# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1536833'
_audit_update_record             
;
2017-04-10 deposited with the CCDC.
2017-04-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C69 H96 Ge9 K4 N6 O39 W3'
_chemical_formula_weight         2994.78

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Hexagonal
_symmetry_space_group_name_H-M   P6(3)/m

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

_cell_length_a                   19.7716(9)
_cell_length_b                   19.7716(9)
_cell_length_c                   16.5975(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     5619.0(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    15710
_cell_measurement_theta_min      2.0477
_cell_measurement_theta_max      27.5593

_exptl_crystal_description       Needle
_exptl_crystal_colour            Black
_exptl_crystal_size_max          0.3000
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.1000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2900
_exptl_absorpt_coefficient_mu    5.647
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7129
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
???? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            44487
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0188
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.38
_diffrn_reflns_theta_max         27.70
_reflns_number_total             4403
_reflns_number_gt                4169
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0300P)²+24.2442P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4403
_refine_ls_number_parameters     181
_refine_ls_number_restraints     74
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0646
_refine_ls_wR_factor_ref         0.1296
_refine_ls_wR_factor_gt          0.1277
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_restrained_S_all      1.200
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W W 0.61622(2) 0.76679(3) 0.2500 0.06404(16) Uani 1 2 d S . .
Ge1 Ge 0.45878(6) 0.70661(7) 0.2500 0.0656(3) Uani 1 2 d S . .
Ge2 Ge 0.36187(4) 0.60786(4) 0.34887(5) 0.0629(2) Uani 1 1 d . . .
K1 K 0.4492(2) 0.30129(18) 0.2500 0.0921(9) Uani 1 2 d SD . .
K2 K 0.0000 1.0000 0.5000 0.0933(14) Uani 1 6 d S . .
O1 O 0.6188(5) 0.8735(6) 0.3950(7) 0.143(4) Uani 1 1 d . . .
O2 O 0.6162(7) 0.6487(6) 0.3753(6) 0.147(4) Uani 1 1 d . . .
O3 O 0.7968(6) 0.8529(8) 0.2500 0.134(4) Uani 1 2 d S . .
O4 O 0.1147(9) 0.9589(9) 0.5133(11) 0.200(3) Uani 1 1 d U . .
C1 C 0.6157(5) 0.8352(7) 0.3433(9) 0.103(3) Uani 1 1 d . . .
C2 C 0.6114(6) 0.6895(6) 0.3316(6) 0.089(3) Uani 1 1 d . . .
C3 C 0.7304(7) 0.8237(9) 0.2500 0.084(4) Uani 1 2 d S . .
C4 C 0.1902(11) 1.0180(12) 0.4838(12) 0.163(6) Uani 1 1 d U . .
H4A H 0.2312 1.0064 0.5015 0.196 Uiso 1 1 calc R . .
H4B H 0.1901 1.0197 0.4242 0.196 Uiso 1 1 calc R . .
C5 C 0.0898(13) 0.8852(13) 0.4842(13) 0.180(7) Uani 1 1 d U . .
H5A H 0.1300 0.8708 0.4964 0.216 Uiso 1 1 calc R . .
H5B H 0.0850 0.8860 0.4249 0.216 Uiso 1 1 calc R . .
O7 O 0.4398(8) 0.4276(8) 0.3130(3) 0.200(3) Uani 1 1 d DU . .
O5 O 0.5030(8) 0.2225(8) 0.3471(9) 0.200(3) Uani 1 1 d DU . .
C22 C 0.4446(11) 0.3856(9) 0.4443(8) 0.178(7) Uani 1 1 d DU . .
H22A H 0.3875 0.3509 0.4502 0.214 Uiso 1 1 calc R . .
H22B H 0.4671 0.4163 0.4942 0.214 Uiso 1 1 calc R . .
C21 C 0.5105(14) 0.2449(13) 0.4271(9) 0.212(8) Uani 1 1 d DU . .
H21A H 0.5664 0.2772 0.4414 0.255 Uiso 1 1 calc R . .
H21B H 0.4868 0.1982 0.4623 0.255 Uiso 1 1 calc R . .
C20 C 0.4724(10) 0.2878(11) 0.4378(14) 0.175(6) Uani 1 1 d DU . .
