?
C3 K1 C15 109.9(4) . . ?
C10 K1 C15 115.2(3) . . ?
C12 N1 C1 110.6(11) . . ?
C12 N1 C13 109.5(10) . . ?
C1 N1 C13 110.3(11) . . ?
C12 N1 K1 109.0(8) . . ?
C1 N1 K1 109.6(8) . . ?
C13 N1 K1 107.7(8) . . ?
C6 N2 C18 111.2(12) . . ?
C6 N2 C7 111.0(10) . . ?
C18 N2 C7 110.1(12) . . ?
C6 N2 K1 108.0(9) . . ?
C18 N2 K1 106.9(8) . . ?
C7 N2 K1 109.4(9) . . ?
C3 O1 C2 113.4(11) . . ?
C3 O1 K1 100.1(8) . . ?
C2 O1 K1 115.6(6) . . ?
C5 O2 C4 111.3(11) . . ?
C5 O2 K1 119.8(9) . . ?
C4 O2 K1 115.5(8) . . ?
C8 O3 C9 111.8(12) . . ?
C8 O3 K1 120.9(9) . . ?
C9 O3 K1 115.7(7) . . ?
C11 O4 C10 113.1(10) . . ?
C11 O4 K1 114.7(8) . . ?
C10 O4 K1 99.7(7) . . ?
C14 O5 C15 114.9(10) . . ?
C14 O5 K1 113.9(7) . . ?
C15 O5 K1 102.6(8) . . ?
C17 O6 C16 112.0(11) . . ?
C17 O6 K1 119.2(7) . . ?
C16 O6 K1 116.5(9) . . ?
N1 C1 C2 113.4(12) . . ?
N1 C1 H1A 108.9 . . ?
C2 C1 H1A 108.9 . . ?
N1 C1 H1B 108.9 . . ?
C2 C1 H1B 108.9 . . ?
H1A C1 H1B 107.7 . . ?
O1 C2 C1 112.5(11) . . ?
O1 C2 H2A 109.1 . . ?
C1 C2 H2A 109.1 . . ?
O1 C2 H2B 109.1 . . ?
C1 C2 H2B 109.1 . . ?
H2A C2 H2B 107.8 . . ?
O1 C3 C4 107.8(12) . . ?
O1 C3 K1 54.7(6) . . ?
C4 C3 K1 86.6(8) . . ?
O1 C3 H3A 110.2 . . ?
C4 C3 H3A 110.2 . . ?
K1 C3 H3A 71.6 . . ?
O1 C3 H3B 110.2 . . ?
C4 C3 H3B 110.2 . . ?
K1 C3 H3B 161.3 . . ?
H3A C3 H3B 108.5 . . ?
O2 C4 C3 108.8(10) . . ?
O2 C4 H4A 109.9 . . ?
C3 C4 H4A 109.9 . . ?
O2 C4 H4B 109.9 . . ?
C3 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
O2 C5 C6 106.8(12) . . ?
O2 C5 H5A 110.4 . . ?
C6 C5 H5A 110.4 . . ?
O2 C5 H5B 110.4 . . ?
C6 C5 H5B 110.4 . . ?
H5A C5 H5B 108.6 . . ?
N2 C6 C5 114.3(13) . . ?
N2 C6 H6A 108.7 . . ?
C5 C6 H6A 108.7 . . ?
N2 C6 H6B 108.7 . . ?
C5 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
N2 C7 C8 114.2(12) . . ?
N2 C7 H7A 108.7 . . ?
C8 C7 H7A 108.7 . . ?
N2 C7 H7B 108.7 . . ?
C8 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
O3 C8 C7 110.0(14) . . ?
O3 C8 H8A 109.7 . . ?
C7 C8 H8A 109.7 . . ?
O3 C8 H8B 109.7 . . ?
C7 C8 H8B 109.7 . . ?
H8A C8 H8B 108.2 . . ?
O3 C9 C10 108.8(11) . . ?
O3 C9 H9A 109.9 . . ?
C10 C9 H9A 109.9 . . ?
O3 C9 H9B 109.9 . . ?
C10 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
O4 C10 C9 107.0(11) . . ?
O4 C10 K1 54.8(6) . . ?
C9 C10 K1 86.3(8) . . ?
O4 C10 H10A 110.3 . . ?
C9 C10 H10A 110.3 . . ?
K1 C10 H10A 71.4 . . ?
O4 C10 H10B 110.3 . . ?
C9 C10 H10B 110.3 . . ?
K1 C10 H10B 161.4 . . ?
H10A C10 H10B 108.6 . . ?
O4 C11 C12 114.2(11) . . ?
O4 C11 H11A 108.7 . . ?
C12 C11 H11A 108.7 . . ?
O4 C11 H11B 108.7 . . ?
C12 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
N1 C12 C11 115.2(12) . . ?
N1 C12 H12A 108.5 . . ?
C11 C12 H12A 108.5 . . ?
N1 C12 H12B 108.5 . . ?
C11 C12 H12B 108.5 . . ?
H12A C12 H12B 107.5 . . ?
N1 C13 C14 113.9(10) . . ?
N1 C13 H13A 108.8 . . ?
C14 C13 H13A 108.8 . . ?
N1 C13 H13B 108.8 . . ?
C14 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
O5 C14 C13 114.7(12) . . ?
O5 C14 H14A 108.6 . . ?
C13 C14 H14A 108.6 . . ?
O5 C14 H14B 108.6 . . ?
C13 C14 H14B 108.6 . . ?
H14A C14 H14B 107.6 . . ?
O5 C15 C16 107.9(10) . . ?
O5 C15 K1 52.9(6) . . ?
C16 C15 K1 85.3(7) . . ?
O5 C15 H15A 110.1 . . ?
C16 C15 H15A 110.1 . . ?
K1 C15 H15A 74.6 . . ?
O5 C15 H15B 110.1 . . ?
C16 C15 H15B 110.1 . . ?
K1 C15 H15B 161.0 . . ?
H15A C15 H15B 108.4 . . ?
O6 C16 C15 108.6(12) . . ?
O6 C16 H16A 110.0 . . ?
C15 C16 H16A 110.0 . . ?
O6 C16 H16B 110.0 . . ?
C15 C16 H16B 110.0 . . ?
H16A C16 H16B 108.4 . . ?
O6 C17 C18 108.7(12) . . ?
O6 C17 H17A 110.0 . . ?
C18 C17 H17A 110.0 . . ?
O6 C17 H17B 110.0 . . ?
C18 C17 H17B 110.0 . . ?
H17A C17 H17B 108.3 . . ?
N2 C18 C17 113.9(13) . . ?
N2 C18 H18A 108.8 . . ?
C17 C18 H18A 108.8 . . ?
N2 C18 H18B 108.8 . . ?
C17 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
O10 K2 O7 98.2(3) . . ?
O10 K2 O11 93.4(3) . . ?
O7 K2 O11 102.9(3) . . ?
O10 K2 O12 133.7(3) . . ?
O7 K2 O12 123.3(3) . . ?
O11 K2 O12 60.4(3) . . ?
O10 K2 O9 59.6(3) . . ?
O7 K2 O9 139.0(3) . . ?
O11 K2 O9 111.8(3) . . ?
O12 K2 O9 93.4(3) . . ?
O10 K2 O8 116.9(3) . . ?
O7 K2 O8 59.4(3) . . ?
O11 K2 O8 145.7(3) . . ?
O12 K2 O8 102.7(3) . . ?
O9 K2 O8 98.0(3) . . ?
O10 K2 N3 62.2(3) . . ?
O7 K2 N3 60.4(3) . . ?
O11 K2 N3 60.0(3) . . ?
O12 K2 N3 118.7(3) . . ?
O9 K2 N3 120.5(3) . . ?
O8 K2 N3 118.7(3) . . ?
O10 K2 N4 117.8(3) . . ?
O7 K2 N4 119.2(3) . . ?
O11 K2 N4 120.4(3) . . ?
O12 K2 N4 61.5(3) . . ?
O9 K2 N4 59.7(3) . . ?
O8 K2 N4 60.9(3) . . ?
N3 K2 N4 179.6(4) . . ?
C30 N3 C19 110.4(13) . . ?
C30 N3 C31 110.0(11) . . ?
C19 N3 C31 108.9(12) . . ?
C30 N3 K2 105.9(9) . . ?
C19 N3 K2 109.3(8) . . ?
C31 N3 K2 112.4(9) . . ?
C25 N4 C24 112.1(15) . . ?
C25 N4 C36 107.2(15) . . ?
C24 N4 C36 108.9(11) . . ?
C25 N4 K2 111.1(10) . . ?
C24 N4 K2 109.6(10) . . ?
C36 N4 K2 107.9(9) . . ?
C20 O7 C21 111.6(11) . . ?
C20 O7 K2 122.2(8) . . ?
C21 O7 K2 117.9(9) . . ?
C22 O8 C23 111.4(11) . . ?
C22 O8 K2 112.4(8) . . ?
C23 O8 K2 114.0(8) . . ?
C26 O9 C27 109.2(11) . . ?
C26 O9 K2 119.1(8) . . ?
C27 O9 K2 116.5(8) . . ?
C29 O10 C28 108.5(11) . . ?
C29 O10 K2 118.2(8) . . ?
C28 O10 K2 117.3(8) . . ?
C33 O11 C32 111.1(11) . . ?
C33 O11 K2 116.6(8) . . ?
C32 O11 K2 117.6(8) . . ?
C35 O12 C34 110.1(11) . . ?
C35 O12 K2 117.8(8) . . ?
C34 O12 K2 112.1(8) . . ?
N3 C19 C20 114.3(13) . . ?
N3 C19 H19A 108.7 . . ?
C20 C19 H19A 108.7 . . ?
N3 C19 H19B 108.7 . . ?
C20 C19 H19B 108.7 . . ?
H19A C19 H19B 107.6 . . ?
O7 C20 C19 109.3(11) . . ?