H20A H 0.4189 0.2518 0.4182 0.210 Uiso 1 1 calc R . .
H20B H 0.4675 0.2889 0.4971 0.210 Uiso 1 1 calc R . .
O8 O 0.4827(8) 0.3466(9) 0.4187(11) 0.200(3) Uani 1 1 d DU . .
C24 C 0.5143(19) 0.1739(16) 0.2924(3) 0.291(14) Uani 1 1 d DU . .
H24A H 0.5653 0.1796 0.3077 0.349 Uiso 1 1 calc R . .
H24B H 0.4746 0.1200 0.3077 0.349 Uiso 1 1 calc R . .
C7 C 0.4633(8) 0.4276(8) 0.3815(6) 0.169(6) Uani 1 1 d DU . .
H7A H 0.4712 0.4777 0.4031 0.202 Uiso 1 1 calc RD . .
H7B H 0.5167 0.4371 0.3710 0.202 Uiso 1 1 calc R . .
C25 C 0.4581(13) 0.4932(10) 0.2891(6) 0.37(3) Uani 1 1 d DU . .
H25A H 0.5107 0.5315 0.3094 0.441 Uiso 1 1 calc RD . .
H25B H 0.4204 0.5083 0.3094 0.441 Uiso 1 1 calc R . .
C27 C 0.254(3) 0.220(2) 0.2500 0.29(2) Uiso 1 2 d SD . .
N1 N 0.311(2) 0.130(2) 0.2500 0.253(13) Uiso 1 2 d SD . .
N2 N 0.293(3) 0.240(2) 0.331(2) 0.30(2) Uiso 0.50 1 d PD . .
C26 C 0.240(2) 0.139(2) 0.2500 0.30(2) Uiso 1 2 d SD . .


_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
W C3 1.955(12) . ?
W C2 2.009(11) 10_556 ?
W C2 2.009(11) . ?
W C1 2.059(14) . ?
W C1 2.059(14) 10_556 ?
W Ge1 2.7207(11) . ?
Ge1 Ge2 2.5367(12) 10_556 ?
Ge1 Ge2 2.5367(12) . ?
Ge1 Ge2 2.5578(12) 12_666 ?
Ge1 Ge2 2.5578(12) 3_665 ?
Ge2 Ge1 2.5578(12) 8_566 ?
Ge2 Ge2 2.6419(13) 3_665 ?
Ge2 Ge2 2.6419(13) 5_565 ?
K1 O5 2.794(16) 10_556 ?
K1 O5 2.794(16) . ?
K1 O7 2.799(14) . ?
K1 O7 2.799(14) 10_556 ?
K1 O8 2.914(18) . ?
K1 O8 2.914(18) 10_556 ?
K1 N2 3.02(6) 10_556 ?
K1 N2 3.02(6) . ?
K1 N1 3.11(3) . ?
K1 C20 3.18(2) 10_556 ?
K1 C7 3.222(14) . ?
K1 C7 3.222(14) 10_556 ?
K2 O4 2.774(15) 11_666 ?
K2 O4 2.774(14) 3_675 ?
K2 O4 2.774(15) 5_465 ?
K2 O4 2.774(14) . ?
K2 O4 2.774(14) 9_456 ?
K2 O4 2.774(14) 7_576 ?
K2 C5 3.52(2) 5_465 ?
K2 C5 3.52(2) 11_666 ?
K2 C5 3.52(2) 3_675 ?
K2 C5 3.52(2) 9_456 ?
K2 C5 3.52(2) 7_576 ?
K2 C5 3.52(2) . ?
O1 C1 1.126(14) . ?
O2 C2 1.124(12) . ?
O3 C3 1.140(14) . ?
O4 C5 1.37(2) . ?
O4 C4 1.45(2) . ?
C4 C5 1.40(2) 11_666 ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C4 1.40(2) 9_456 ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
O7 C25 1.225(9) . ?
O7 C7 1.228(8) . ?
O5 C21 1.383(9) . ?
O5 C24 1.420(9) . ?
C22 C7 1.267(9) . ?
C22 O8 1.387(9) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C21 C20 1.400(10) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C20 O8 1.121(19) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
O8 C7 1.92(2) . ?
C24 C24 1.408(10) 10_556 ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C25 C25 1.299(18) 10_556 ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C27 C26 1.498(10) . ?
C27 N2 1.498(10) . ?
C27 N2 1.498(10) 10_556 ?
N1 C26 1.495(10) . ?

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
C3 W C2 92.3(4) . 10_556 ?
C3 W C2 92.3(4) . . ?
C2 W C2 84.8(6) 10_556 . ?
C3 W C1 90.3(4) . . ?
C2 W C1 173.2(5) 10_556 . ?
C2 W C1 88.8(5) . . ?
C3 W C1 90.3(4) . 10_556 ?
C2 W C1 88.8(5) 10_556 10_556 ?
C2 W C1 173.2(5) . 10_556 ?
C1 W C1 97.5(7) . 10_556 ?
C3 W Ge1 172.4(4) . . ?
C2 W Ge1 93.4(3) 10_556 . ?
C2 W Ge1 93.4(3) . . ?
C1 W Ge1 84.7(3) . . ?
C1 W Ge1 84.7(3) 10_556 . ?
Ge2 Ge1 Ge2 80.62(5) 10_556 . ?
Ge2 Ge1 Ge2 62.47(4) 10_556 12_666 ?
Ge2 Ge1 Ge2 111.59(5) . 12_666 ?
Ge2 Ge1 Ge2 111.59(5) 10_556 3_665 ?
Ge2 Ge1 Ge2 62.47(4) . 3_665 ?
Ge2 Ge1 Ge2 79.82(5) 12_666 3_665 ?
Ge2 Ge1 W 126.54(4) 10_556 . ?
Ge2 Ge1 W 126.54(4) . . ?
Ge2 Ge1 W 121.74(4) 12_666 . ?
Ge2 Ge1 W 121.74(4) 3_665 . ?
Ge1 Ge2 Ge1 96.52(4) . 8_566 ?
Ge1 Ge2 Ge2 59.15(4) . 3_665 ?
Ge1 Ge2 Ge2 102.86(3) 8_566 3_665 ?
Ge1 Ge2 Ge2 103.44(3) . 5_565 ?
Ge1 Ge2 Ge2 58.37(4) 8_566 5_565 ?
Ge2 Ge2 Ge2 60.0 3_665 5_565 ?
O5 K1 O5 70.5(5) 10_556 . ?
O5 K1 O7 157.9(4) 10_556 . ?
O5 K1 O7 119.7(3) . . ?
O5 K1 O7 119.7(3) 10_556 10_556 ?
O5 K1 O7 157.9(4) . 10_556 ?
O7 K1 O7 43.9(3) . 10_556 ?
O5 K1 O8 129.4(4) 10_556 . ?
O5 K1 O8 61.7(4) . . ?
O7 K1 O8 58.2(3) . . ?
O7 K1 O8 101.0(4) 10_556 . ?
O5 K1 O8 61.7(4) 10_556 10_556 ?
O5 K1 O8 129.4(4) . 10_556 ?
O7 K1 O8 101.0(4) . 10_556 ?
O7 K1 O8 58.2(3) 10_556 10_556 ?
O8 K1 O8 147.9(7) . 10_556 ?
O5 K1 N2 96.9(8) 10_556 10_556 ?
O5 K1 N2 129.3(7) . 10_556 ?
O7 K1 N2 90.7(8) . 10_556 ?
O7 K1 N2 71.3(7) 10_556 10_556 ?
O8 K1 N2 125.5(6) . 10_556 ?
O8 K1 N2 74.1(5) 10_556 10_556 ?
O5 K1 N2 129.3(7) 10_556 . ?
O5 K1 N2 96.9(8) . . ?
O7 K1 N2 71.3(7) . . ?
O7 K1 N2 90.7(8) 10_556 . ?
O8 K1 N2 74.1(5) . . ?
O8 K1 N2 125.5(6) 10_556 . ?
N2 K1 N2 52.8(10) 10_556 . ?
O5 K1 N1 76.4(6) 10_556 . ?
O5 K1 N1 76.4(6) . . ?
O7 K1 N1 123.9(6) . . ?
O7 K1 N1 123.9(6) 10_556 . ?
O8 K1 N1 106.0(3) . . ?
O8 K1 N1 106.0(3) 10_556 . ?
N2 K1 N1 52.9(9) 10_556 . ?
N2 K1 N1 52.9(9) . . ?