O7 C20 H20A 109.8 . . ?
C19 C20 H20A 109.8 . . ?
O7 C20 H20B 109.8 . . ?
C19 C20 H20B 109.8 . . ?
H20A C20 H20B 108.3 . . ?
O7 C21 C22 109.1(12) . . ?
O7 C21 H21A 109.9 . . ?
C22 C21 H21A 109.9 . . ?
O7 C21 H21B 109.9 . . ?
C22 C21 H21B 109.9 . . ?
H21A C21 H21B 108.3 . . ?
O8 C22 C21 112.2(12) . . ?
O8 C22 H22A 109.2 . . ?
C21 C22 H22A 109.2 . . ?
O8 C22 H22B 109.2 . . ?
C21 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
O8 C23 C24 112.3(12) . . ?
O8 C23 H23A 109.2 . . ?
C24 C23 H23A 109.2 . . ?
O8 C23 H23B 109.2 . . ?
C24 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C23 C24 N4 114.1(14) . . ?
C23 C24 H24A 108.7 . . ?
N4 C24 H24A 108.7 . . ?
C23 C24 H24B 108.7 . . ?
N4 C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?
N4 C25 C26 114.2(16) . . ?
N4 C25 H25A 108.7 . . ?
C26 C25 H25A 108.7 . . ?
N4 C25 H25B 108.7 . . ?
C26 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
O9 C26 C25 105.8(13) . . ?
O9 C26 H26A 110.6 . . ?
C25 C26 H26A 110.6 . . ?
O9 C26 H26B 110.6 . . ?
C25 C26 H26B 110.6 . . ?
H26A C26 H26B 108.7 . . ?
O9 C27 C28 107.7(12) . . ?
O9 C27 H27A 110.2 . . ?
C28 C27 H27A 110.2 . . ?
O9 C27 H27B 110.2 . . ?
C28 C27 H27B 110.2 . . ?
H27A C27 H27B 108.5 . . ?
O10 C28 C27 110.8(11) . . ?
O10 C28 H28A 109.5 . . ?
C27 C28 H28A 109.5 . . ?
O10 C28 H28B 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 108.1 . . ?
O10 C29 C30 108.7(11) . . ?
O10 C29 H29A 109.9 . . ?
C30 C29 H29A 109.9 . . ?
O10 C29 H29B 109.9 . . ?
C30 C29 H29B 109.9 . . ?
H29A C29 H29B 108.3 . . ?
N3 C30 C29 113.9(13) . . ?
N3 C30 H30A 108.8 . . ?
C29 C30 H30A 108.8 . . ?
N3 C30 H30B 108.8 . . ?
C29 C30 H30B 108.8 . . ?
H30A C30 H30B 107.7 . . ?
N3 C31 C32 111.6(11) . . ?
N3 C31 H31A 109.3 . . ?
C32 C31 H31A 109.3 . . ?
N3 C31 H31B 109.3 . . ?
C32 C31 H31B 109.3 . . ?
H31A C31 H31B 108.0 . . ?
O11 C32 C31 109.8(12) . . ?
O11 C32 H32A 109.7 . . ?
C31 C32 H32A 109.7 . . ?
O11 C32 H32B 109.7 . . ?
C31 C32 H32B 109.7 . . ?
H32A C32 H32B 108.2 . . ?
O11 C33 C34 112.1(13) . . ?
O11 C33 H33A 109.2 . . ?
C34 C33 H33A 109.2 . . ?
O11 C33 H33B 109.2 . . ?
C34 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
O12 C34 C33 107.7(11) . . ?
O12 C34 H34A 110.2 . . ?
C33 C34 H34A 110.2 . . ?
O12 C34 H34B 110.2 . . ?
C33 C34 H34B 110.2 . . ?
H34A C34 H34B 108.5 . . ?
O12 C35 C36 111.4(13) . . ?
O12 C35 H35A 109.3 . . ?
C36 C35 H35A 109.3 . . ?
O12 C35 H35B 109.3 . . ?
C36 C35 H35B 109.3 . . ?
H35A C35 H35B 108.0 . . ?
N4 C36 C35 112.2(12) . . ?
N4 C36 H36A 109.2 . . ?
C35 C36 H36A 109.2 . . ?
N4 C36 H36B 109.2 . . ?
C35 C36 H36B 109.2 . . ?
H36A C36 H36B 107.9 . . ?
O15 K3 O17 141.6(5) . . ?
O15 K3 O16 60.0(3) . . ?
O17 K3 O16 99.7(4) . . ?
O15 K3 O14 96.8(4) . . ?
O17 K3 O14 117.1(4) . . ?
O16 K3 O14 137.4(5) . . ?
O15 K3 O13 116.4(4) . . ?
O17 K3 O13 97.0(5) . . ?
O16 K3 O13 96.8(5) . . ?
O14 K3 O13 59.8(4) . . ?
O15 K3 O18 100.6(4) . . ?
O17 K3 O18 60.7(5) . . ?
O16 K3 O18 122.0(5) . . ?
O14 K3 O18 95.7(4) . . ?
O13 K3 O18 136.6(4) . . ?
O15 K3 N6 60.6(3) . . ?
O17 K3 N6 120.0(5) . . ?
O16 K3 N6 119.4(4) . . ?
O14 K3 N6 60.5(4) . . ?
O13 K3 N6 119.0(4) . . ?
O18 K3 N6 60.2(4) . . ?
O15 K3 N5 120.2(4) . . ?
O17 K3 N5 62.7(5) . . ?
O16 K3 N5 62.6(4) . . ?
O14 K3 N5 114.9(5) . . ?
O13 K3 N5 56.1(5) . . ?
O18 K3 N5 123.1(5) . . ?
N6 K3 N5 175.2(5) . . ?
C37 N5 C49 116(2) . . ?
C37 N5 C48 116.9(19) . . ?
C49 N5 C48 104.2(19) . . ?
C37 N5 K3 112.0(13) . . ?
C49 N5 K3 105.4(14) . . ?
C48 N5 K3 101.0(13) . . ?
C43 N6 C54 112.9(17) . . ?
C43 N6 C42 107.9(12) . . ?
C54 N6 C42 111.7(13) . . ?
C43 N6 K3 107.8(8) . . ?
C54 N6 K3 107.0(10) . . ?
C42 N6 K3 109.5(11) . . ?
C39 O13 C38 107.7(19) . . ?
C39 O13 K3 110.7(15) . . ?
C38 O13 K3 120.5(15) . . ?
C41 O14 C40 113.5(16) . . ?
C41 O14 K3 115.4(12) . . ?
C40 O14 K3 114.3(10) . . ?
C44 O15 C45 109.9(12) . . ?
C44 O15 K3 116.2(9) . . ?
C45 O15 K3 115.7(8) . . ?
C46 O16 C47 106.8(14) . . ?
C46 O16 K3 114.6(8) . . ?
C47 O16 K3 116.9(11) . . ?
C51 O17 C50 124.3(18) . . ?
C51 O17 K3 114.6(15) . . ?
C50 O17 K3 113.5(11) . . ?
C53 O18 C52 112.7(17) . . ?
C53 O18 K3 114.4(12) . . ?
C52 O18 K3 106.7(16) . . ?
N5 C37 C38 112(2) . . ?
N5 C37 H37A 109.3 . . ?
C38 C37 H37A 109.3 . . ?
N5 C37 H37B 109.3 . . ?
C38 C37 H37B 109.3 . . ?
H37A C37 H37B 107.9 . . ?
O13 C38 C37 105.9(19) . . ?
O13 C38 H38A 110.6 . . ?
C37 C38 H38A 110.6 . . ?
O13 C38 H38B 110.6 . . ?
C37 C38 H38B 110.6 . . ?
H38A C38 H38B 108.7 . . ?
O13 C39 C40 113(2) . . ?
O13 C39 H39A 109.0 . . ?
C40 C39 H39A 109.0 . . ?
O13 C39 H39B 109.0 . . ?
C40 C39 H39B 109.0 . . ?
H39A C39 H39B 107.8 . . ?
C39 C40 O14 109(2) . . ?
C39 C40 H40A 110.0 . . ?
O14 C40 H40A 110.0 . . ?
C39 C40 H40B 110.0 . . ?
O14 C40 H40B 110.0 . . ?
H40A C40 H40B 108.3 . . ?
O14 C41 C42 115.0(16) . . ?
O14 C41 H41A 108.5 . . ?
C42 C41 H41A 108.5 . . ?
O14 C41 H41B 108.5 . . ?
C42 C41 H41B 108.5 . . ?
H41A C41 H41B 107.5 . . ?
C41 C42 N6 115.6(12) . . ?
C41 C42 H42A 108.4 . . ?
N6 C42 H42A 108.4 . . ?
C41 C42 H42B 108.4 . . ?
N6 C42 H42B 108.4 . . ?
H42A C42 H42B 107.4 . . ?
N6 C43 C44 116.2(12) . . ?
N6 C43 H43A 108.2 . . ?
C44 C43 H43A 108.2 . . ?
N6 C43 H43B 108.2 . . ?
C44 C43 H43B 108.2 . . ?
H43A C43 H43B 107.4 . . ?
O15 C44 C43 108.1(14) . . ?
O15 C44 H44A 110.1 . . ?
C43 C44 H44A 110.1 . . ?
O15 C44 H44B 110.1 . . ?
C43 C44 H44B 110.1 . . ?
H44A C44 H44B 108.4 . . ?
O15 C45 C46 109.1(13) . . ?
O15 C45 H45A 109.9 . . ?
C46 C45 H45A 109.9 . . ?
O15 C45 H45B 109.9 . . ?
C46 C45 H45B 109.9 . . ?
H45A C45 H45B 108.3 . . ?
O16 C46 C45 106.5(14) . . ?
O16 C46 H46A 110.4 . . ?
C45 C46 H46A 110.4 . . ?
O16 C46 H46B 110.4 . . ?
C45 C46 H46B 110.4 . . ?
H46A C46 H46B 108.6 . . ?
O16 C47 C48 110.6(17) . . ?
O16 C47 H47A 109.5 . . ?
C48 C47 H47A 109.5 . . ?
O16 C47 H47B 109.5 . . ?
C48 C47 H47B 109.5 . . ?
H47A C47 H47B 108.1 . . ?
C47 C48 N5 110.6(18) . . ?
C47 C48 H48A 109.5 . . ?
N5 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
N5 C48 H48B 109.5 . . ?
H48A C48 H48B 108.1 . . ?
C50 C49 N5 124(3) . . ?
C50 C49 H49A 106.4 . . ?
N5 C49 H49A 106.4 . . ?
C50 C49 H49B 106.4 . . ?
N5 C49 H49B 106.4 . . ?
H49A C49 H49B 106.5 . . ?
C49 C50 O17 115.9(18) . . ?
C49 C50 H50A 108.3 . . ?
O17 C50 H50A 108.3 . . ?
C49 C50 H50B 108.3 . . ?
O17 C50 H50B 108.3 . . ?
H50A C50 H50B 107.4 . . ?
O17 C51 C52 110(2) . . ?
O17 C51 H51A 109.6 . . ?
C52 C51 H51A 109.6 . . ?
O17 C51 H51B 109.6 . . ?
C52 C51 H51B 109.6 . . ?
H51A C51 H51B 108.1 . . ?
C51 C52 O18 109(2) . . ?
C51 C52 H52A 109.9 . . ?
O18 C52 H52A 109.9 . . ?
C51 C52 H52B 109.9 . . ?
O18 C52 H52B 109.9 . . ?
H52A C52 H52B 108.3 . . ?
O18 C53 C54 109.6(15) . . ?
O18 C53 H53A 109.7 . . ?
C54 C53 H53A 109.7 . . ?
O18 C53 H53B 109.7 . . ?
C54 C53 H53B 109.7 . . ?
H53A C53 H53B 108.2 . . ?
C53 C54 N6 117(2) . . ?
C53 C54 H54A 108.1 . . ?
N6 C54 H54A 108.1 . . ?
C53 C54 H54B 108.1 . . ?
N6 C54 H54B 108.1 . . ?
H54A C54 H54B 107.3 . . ?
H7C N7 H7D 109.5 . . ?
H7C N7 H7E 109.5 . . ?
H7D N7 H7E 109.5 . . ?
H8C N8 H8D 109.5 . . ?
H8C N8 H8E 109.5 . . ?
H8D N8 H8E 109.5 . . ?
H9C N9 H9D 109.5 . . ?
H9C N9 H9E 109.5 . . ?
H9D N9 H9E 109.5 . . ?
H10C N10 H10D 109.5 . . ?
H10C N10 H10E 109.5 . . ?
H10D N10 H10E 109.5 . . ?
H11C N11 H11D 109.5 . . ?
H11C N11 H11E 109.5 . . ?
H11D N11 H11E 109.5 . . ?
H12C N12 H12D 109.5 . . ?
H12C N12 H12E 109.5 . . ?
H12D N12 H12E 109.5 . . ?
H13C N13 H13D 109.5 . . ?
H13C N13 H13E 109.5 . . ?
H13D N13 H13E 109.5 . . ?
H14C N14 H14D 109.5 . . ?
H14C N14 H14E 109.5 . . ?
H14D N14 H14E 109.5 . . ?
H15C N15 H15D 109.5 . . ?
H15C N15 H15E 109.5 . . ?
H15D N15 H15E 109.5 . . ?

_refine_diff_density_max         1.280
_refine_diff_density_min         -1.651
_refine_diff_density_rms         0.170

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_CW-112_w
_database_code_depnum_ccdc_archive 'CCDC 2081218'
loop_
_audit_author_name
_audit_author_address
'Wilhelm Klein'
;Technische Universitaet Muenchen
Germany
;
_audit_update_record             
;
2021-04-30 deposited with the CCDC.	2021-09-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_formula_moiety         'C2 H8 N2, (C18 H36 N2 O6 K)4, Ni2 Ge17'
_chemical_formula_sum            'C37 H76 Ge8.50 K2 N5 Ni O12'
_chemical_formula_weight         1536.95

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'
Ni Ni 0.3393 1.1124 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   27.8620(5)
_cell_length_b                   16.5170(3)
_cell_length_c                   27.9490(5)
_cell_angle_alpha                90
_cell_angle_beta                 117.4600(10)
_cell_angle_gamma                90
_cell_volume                     11412.9(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    198242
_cell_measurement_theta_min      2.81
_cell_measurement_theta_max      34.54

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_F_000             6136
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    4.932
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.318
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_special_details   'STOE X-AREA 1.76'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_reflns_number            156231
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_av_R_equivalents  0.0902
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.812
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             11193
_reflns_number_gt                9267
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'STOE X-AREA 1.76'
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_reduction        'STOE X-AREA 1.76'
_computing_structure_solution    SHELXS-97
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0456P)²+327.8550P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11193
_refine_ls_number_parameters     614
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0734
_refine_ls_wR_factor_ref         0.1728
_refine_ls_wR_factor_gt          0.1600
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.112
_refine_ls_shift/su_max          0.000
_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_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
Ge1 Ge 0.45070(4) 0.01910(5) 0.24864(4) 0.0377(2) Uani 1 1 d . . . . .
Ge2 Ge 0.46196(4) 0.06941(6) 0.16310(4) 0.0396(2) Uani 1 1 d . . . . .
Ge3 Ge 0.40524(4) 0.16807(7) 0.19349(4) 0.0473(3) Uani 1 1 d . . . . .
Ge4 Ge 0.44903(4) 0.16658(6) 0.29905(4) 0.0471(3) Uani 1 1 d . . . . .
Ge5 Ge 0.51834(19) 0.27159(16) 0.2450(3) 0.1362(16) Uani 0.5 1 d . U P . .
Ge6 Ge 0.42102(4) 0.36463(7) 0.16815(4) 0.0514(3) Uani 1 1 d . . . . .
Ge7 Ge 0.51715(5) 0.36672(11) 0.17562(5) 0.0780(5) Uani 1 1 d . . . . .
Ge8 Ge 0.41894(3) 0.46448(7) 0.24169(4) 0.0460(3) Uani 1 1 d . . . . .
Ge9 Ge 0.47988(4) 0.51624(6) 0.19578(4) 0.0503(3) Uani 1 1 d . . . . .
Ni1 Ni 0.5000 0.14143(8) 0.2500 0.0270(3) Uani 1 2 d S T P . .
Ni2 Ni 0.5000 0.39661(8) 0.2500 0.0258(3) Uani 1 2 d S T P . .
K1 K 0.12733(6) 0.29926(9) 0.09318(6) 0.0263(3) Uani 1 1 d . . . . .
N1 N 0.0065(3) 0.2684(4) 0.0466(3) 0.0400(16) Uani 1 1 d . . . . .
N2 N 0.2479(2) 0.3286(4) 0.1409(3) 0.0317(14) Uani 1 1 d . . . . .
O1 O 0.0637(2) 0.2870(3) -0.0181(2) 0.0358(12) Uani 1 1 d . . . . .
O2 O 0.1773(2) 0.2941(3) 0.0246(2) 0.0342(12) Uani 1 1 d . . . . .
O3 O 0.2029(2) 0.2020(3) 0.1824(2) 0.0407(13) Uani 1 1 d . . . . .
O4 O 0.0901(2) 0.1606(3) 0.1262(2) 0.0412(14) Uani 1 1 d . . . . .
O5 O 0.0608(2) 0.4090(3) 0.1103(2) 0.0405(13) Uani 1 1 d . . . . .
O6 O 0.1717(2) 0.4476(3) 0.1466(2) 0.0334(12) Uani 1 1 d . . . . .
C1 C -0.0189(3) 0.2793(6) -0.0126(4) 0.048(2) Uani 1 1 d . . . . .
H1A H -0.0242 0.3378 -0.0208 0.057 Uiso 1 1 calc R U . . .
H1B H -0.0550 0.2534 -0.0288 0.057 Uiso 1 1 calc R U . . .
C2 C 0.0134(3) 0.2443(6) -0.0383(3) 0.045(2) Uani 1 1 d . . . . .
H2A H 0.0202 0.1860 -0.0295 0.054 Uiso 1 1 calc R U . . .
H2B H -0.0068 0.2501 -0.0780 0.054 Uiso 1 1 calc R U . . .
C3 C 0.0912(3) 0.2672(5) -0.0488(3) 0.0383(18) Uani 1 1 d . . . . .
H3A H 0.0674 0.2781 -0.0875 0.046 Uiso 1 1 calc R U . . .
H3B H 0.1007 0.2090 -0.0446 0.046 Uiso 1 1 calc R U . . .
C4 C 0.1410(3) 0.3168(5) -0.0295(3) 0.0375(18) Uani 1 1 d . . . . .
H4A H 0.1583 0.3081 -0.0531 0.045 Uiso 1 1 calc R U . . .
H4B H 0.1317 0.3750 -0.0309 0.045 Uiso 1 1 calc R U . . .
C5 C 0.2268(3) 0.3369(6) 0.0439(3) 0.0403(19) Uani 1 1 d . . . . .
H5A H 0.2202 0.3956 0.0447 0.048 Uiso 1 1 calc R U . . .
H5B H 0.2431 0.3279 0.0194 0.048 Uiso 1 1 calc R U . . .
C6 C 0.2652(3) 0.3081(6) 0.0997(4) 0.041(2) Uani 1 1 d . . . . .
H6A H 0.2689 0.2486 0.0989 0.050 Uiso 1 1 calc R U . . .
H6B H 0.3012 0.3322 0.1104 0.050 Uiso 1 1 calc R U . . .
C7 C 0.2782(3) 0.2792(5) 0.1893(3) 0.042(2) Uani 1 1 d . . . . .
H7A H 0.2781 0.3067 0.2207 0.051 Uiso 1 1 calc R U . . .
H7B H 0.3162 0.2748 0.1960 0.051 Uiso 1 1 calc R U . . .
C8 C 0.2551(4) 0.1953(5) 0.1846(3) 0.043(2) Uani 1 1 d . . . . .
H8A H 0.2519 0.1685 0.1515 0.051 Uiso 1 1 calc R U . . .
H8B H 0.2793 0.1622 0.2161 0.051 Uiso 1 1 calc R U . . .
C9 C 0.1814(4) 0.1253(6) 0.1848(4) 0.054(2) Uani 1 1 d . . . . .
H9A H 0.2052 0.0986 0.2195 0.065 Uiso 1 1 calc R U . . .
H9B H 0.1799 0.0905 0.1552 0.065 Uiso 1 1 calc R U . . .
C10 C 0.1261(4) 0.1349(6) 0.1796(4) 0.053(2) Uani 1 1 d . . . . .
H10A H 0.1135 0.0828 0.1874 0.064 Uiso 1 1 calc R U . . .
H10B H 0.1267 0.1756 0.2059 0.064 Uiso 1 1 calc R U . . .
C11 C 0.0356(4) 0.1625(6) 0.1173(4) 0.053(3) Uani 1 1 d . . . . .
H11A H 0.0318 0.2025 0.1417 0.064 Uiso 1 1 calc R U . . .
H11B H 0.0253 0.1086 0.1252 0.064 Uiso 1 1 calc R U . . .
C12 C -0.0010(4) 0.1849(6) 0.0599(4) 0.050(2) Uani 1 1 d . . . . .
H12A H 0.0056 0.1475 0.0359 0.060 Uiso 1 1 calc R U . . .
H12B H -0.0390 0.1779 0.0527 0.060 Uiso 1 1 calc R U . . .
C13 C -0.0169(4) 0.3266(6) 0.0703(4) 0.052(2) Uani 1 1 d . . . . .
H13A H -0.0091 0.3077 0.1067 0.063 Uiso 1 1 calc R U . . .
H13B H -0.0566 0.3276 0.0479 0.063 Uiso 1 1 calc R U . . .
C14 C 0.0047(3) 0.4110(6) 0.0744(4) 0.051(2) Uani 1 1 d . . . . .
H14A H -0.0014 0.4303 0.0384 0.061 Uiso 1 1 calc R U . . .
H14B H -0.0139 0.4483 0.0881 0.061 Uiso 1 1 calc R U . . .
C15 C 0.0822(4) 0.4881(5) 0.1256(4) 0.042(2) Uani 1 1 d . . . . .
H15A H 0.0603 0.5190 0.1389 0.050 Uiso 1 1 calc R U . . .
H15B H 0.0814 0.5171 0.0943 0.050 Uiso 1 1 calc R U . . .
C16 C 0.1392(4) 0.4808(5) 0.1693(4) 0.0414(19) Uani 1 1 d . . . . .
H16A H 0.1531 0.5348 0.1850 0.050 Uiso 1 1 calc R U . . .
H16B H 0.1405 0.4451 0.1983 0.050 Uiso 1 1 calc R U . . .
C17 C 0.2274(3) 0.4458(5) 0.1842(4) 0.042(2) Uani 1 1 d . . . . .
H17A H 0.2333 0.4099 0.2148 0.051 Uiso 1 1 calc R U . . .
H17B H 0.2400 0.5008 0.1984 0.051 Uiso 1 1 calc R U . . .
C18 C 0.2587(3) 0.4146(5) 0.1559(4) 0.0407(19) Uani 1 1 d . . . . .
H18A H 0.2491 0.4471 0.1230 0.049 Uiso 1 1 calc R U . . .
H18B H 0.2979 0.4219 0.1799 0.049 Uiso 1 1 calc R U . . .
K2 K 0.31548(7) 0.34906(10) 0.44468(7) 0.0360(4) Uani 1 1 d . . . . .
N3 N 0.2997(4) 0.1973(5) 0.3839(4) 0.057(2) Uani 1 1 d . . . . .
N4 N 0.3364(3) 0.4988(4) 0.5047(3) 0.0412(17) Uani 1 1 d . . . . .
O7 O 0.2165(3) 0.3228(4) 0.3550(2) 0.0597(19) Uani 1 1 d . . . . .
O8 O 0.2454(2) 0.4788(4) 0.3969(3) 0.0480(15) Uani 1 1 d . . . . .
O9 O 0.3969(3) 0.4497(4) 0.4527(3) 0.0614(19) Uani 1 1 d . . . . .
O10 O 0.3681(4) 0.3293(5) 0.3806(3) 0.071(2) Uani 1 1 d . . . . .
O11 O 0.3344(2) 0.2035(3) 0.4998(3) 0.0440(14) Uani 1 1 d . . . . .
O12 O 0.3252(2) 0.3451(3) 0.5516(2) 0.0377(13) Uani 1 1 d . . . . .
C19 C 0.2404(5) 0.1842(7) 0.3569(5) 0.067(3) Uani 1 1 d . . . . .
H19A H 0.2288 0.1736 0.3849 0.080 Uiso 1 1 calc R U . . .
H19B H 0.2324 0.1350 0.3343 0.080 Uiso 1 1 calc R U . . .
C20 C 0.2071(5) 0.2533(9) 0.3220(4) 0.074(4) Uani 1 1 d . . . . .
H20A H 0.2174 0.2644 0.2932 0.089 Uiso 1 1 calc R U . . .
H20B H 0.1682 0.2390 0.3049 0.089 Uiso 1 1 calc R U . . .
C21 C 0.1917(5) 0.3924(8) 0.3233(4) 0.070(3) Uani 1 1 d . . . . .
H21A H 0.1541 0.3797 0.2966 0.085 Uiso 1 1 calc R U . . .
H21B H 0.2118 0.4093 0.3035 0.085 Uiso 1 1 calc R U . . .
C22 C 0.1920(4) 0.4599(7) 0.3596(4) 0.060(3) Uani 1 1 d . . . . .
H22A H 0.1742 0.5084 0.3378 0.073 Uiso 1 1 calc R U . . .
H22B H 0.1715 0.4432 0.3790 0.073 Uiso 1 1 calc R U . . .
C23 C 0.2471(4) 0.5413(5) 0.4325(4) 0.050(2) Uani 1 1 d . . . . .
H23A H 0.2298 0.5225 0.4545 0.060 Uiso 1 1 calc R U . . .
H23B H 0.2270 0.5892 0.4115 0.060 Uiso 1 1 calc R U . . .
C24 C 0.3048(4) 0.5636(5) 0.4685(5) 0.052(3) Uani 1 1 d . . . . .
H24A H 0.3221 0.5795 0.4458 0.062 Uiso 1 1 calc R U . . .
H24B H 0.3057 0.6113 0.4903 0.062 Uiso 1 1 calc R U . . .
C25 C 0.3951(4) 0.5140(6) 0.5275(5) 0.056(3) Uani 1 1 d . . . . .
H25A H 0.4148 0.4703 0.5535 0.067 Uiso 1 1 calc R U . . .
H25B H 0.4037 0.5657 0.5477 0.067 Uiso 1 1 calc R U . . .
C26 C 0.4146(4) 0.5179(6) 0.4850(5) 0.064(3) Uani 1 1 d . . . . .
H26A H 0.4003 0.5672 0.4628 0.077 Uiso 1 1 calc R U . . .
H26B H 0.4546 0.5205 0.5027 0.077 Uiso 1 1 calc R U . . .
C27 C 0.4147(5) 0.4483(7) 0.4128(5) 0.067(3) Uani 1 1 d . . . . .
H27A H 0.4484 0.4162 0.4256 0.080 Uiso 1 1 calc R U . . .
H27B H 0.4222 0.5040 0.4051 0.080 Uiso 1 1 calc R U . . .
C28 C 0.3720(6) 0.4115(6) 0.3636(6) 0.073(4) Uani 1 1 d . . . . .
H28A H 0.3373 0.4409 0.3514 0.088 Uiso 1 1 calc R U . . .
H28B H 0.3823 0.4112 0.3341 0.088 Uiso 1 1 calc R U . . .
C29 C 0.3376(5) 0.2821(8) 0.3377(4) 0.070(3) Uani 1 1 d . . . . .
H29A H 0.3574 0.2761 0.3163 0.084 Uiso 1 1 calc R U . . .
H29B H 0.3040 0.3125 0.3150 0.084 Uiso 1 1 calc R U . . .
C30 C 0.3219(6) 0.2036(8) 0.3453(6) 0.079(4) Uani 1 1 d . . . . .
H30A H 0.3538 0.1676 0.3576 0.094 Uiso 1 1 calc R U . . .
H30B H 0.2944 0.1831 0.3099 0.094 Uiso 1 1 calc R U . . .
C31 C 0.3266(4) 0.1322(6) 0.4212(5) 0.066(3) Uani 1 1 d . . . . .
H31A H 0.3661 0.1369 0.4337 0.080 Uiso 1 1 calc R U . . .
H31B H 0.3146 0.0801 0.4018 0.080 Uiso 1 1 calc R U . . .
C32 C 0.3165(4) 0.1305(5) 0.4698(5) 0.059(3) Uani 1 1 d . . . . .
H32A H 0.2773 0.1233 0.4579 0.071 Uiso 1 1 calc R U . . .
H32B H 0.3359 0.0840 0.4931 0.071 Uiso 1 1 calc R U . . .
C33 C 0.3302(4) 0.2024(6) 0.5490(5) 0.056(3) Uani 1 1 d . . . . .
H33A H 0.3490 0.1540 0.5705 0.067 Uiso 1 1 calc R U . . .
H33B H 0.2917 0.1993 0.5408 0.067 Uiso 1 1 calc R U . . .
C34 C 0.3547(3) 0.2759(6) 0.5802(4) 0.048(2) Uani 1 1 d . . . . .
H34A H 0.3545 0.2728 0.6155 0.057 Uiso 1 1 calc R U . . .
H34B H 0.3927 0.2803 0.5869 0.057 Uiso 1 1 calc R U . . .
C35 C 0.3455(4) 0.4170(7) 0.5828(4) 0.058(3) Uani 1 1 d . . . . .
H35A H 0.3854 0.4184 0.5983 0.070 Uiso 1 1 calc R U . . .
H35B H 0.3361 0.4169 0.6130 0.070 Uiso 1 1 calc R U . . .
C36 C 0.3217(5) 0.4905(6) 0.5483(4) 0.057(3) Uani 1 1 d . . . . .
H36A H 0.2818 0.4880 0.5326 0.068 Uiso 1 1 calc R U . . .
H36B H 0.3341 0.5393 0.5715 0.068 Uiso 1 1 calc R U . . .
N5 N 0.0639(7) 0.2337(18) 0.2695(8) 0.083(7) Uani 0.5 1 d . . P . .
H5C H 0.0567 0.1800 0.2628 0.124 Uiso 0.5 1 d R U P . .
H5D H 0.0623 0.2583 0.2396 0.124 Uiso 0.5 1 d R U P . .
C37 C 0.0249(11) 0.2692(17) 0.2821(12) 0.067(7) Uani 0.5 1 d . U P . .
H37A H 0.0362 0.3265 0.2898 0.080 Uiso 0.5 1 calc R U P . .
H37B H 0.0322 0.2450 0.3172 0.080 Uiso 0.5 1 calc R U P . .
C38 C -0.0367(13) 0.2725(18) 0.2504(12) 0.077(7) Uani 0.5 1 d . U P . .
H38A H -0.0526 0.2178 0.2463 0.092 Uiso 0.5 1 calc R U P . .
H38B H -0.0520 0.3079 0.2686 0.092 Uiso 0.5 1 calc R U P . .
N6 N -0.0474(15) 0.306(2) 0.1971(12) 0.128(12) Uani 0.5 1 d . . P . .
H6C H -0.0182 0.3015 0.1910 0.192 Uiso 0.5 1 d R U P . .
H6D H -0.0562 0.3598 0.1961 0.192 Uiso 0.5 1 d R U P . .


_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
Ge1 Ni1 2.4336(14) . ?
Ge1 Ge2 2.6760(13) 2_655 ?
Ge1 Ge2 2.6827(13) . ?
Ge1 Ge1 2.7132(17) 2_655 ?
Ge1 Ge4 2.8251(13) . ?
Ge1 Ge3 2.8694(14) . ?
Ge2 Ni1 2.4622(11) . ?
Ge2 Ge3 2.6668(12) . ?
Ge2 Ge1 2.6760(13) 2_655 ?
Ge2 Ge4 2.7251(14) 2_655 ?
Ge3 Ni1 2.4110(9) . ?
Ge3 Ge4 2.6219(14) . ?
Ge3 Ge5 2.653(5) 2_655 ?
Ge4 Ni1 2.4218(9) . ?
Ge4 Ge5 2.526(4) 2_655 ?
Ge4 Ge2 2.7251(14) 2_655 ?
Ge5 Ge5 1.177(8) 2_655 ?
Ge5 Ni2 2.147(3) . ?
Ge5 Ni1 2.229(3) . ?
Ge5 Ge7 2.484(5) . ?
Ge5 Ge4 2.527(4) 2_655 ?
Ge5 Ge3 2.653(5) 2_655 ?
Ge5 Ge6 2.707(5) 2_655 ?
Ge6 Ni2 2.3900(9) . ?
Ge6 Ge7 2.5888(14) . ?
Ge6 Ge8 2.6567(13) . ?
Ge6 Ge5 2.707(5) 2_655 ?
Ge6 Ge9 2.8962(14) . ?
Ge7 Ni2 2.3895(10) . ?
Ge7 Ge8 2.7063(16) 2_655 ?
Ge7 Ge9 2.834(2) . ?
Ge8 Ni2 2.4345(10) . ?
Ge8 Ge9 2.6811(13) 2_655 ?
Ge8 Ge9 2.6960(15) . ?
Ge8 Ge7 2.7063(15) 2_655 ?
Ge9 Ni2 2.3940(14) . ?
Ge9 Ge8 2.6811(13) 2_655 ?
Ge9 Ge9 2.704(2) 2_655 ?
Ni1 Ge5 2.229(3) 2_655 ?
Ni1 Ge3 2.4110(9) 2_655 ?
Ni1 Ge4 2.4218(9) 2_655 ?
Ni1 Ge1 2.4335(13) 2_655 ?
Ni1 Ge2 2.4623(11) 2_655 ?
Ni2 Ge5 2.147(3) 2_655 ?
Ni2 Ge7 2.3895(10) 2_655 ?
Ni2 Ge6 2.3901(9) 2_655 ?
Ni2 Ge9 2.3940(14) 2_655 ?
Ni2 Ge8 2.4344(10) 2_655 ?
K1 O1 2.787(5) . ?
K1 O5 2.787(6) . ?
K1 O4 2.837(5) . ?
K1 O6 2.839(5) . ?
K1 O2 2.844(5) . ?
K1 O3 2.897(6) . ?
K1 N2 3.029(6) . ?
K1 N1 3.041(7) . ?
N1 C12 1.467(12) . ?
N1 C13 1.476(11) . ?
N1 C1 1.480(11) . ?
N2 C7 1.467(10) . ?
N2 C18 1.472(10) . ?
N2 C6 1.477(10) . ?
O1 C3 1.429(9) . ?
O1 C2 1.431(10) . ?
O2 C5 1.416(9) . ?
O2 C4 1.429(9) . ?
O3 C9 1.417(11) . ?
O3 C8 1.432(10) . ?
O4 C11 1.423(11) . ?
O4 C10 1.427(11) . ?
O5 C14 1.416(10) . ?
O5 C15 1.417(10) . ?
O6 C17 1.418(10) . ?
O6 C16 1.433(10) . ?
C1 C2 1.503(12) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.481(11) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.505(12) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.507(13) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.489(15) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.498(14) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.503(14) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.496(13) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.511(12) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
K2 O9 2.737(7) . ?
K2 O11 2.772(6) . ?
K2 O7 2.774(7) . ?
K2 O8 2.790(6) . ?
K2 O10 2.808(7) . ?
K2 O12 2.873(6) . ?
K2 N4 2.892(7) . ?
K2 N3 2.945(8) . ?
K2 C28 3.459(9) . ?
K2 C29 3.499(10) . ?
N3 C31 1.443(15) . ?
N3 C30 1.476(13) . ?
N3 C19 1.481(13) . ?
N4 C24 1.457(12) . ?
N4 C36 1.462(12) . ?
N4 C25 1.476(11) . ?
O7 C20 1.418(13) . ?
O7 C21 1.422(13) . ?
O8 C22 1.402(12) . ?
O8 C23 1.419(11) . ?
O9 C26 1.385(13) . ?
O9 C27 1.415(12) . ?
O10 C29 1.352(13) . ?
O10 C28 1.459(13) . ?
O11 C32 1.422(11) . ?
O11 C33 1.433(12) . ?
O12 C34 1.420(10) . ?
O12 C35 1.427(11) . ?
C19 C20 1.511(18) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.505(16) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.498(14) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.521(15) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.471(18) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.414(17) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.511(16) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.466(15) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.501(15) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
N5 C37 1.41(4) . ?
N5 H5C 0.9100 . ?
N5 H5D 0.9100 . ?
C37 C38 1.53(4) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 N6 1.49(4) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
N6 H6C 0.9100 . ?
N6 H6D 0.9100 . ?

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
Ni1 Ge1 Ge2 57.38(3) . 2_655 ?
Ni1 Ge1 Ge2 57.29(3) . . ?
Ge2 Ge1 Ge2 107.15(4) 2_655 . ?
Ni1 Ge1 Ge1 56.12(3) . 2_655 ?
Ge2 Ge1 Ge1 59.70(4) 2_655 2_655 ?
Ge2 Ge1 Ge1 59.46(4) . 2_655 ?
Ni1 Ge1 Ge4 54.22(3) . . ?
Ge2 Ge1 Ge4 59.31(3) 2_655 . ?
Ge2 Ge1 Ge4 102.30(4) . . ?
Ge1 Ge1 Ge4 103.61(3) 2_655 . ?
Ni1 Ge1 Ge3 53.32(3) . . ?
Ge2 Ge1 Ge3 102.56(4) 2_655 . ?
Ge2 Ge1 Ge3 57.29(3) . . ?
Ge1 Ge1 Ge3 101.85(3) 2_655 . ?
Ge4 Ge1 Ge3 54.82(3) . . ?
Ni1 Ge2 Ge3 55.91(3) . . ?
Ni1 Ge2 Ge1 56.35(3) . 2_655 ?
Ge3 Ge2 Ge1 108.47(4) . 2_655 ?
Ni1 Ge2 Ge1 56.26(3) . . ?
Ge3 Ge2 Ge1 64.88(4) . . ?
Ge1 Ge2 Ge1 60.84(4) 2_655 . ?
Ni1 Ge2 Ge4 55.38(3) . 2_655 ?
Ge3 Ge2 Ge4 94.79(4) . 2_655 ?
Ge1 Ge2 Ge4 63.07(4) 2_655 2_655 ?
Ge1 Ge2 Ge4 107.22(4) . 2_655 ?
Ni1 Ge3 Ge4 57.34(3) . . ?
Ni1 Ge3 Ge5 51.97(9) . 2_655 ?
Ge4 Ge3 Ge5 57.24(12) . 2_655 ?
Ni1 Ge3 Ge2 57.75(3) . . ?
Ge4 Ge3 Ge2 108.43(4) . . ?
Ge5 Ge3 Ge2 100.60(10) 2_655 . ?
Ni1 Ge3 Ge1 54.04(4) . . ?
Ge4 Ge3 Ge1 61.73(4) . . ?
Ge5 Ge3 Ge1 100.43(10) 2_655 . ?
Ge2 Ge3 Ge1 57.83(3) . . ?
Ni1 Ge4 Ge5 53.50(10) . 2_655 ?
Ni1 Ge4 Ge3 56.95(3) . . ?
Ge5 Ge4 Ge3 62.00(14) 2_655 . ?
Ni1 Ge4 Ge2 56.79(3) . 2_655 ?
Ge5 Ge4 Ge2 97.23(10) 2_655 2_655 ?
Ge3 Ge4 Ge2 108.07(4) . 2_655 ?
Ni1 Ge4 Ge1 54.61(4) . . ?
Ge5 Ge4 Ge1 104.86(11) 2_655 . ?
Ge3 Ge4 Ge1 63.45(4) . . ?
Ge2 Ge4 Ge1 57.62(3) 2_655 . ?
Ge5 Ge5 Ni2 74.09(11) 2_655 . ?
Ge5 Ge5 Ni1 74.69(10) 2_655 . ?
Ni2 Ge5 Ni1 148.8(2) . . ?
Ge5 Ge5 Ge7 119.0(5) 2_655 . ?
Ni2 Ge5 Ge7 61.61(11) . . ?
Ni1 Ge5 Ge7 137.6(3) . . ?
Ge5 Ge5 Ge4 131.5(3) 2_655 2_655 ?
Ni2 Ge5 Ge4 147.3(2) . 2_655 ?
Ni1 Ge5 Ge4 60.85(7) . 2_655 ?
Ge7 Ge5 Ge4 86.11(17) . 2_655 ?
Ge5 Ge5 Ge3 111.8(5) 2_655 2_655 ?
Ni2 Ge5 Ge3 136.2(3) . 2_655 ?
Ni1 Ge5 Ge3 58.42(9) . 2_655 ?
Ge7 Ge5 Ge3 129.16(17) . 2_655 ?
Ge4 Ge5 Ge3 60.77(7) 2_655 2_655 ?
Ge5 Ge5 Ge6 92.2(5) 2_655 2_655 ?
Ni2 Ge5 Ge6 57.62(10) . 2_655 ?
Ni1 Ge5 Ge6 123.9(2) . 2_655 ?
Ge7 Ge5 Ge6 96.84(12) . 2_655 ?
Ge4 Ge5 Ge6 127.65(18) 2_655 2_655 ?
Ge3 Ge5 Ge6 78.59(16) 2_655 2_655 ?
Ni2 Ge6 Ge7 57.20(3) . . ?
Ni2 Ge6 Ge8 57.39(3) . . ?
Ge7 Ge6 Ge8 108.67(5) . . ?
Ni2 Ge6 Ge5 49.35(9) . 2_655 ?
Ge7 Ge6 Ge5 74.97(9) . 2_655 ?
Ge8 Ge6 Ge5 83.44(11) . 2_655 ?
Ni2 Ge6 Ge9 52.81(4) . . ?
Ge7 Ge6 Ge9 61.93(5) . . ?
Ge8 Ge6 Ge9 57.90(4) . . ?
Ge5 Ge6 Ge9 102.08(9) 2_655 . ?
Ni2 Ge7 Ge5 52.24(9) . . ?
Ni2 Ge7 Ge6 57.21(3) . . ?
Ge5 Ge7 Ge6 72.27(10) . . ?
Ni2 Ge7 Ge8 56.67(3) . 2_655 ?
Ge5 Ge7 Ge8 86.79(12) . 2_655 ?
Ge6 Ge7 Ge8 109.00(5) . 2_655 ?
Ni2 Ge7 Ge9 53.74(4) . . ?
Ge5 Ge7 Ge9 105.68(9) . . ?
Ge6 Ge7 Ge9 64.37(4) . . ?
Ge8 Ge7 Ge9 57.82(4) 2_655 . ?
Ni2 Ge8 Ge6 55.79(3) . . ?
Ni2 Ge8 Ge9 55.55(3) . 2_655 ?
Ge6 Ge8 Ge9 108.11(4) . 2_655 ?
Ni2 Ge8 Ge9 55.35(4) . . ?
Ge6 Ge8 Ge9 65.51(4) . . ?
Ge9 Ge8 Ge9 60.37(5) 2_655 . ?
Ni2 Ge8 Ge7 55.09(3) . 2_655 ?
Ge6 Ge8 Ge7 92.86(5) . 2_655 ?
Ge9 Ge8 Ge7 63.49(5) 2_655 2_655 ?
Ge9 Ge8 Ge7 106.55(4) . 2_655 ?
Ni2 Ge9 Ge8 56.99(3) . 2_655 ?
Ni2 Ge9 Ge8 56.78(3) . . ?
Ge8 Ge9 Ge8 106.99(4) 2_655 . ?
Ni2 Ge9 Ge9 55.62(3) . 2_655 ?
Ge8 Ge9 Ge9 60.09(4) 2_655 2_655 ?
Ge8 Ge9 Ge9 59.54(5) . 2_655 ?
Ni2 Ge9 Ge7 53.59(4) . . ?
Ge8 Ge9 Ge7 58.69(4) 2_655 . ?
Ge8 Ge9 Ge7 100.79(4) . . ?
Ge9 Ge9 Ge7 102.84(4) 2_655 . ?
Ni2 Ge9 Ge6 52.68(3) . . ?
Ge8 Ge9 Ge6 101.18(4) 2_655 . ?
Ge8 Ge9 Ge6 56.59(3) . . ?
Ge9 Ge9 Ge6 100.96(4) 2_655 . ?
Ge7 Ge9 Ge6 53.70(4) . . ?
Ge5 Ni1 Ge5 30.6(2) . 2_655 ?
Ge5 Ni1 Ge3 69.61(13) . 2_655 ?
Ge5 Ni1 Ge3 89.79(13) 2_655 2_655 ?
Ge5 Ni1 Ge3 89.79(13) . . ?
Ge5 Ni1 Ge3 69.61(13) 2_655 . ?
Ge3 Ni1 Ge3 158.97(8) 2_655 . ?
Ge5 Ni1 Ge4 94.66(12) . . ?
Ge5 Ni1 Ge4 65.65(12) 2_655 . ?
Ge3 Ni1 Ge4 110.41(4) 2_655 . ?
Ge3 Ni1 Ge4 65.71(3) . . ?
Ge5 Ni1 Ge4 65.66(12) . 2_655 ?
Ge5 Ni1 Ge4 94.66(12) 2_655 2_655 ?
Ge3 Ni1 Ge4 65.71(3) 2_655 2_655 ?
Ge3 Ni1 Ge4 110.41(4) . 2_655 ?
Ge4 Ni1 Ge4 160.24(8) . 2_655 ?
Ge5 Ni1 Ge1 131.12(10) . 2_655 ?
Ge5 Ni1 Ge1 160.71(11) 2_655 2_655 ?
Ge3 Ni1 Ge1 72.64(4) 2_655 2_655 ?
Ge3 Ni1 Ge1 126.98(5) . 2_655 ?
Ge4 Ni1 Ge1 127.43(5) . 2_655 ?
Ge4 Ni1 Ge1 71.16(4) 2_655 2_655 ?
Ge5 Ni1 Ge1 160.71(11) . . ?
Ge5 Ni1 Ge1 131.12(10) 2_655 . ?
Ge3 Ni1 Ge1 126.98(5) 2_655 . ?
Ge3 Ni1 Ge1 72.64(4) . . ?
Ge4 Ni1 Ge1 71.16(4) . . ?
Ge4 Ni1 Ge1 127.43(5) 2_655 . ?
Ge1 Ni1 Ge1 67.76(5) 2_655 . ?
Ge5 Ni1 Ge2 114.26(16) . . ?
Ge5 Ni1 Ge2 121.40(16) 2_655 . ?
Ge3 Ni1 Ge2 125.28(4) 2_655 . ?
Ge3 Ni1 Ge2 66.34(3) . . ?
Ge4 Ni1 Ge2 122.90(4) . . ?
Ge4 Ni1 Ge2 67.82(3) 2_655 . ?
Ge1 Ni1 Ge2 66.26(4) 2_655 . ?
Ge1 Ni1 Ge2 66.45(4) . . ?
Ge5 Ni1 Ge2 121.39(16) . 2_655 ?
Ge5 Ni1 Ge2 114.26(16) 2_655 2_655 ?
Ge3 Ni1 Ge2 66.34(3) 2_655 2_655 ?
Ge3 Ni1 Ge2 125.28(4) . 2_655 ?
Ge4 Ni1 Ge2 67.82(3) . 2_655 ?
Ge4 Ni1 Ge2 122.90(4) 2_655 2_655 ?
Ge1 Ni1 Ge2 66.45(4) 2_655 2_655 ?
Ge1 Ni1 Ge2 66.26(4) . 2_655 ?
Ge2 Ni1 Ge2 122.23(7) . 2_655 ?
Ge5 Ni2 Ge5 31.8(2) 2_655 . ?
Ge5 Ni2 Ge7 66.14(16) 2_655 2_655 ?
Ge5 Ni2 Ge7 90.40(16) . 2_655 ?
Ge5 Ni2 Ge7 90.40(16) 2_655 . ?
Ge5 Ni2 Ge7 66.15(16) . . ?
Ge7 Ni2 Ge7 156.15(11) 2_655 . ?
Ge5 Ni2 Ge6 73.03(16) 2_655 . ?
Ge5 Ni2 Ge6 82.35(16) . . ?
Ge7 Ni2 Ge6 108.78(5) 2_655 . ?
Ge7 Ni2 Ge6 65.59(4) . . ?
Ge5 Ni2 Ge6 82.34(16) 2_655 2_655 ?
Ge5 Ni2 Ge6 73.02(16) . 2_655 ?
Ge7 Ni2 Ge6 65.59(4) 2_655 2_655 ?
Ge7 Ni2 Ge6 108.78(5) . 2_655 ?
Ge6 Ni2 Ge6 154.46(9) . 2_655 ?
Ge5 Ni2 Ge9 138.22(16) 2_655 2_655 ?
Ge5 Ni2 Ge9 147.31(17) . 2_655 ?
Ge7 Ni2 Ge9 72.67(6) 2_655 2_655 ?
Ge7 Ni2 Ge9 129.71(6) . 2_655 ?
Ge6 Ni2 Ge9 129.19(5) . 2_655 ?
Ge6 Ni2 Ge9 74.52(4) 2_655 2_655 ?
Ge5 Ni2 Ge9 147.31(16) 2_655 . ?
Ge5 Ni2 Ge9 138.23(16) . . ?
Ge7 Ni2 Ge9 129.70(6) 2_655 . ?
Ge7 Ni2 Ge9 72.67(6) . . ?
Ge6 Ni2 Ge9 74.52(4) . . ?
Ge6 Ni2 Ge9 129.19(5) 2_655 . ?
Ge9 Ni2 Ge9 68.76(7) 2_655 . ?
Ge5 Ni2 Ge8 132.43(12) 2_655 2_655 ?
Ge5 Ni2 Ge8 102.17(11) . 2_655 ?
Ge7 Ni2 Ge8 124.12(4) 2_655 2_655 ?
Ge7 Ni2 Ge8 68.24(4) . 2_655 ?
Ge6 Ni2 Ge8 126.67(4) . 2_655 ?
Ge6 Ni2 Ge8 66.82(3) 2_655 2_655 ?
Ge9 Ni2 Ge8 67.88(5) 2_655 2_655 ?
Ge9 Ni2 Ge8 67.45(4) . 2_655 ?
Ge5 Ni2 Ge8 102.17(11) 2_655 . ?
Ge5 Ni2 Ge8 132.43(12) . . ?
Ge7 Ni2 Ge8 68.24(4) 2_655 . ?
Ge7 Ni2 Ge8 124.12(4) . . ?
Ge6 Ni2 Ge8 66.82(3) . . ?
Ge6 Ni2 Ge8 126.67(4) 2_655 . ?
Ge9 Ni2 Ge8 67.45(4) 2_655 . ?
Ge9 Ni2 Ge8 67.88(5) . . ?
Ge8 Ni2 Ge8 125.17(8) 2_655 . ?
O1 K1 O5 96.15(17) . . ?
O1 K1 O4 99.45(17) . . ?
O5 K1 O4 95.62(17) . . ?
O1 K1 O6 123.23(17) . . ?
O5 K1 O6 60.73(16) . . ?
O4 K1 O6 131.42(17) . . ?
O1 K1 O2 60.21(15) . . ?
O5 K1 O2 134.93(18) . . ?
O4 K1 O2 124.12(17) . . ?
O6 K1 O2 98.65(16) . . ?
O1 K1 O3 139.13(17) . . ?
O5 K1 O3 119.35(18) . . ?
O4 K1 O3 60.15(17) . . ?
O6 K1 O3 93.35(16) . . ?
O2 K1 O3 100.13(16) . . ?
O1 K1 N2 120.59(17) . . ?
O5 K1 N2 120.72(17) . . ?
O4 K1 N2 118.90(18) . . ?
O6 K1 N2 60.30(16) . . ?
O2 K1 N2 60.84(16) . . ?
O3 K1 N2 59.39(17) . . ?
O1 K1 N1 60.08(17) . . ?
O5 K1 N1 59.32(17) . . ?
O4 K1 N1 60.4(2) . . ?
O6 K1 N1 119.82(17) . . ?
O2 K1 N1 119.77(17) . . ?
O3 K1 N1 119.84(19) . . ?
N2 K1 N1 179.2(2) . . ?
C12 N1 C13 110.8(7) . . ?
C12 N1 C1 110.2(7) . . ?
C13 N1 C1 109.8(7) . . ?
C12 N1 K1 107.9(5) . . ?
C13 N1 K1 109.2(5) . . ?
C1 N1 K1 108.8(5) . . ?
C7 N2 C18 108.7(6) . . ?
C7 N2 C6 109.6(6) . . ?
C18 N2 C6 110.2(7) . . ?
C7 N2 K1 111.5(5) . . ?
C18 N2 K1 108.6(4) . . ?
C6 N2 K1 108.3(4) . . ?
C3 O1 C2 110.4(6) . . ?
C3 O1 K1 116.5(4) . . ?
C2 O1 K1 118.7(5) . . ?
C5 O2 C4 111.3(6) . . ?
C5 O2 K1 115.0(5) . . ?
C4 O2 K1 112.1(4) . . ?
C9 O3 C8 111.9(7) . . ?
C9 O3 K1 112.4(5) . . ?
C8 O3 K1 113.6(4) . . ?
C11 O4 C10 111.5(7) . . ?
C11 O4 K1 116.5(5) . . ?
C10 O4 K1 113.3(5) . . ?
C14 O5 C15 111.5(7) . . ?
C14 O5 K1 119.9(5) . . ?
C15 O5 K1 115.5(4) . . ?
C17 O6 C16 112.4(6) . . ?
C17 O6 K1 115.7(4) . . ?
C16 O6 K1 110.6(4) . . ?
N1 C1 C2 113.9(7) . . ?
N1 C1 H1A 108.8 . . ?
C2 C1 H1A 108.8 . . ?
N1 C1 H1B 108.8 . . ?
C2 C1 H1B 108.8 . . ?
H1A C1 H1B 107.7 . . ?
O1 C2 C1 108.4(7) . . ?
O1 C2 H2A 110.0 . . ?
C1 C2 H2A 110.0 . . ?
O1 C2 H2B 110.0 . . ?
C1 C2 H2B 110.0 . . ?
H2A C2 H2B 108.4 . . ?
O1 C3 C4 109.0(6) . . ?
O1 C3 H3A 109.9 . . ?
C4 C3 H3A 109.9 . . ?
O1 C3 H3B 109.9 . . ?
C4 C3 H3B 109.9 . . ?
H3A C3 H3B 108.3 . . ?
O2 C4 C3 109.2(6) . . ?
O2 C4 H4A 109.8 . . ?
C3 C4 H4A 109.8 . . ?
O2 C4 H4B 109.8 . . ?
C3 C4 H4B 109.8 . . ?
H4A C4 H4B 108.3 . . ?
O2 C5 C6 109.7(6) . . ?
O2 C5 H5A 109.7 . . ?
C6 C5 H5A 109.7 . . ?
O2 C5 H5B 109.7 . . ?
C6 C5 H5B 109.7 . . ?
H5A C5 H5B 108.2 . . ?
N2 C6 C5 113.9(7) . . ?
N2 C6 H6A 108.8 . . ?
C5 C6 H6A 108.8 . . ?
N2 C6 H6B 108.8 . . ?
C5 C6 H6B 108.8 . . ?
H6A C6 H6B 107.7 . . ?
N2 C7 C8 113.0(7) . . ?
N2 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 . . ?
N2 C7 H7B 109.0 . . ?
C8 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
O3 C8 C7 108.4(7) . . ?
O3 C8 H8A 110.0 . . ?
C7 C8 H8A 110.0 . . ?
O3 C8 H8B 110.0 . . ?
C7 C8 H8B 110.0 . . ?
H8A C8 H8B 108.4 . . ?
O3 C9 C10 110.0(8) . . ?
O3 C9 H9A 109.7 . . ?
C10 C9 H9A 109.7 . . ?
O3 C9 H9B 109.7 . . ?
C10 C9 H9B 109.7 . . ?
H9A C9 H9B 108.2 . . ?
O4 C10 C9 109.2(7) . . ?
O4 C10 H10A 109.8 . . ?
C9 C10 H10A 109.8 . . ?
O4 C10 H10B 109.8 . . ?
C9 C10 H10B 109.8 . . ?
H10A C10 H10B 108.3 . . ?
O4 C11 C12 109.7(7) . . ?
O4 C11 H11A 109.7 . . ?
C12 C11 H11A 109.7 . . ?
O4 C11 H11B 109.7 . . ?
C12 C11 H11B 109.7 . . ?
H11A C11 H11B 108.2 . . ?
N1 C12 C11 113.4(7) . . ?
N1 C12 H12A 108.9 . . ?
C11 C12 H12A 108.9 . . ?
N1 C12 H12B 108.9 . . ?
C11 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
N1 C13 C14 113.3(7) . . ?
N1 C13 H13A 108.9 . . ?
C14 C13 H13A 108.9 . . ?
N1 C13 H13B 108.9 . . ?
C14 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
O5 C14 C13 107.7(8) . . ?
O5 C14 H14A 110.2 . . ?
C13 C14 H14A 110.2 . . ?
O5 C14 H14B 110.2 . . ?
C13 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
O5 C15 C16 108.2(7) . . ?
O5 C15 H15A 110.0 . . ?
C16 C15 H15A 110.0 . . ?
O5 C15 H15B 110.0 . . ?
C16 C15 H15B 110.0 . . ?
H15A C15 H15B 108.4 . . ?
O6 C16 C15 108.7(7) . . ?
O6 C16 H16A 110.0 . . ?
C15 C16 H16A 110.0 . . ?
O6 C16 H16B 110.0 . . ?
C15 C16 H16B 110.0 . . ?
H16A C16 H16B 108.3 . . ?
O6 C17 C18 108.6(7) . . ?
O6 C17 H17A 110.0 . . ?
C18 C17 H17A 110.0 . . ?
O6 C17 H17B 110.0 . . ?
C18 C17 H17B 110.0 . . ?
H17A C17 H17B 108.3 . . ?
N2 C18 C17 112.7(7) . . ?
N2 C18 H18A 109.1 . . ?
C17 C18 H18A 109.1 . . ?
N2 C18 H18B 109.1 . . ?
C17 C18 H18B 109.1 . . ?
H18A C18 H18B 107.8 . . ?
O9 K2 O11 122.9(2) . . ?
O9 K2 O7 127.6(2) . . ?
O11 K2 O7 102.8(2) . . ?
O9 K2 O8 86.8(2) . . ?
O11 K2 O8 147.57(19) . . ?
O7 K2 O8 60.2(2) . . ?
O9 K2 O10 57.8(2) . . ?
O11 K2 O10 103.4(2) . . ?
O7 K2 O10 89.9(2) . . ?
O8 K2 O10 103.9(2) . . ?
O9 K2 O12 104.6(2) . . ?
O11 K2 O12 59.98(18) . . ?
O7 K2 O12 120.9(2) . . ?
O8 K2 O12 102.98(18) . . ?
O10 K2 O12 146.5(2) . . ?
O9 K2 N4 59.7(2) . . ?
O11 K2 N4 118.9(2) . . ?
O7 K2 N4 120.5(2) . . ?
O8 K2 N4 62.0(2) . . ?
O10 K2 N4 116.4(2) . . ?
O12 K2 N4 61.30(19) . . ?
O9 K2 N3 117.5(2) . . ?
O11 K2 N3 61.4(2) . . ?
O7 K2 N3 61.6(2) . . ?
O8 K2 N3 119.5(3) . . ?
O10 K2 N3 61.1(2) . . ?
O12 K2 N3 119.8(2) . . ?
N4 K2 N3 177.1(2) . . ?
O9 K2 C28 42.5(3) . . ?
O11 K2 C28 126.5(2) . . ?
O7 K2 C28 91.0(3) . . ?
O8 K2 C28 83.5(2) . . ?
O10 K2 C28 24.2(2) . . ?
O12 K2 C28 146.6(3) . . ?
N4 K2 C28 95.4(2) . . ?
N3 K2 C28 82.4(3) . . ?
O9 K2 C29 78.3(3) . . ?
O11 K2 C29 97.9(3) . . ?
O7 K2 C29 70.8(2) . . ?
O8 K2 C29 101.2(3) . . ?
O10 K2 C29 21.4(2) . . ?
O12 K2 C29 155.8(3) . . ?
N4 K2 C29 134.3(3) . . ?
N3 K2 C29 43.6(3) . . ?
C28 K2 C29 38.9(3) . . ?
C31 N3 C30 109.1(9) . . ?
C31 N3 C19 110.2(9) . . ?
C30 N3 C19 112.5(10) . . ?
C31 N3 K2 109.2(6) . . ?
C30 N3 K2 111.1(6) . . ?
C19 N3 K2 104.6(5) . . ?
C24 N4 C36 109.7(7) . . ?
C24 N4 C25 111.7(7) . . ?
C36 N4 C25 109.5(8) . . ?
C24 N4 K2 109.3(6) . . ?
C36 N4 K2 110.2(5) . . ?
C25 N4 K2 106.5(5) . . ?
C20 O7 C21 111.0(8) . . ?
C20 O7 K2 121.6(7) . . ?
C21 O7 K2 115.6(6) . . ?
C22 O8 C23 111.4(7) . . ?
C22 O8 K2 117.0(6) . . ?
C23 O8 K2 115.7(5) . . ?
C26 O9 C27 112.3(8) . . ?
C26 O9 K2 125.5(5) . . ?
C27 O9 K2 120.2(7) . . ?
C29 O10 C28 111.1(10) . . ?
C29 O10 K2 109.5(6) . . ?
C28 O10 K2 103.8(5) . . ?
C32 O11 C33 113.1(7) . . ?
C32 O11 K2 118.9(6) . . ?
C33 O11 K2 117.8(5) . . ?
C34 O12 C35 111.2(7) . . ?
C34 O12 K2 111.0(5) . . ?
C35 O12 K2 116.0(5) . . ?
N3 C19 C20 115.3(10) . . ?
N3 C19 H19A 108.4 . . ?
C20 C19 H19A 108.4 . . ?
N3 C19 H19B 108.4 . . ?
C20 C19 H19B 108.4 . . ?
H19A C19 H19B 107.5 . . ?
O7 C20 C19 108.5(8) . . ?
O7 C20 H20A 110.0 . . ?
C19 C20 H20A 110.0 . . ?
O7 C20 H20B 110.0 . . ?
C19 C20 H20B 110.0 . . ?
H20A C20 H20B 108.4 . . ?
O7 C21 C22 109.2(8) . . ?
O7 C21 H21A 109.8 . . ?
C22 C21 H21A 109.8 . . ?
O7 C21 H21B 109.8 . . ?
C22 C21 H21B 109.8 . . ?
H21A C21 H21B 108.3 . . ?
O8 C22 C21 109.8(8) . . ?
O8 C22 H22A 109.7 . . ?
C21 C22 H22A 109.7 . . ?
O8 C22 H22B 109.7 . . ?
C21 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
O8 C23 C24 109.2(7) . . ?
O8 C23 H23A 109.8 . . ?
C24 C23 H23A 109.8 . . ?
O8 C23 H23B 109.8 . . ?
C24 C23 H23B 109.8 . . ?
H23A C23 H23B 108.3 . . ?
N4 C24 C23 113.7(7) . . ?
N4 C24 H24A 108.8 . . ?
C23 C24 H24A 108.8 . . ?
N4 C24 H24B 108.8 . . ?
C23 C24 H24B 108.8 . . ?
H24A C24 H24B 107.7 . . ?
N4 C25 C26 113.1(9) . . ?
N4 C25 H25A 109.0 . . ?
C26 C25 H25A 109.0 . . ?
N4 C25 H25B 109.0 . . ?
C26 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
O9 C26 C25 109.0(7) . . ?
O9 C26 H26A 109.9 . . ?
C25 C26 H26A 109.9 . . ?
O9 C26 H26B 109.9 . . ?
C25 C26 H26B 109.9 . . ?
H26A C26 H26B 108.3 . . ?
O9 C27 C28 108.5(8) . . ?
O9 C27 H27A 110.0 . . ?
C28 C27 H27A 110.0 . . ?
O9 C27 H27B 110.0 . . ?
C28 C27 H27B 110.0 . . ?
H27A C27 H27B 108.4 . . ?
O10 C28 C27 103.3(10) . . ?
O10 C28 K2 52.0(4) . . ?
C27 C28 K2 85.8(6) . . ?
O10 C28 H28A 111.1 . . ?
C27 C28 H28A 111.1 . . ?
K2 C28 H28A 72.9 . . ?
O10 C28 H28B 111.1 . . ?
C27 C28 H28B 111.1 . . ?
K2 C28 H28B 159.7 . . ?
H28A C28 H28B 109.1 . . ?
O10 C29 C30 120.4(11) . . ?
O10 C29 K2 49.2(5) . . ?
C30 C29 K2 88.5(6) . . ?
O10 C29 H29A 107.2 . . ?
C30 C29 H29A 107.2 . . ?
K2 C29 H29A 156.4 . . ?
O10 C29 H29B 107.2 . . ?
C30 C29 H29B 107.2 . . ?
K2 C29 H29B 84.3 . . ?
H29A C29 H29B 106.8 . . ?
C29 C30 N3 115.9(9) . . ?
C29 C30 H30A 108.3 . . ?
N3 C30 H30A 108.3 . . ?
C29 C30 H30B 108.3 . . ?
N3 C30 H30B 108.3 . . ?
H30A C30 H30B 107.4 . . ?
N3 C31 C32 114.4(8) . . ?
N3 C31 H31A 108.7 . . ?
C32 C31 H31A 108.7 . . ?
N3 C31 H31B 108.7 . . ?
C32 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
O11 C32 C31 110.7(8) . . ?
O11 C32 H32A 109.5 . . ?
C31 C32 H32A 109.5 . . ?
O11 C32 H32B 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 108.1 . . ?
O11 C33 C34 109.8(7) . . ?
O11 C33 H33A 109.7 . . ?
C34 C33 H33A 109.7 . . ?
O11 C33 H33B 109.7 . . ?
C34 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
O12 C34 C33 110.0(7) . . ?
O12 C34 H34A 109.7 . . ?
C33 C34 H34A 109.7 . . ?
O12 C34 H34B 109.7 . . ?
C33 C34 H34B 109.7 . . ?
H34A C34 H34B 108.2 . . ?
O12 C35 C36 110.3(7) . . ?
O12 C35 H35A 109.6 . . ?
C36 C35 H35A 109.6 . . ?
O12 C35 H35B 109.6 . . ?
C36 C35 H35B 109.6 . . ?
H35A C35 H35B 108.1 . . ?
N4 C36 C35 113.7(8) . . ?
N4 C36 H36A 108.8 . . ?
C35 C36 H36A 108.8 . . ?
N4 C36 H36B 108.8 . . ?
C35 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?
C37 N5 H5C 109.6 . . ?
C37 N5 H5D 109.1 . . ?
H5C N5 H5D 109.5 . . ?
N5 C37 C38 131(3) . . ?
N5 C37 H37A 104.5 . . ?
C38 C37 H37A 104.5 . . ?
N5 C37 H37B 104.5 . . ?
C38 C37 H37B 104.5 . . ?
H37A C37 H37B 105.6 . . ?
N6 C38 C37 104(3) . . ?
N6 C38 H38A 110.9 . . ?
C37 C38 H38A 110.9 . . ?
N6 C38 H38B 110.9 . . ?
C37 C38 H38B 110.9 . . ?
H38A C38 H38B 108.9 . . ?
C38 N6 H6C 111.7 . . ?
C38 N6 H6D 108.8 . . ?
H6C N6 H6D 109.5 . . ?

_refine_diff_density_max         4.661
_refine_diff_density_min         -3.997
_refine_diff_density_rms         0.171