O5 K1 C20 43.7(4) 10_556 10_556 ?
O5 K1 C20 114.1(4) . 10_556 ?
O7 K1 C20 121.2(4) . 10_556 ?
O7 K1 C20 77.6(4) 10_556 10_556 ?
O8 K1 C20 161.3(4) . 10_556 ?
O8 K1 C20 20.6(4) 10_556 10_556 ?
N2 K1 C20 72.1(6) 10_556 10_556 ?
N2 K1 C20 124.4(6) . 10_556 ?
N1 K1 C20 89.6(4) . 10_556 ?
O5 K1 C7 155.9(4) 10_556 . ?
O5 K1 C7 97.6(3) . . ?
O7 K1 C7 22.13(19) . . ?
O7 K1 C7 65.2(3) 10_556 . ?
O8 K1 C7 36.1(3) . . ?
O8 K1 C7 119.6(4) 10_556 . ?
N2 K1 C7 106.6(8) 10_556 . ?
N2 K1 C7 71.5(6) . . ?
N1 K1 C7 122.2(5) . . ?
C20 K1 C7 140.2(4) 10_556 . ?
O5 K1 C7 97.6(3) 10_556 10_556 ?
O5 K1 C7 155.9(4) . 10_556 ?
O7 K1 C7 65.2(3) . 10_556 ?
O7 K1 C7 22.13(19) 10_556 10_556 ?
O8 K1 C7 119.6(4) . 10_556 ?
O8 K1 C7 36.1(3) 10_556 10_556 ?
N2 K1 C7 71.5(6) 10_556 10_556 ?
N2 K1 C7 106.6(8) . 10_556 ?
N1 K1 C7 122.2(5) . 10_556 ?
C20 K1 C7 56.0(4) 10_556 10_556 ?
C7 K1 C7 85.3(4) . 10_556 ?
O4 K2 O4 60.63(10) 11_666 3_675 ?
O4 K2 O4 180.000(1) 11_666 5_465 ?
O4 K2 O4 119.37(11) 3_675 5_465 ?
O4 K2 O4 60.63(10) 11_666 . ?
O4 K2 O4 119.37(11) 3_675 . ?
O4 K2 O4 119.37(10) 5_465 . ?
O4 K2 O4 119.37(10) 11_666 9_456 ?
O4 K2 O4 180.000(1) 3_675 9_456 ?
O4 K2 O4 60.63(10) 5_465 9_456 ?
O4 K2 O4 60.63(10) . 9_456 ?
O4 K2 O4 119.37(10) 11_666 7_576 ?
O4 K2 O4 60.63(10) 3_675 7_576 ?
O4 K2 O4 60.63(10) 5_465 7_576 ?
O4 K2 O4 180.000(3) . 7_576 ?
O4 K2 O4 119.37(11) 9_456 7_576 ?
O4 K2 C5 158.8(4) 11_666 5_465 ?
O4 K2 C5 101.0(4) 3_675 5_465 ?
O4 K2 C5 21.2(4) 5_465 5_465 ?
O4 K2 C5 139.4(4) . 5_465 ?
O4 K2 C5 79.0(4) 9_456 5_465 ?
O4 K2 C5 40.6(4) 7_576 5_465 ?
O4 K2 C5 21.2(4) 11_666 11_666 ?
O4 K2 C5 79.0(4) 3_675 11_666 ?
O4 K2 C5 158.8(4) 5_465 11_666 ?
O4 K2 C5 40.6(4) . 11_666 ?
O4 K2 C5 101.0(4) 9_456 11_666 ?
O4 K2 C5 139.4(4) 7_576 11_666 ?
C5 K2 C5 180.000(1) 5_465 11_666 ?
O4 K2 C5 40.6(4) 11_666 3_675 ?
O4 K2 C5 21.2(4) 3_675 3_675 ?
O4 K2 C5 139.4(4) 5_465 3_675 ?
O4 K2 C5 101.0(4) . 3_675 ?
O4 K2 C5 158.8(4) 9_456 3_675 ?
O4 K2 C5 79.0(4) 7_576 3_675 ?
C5 K2 C5 119.45(9) 5_465 3_675 ?
C5 K2 C5 60.55(9) 11_666 3_675 ?
O4 K2 C5 139.4(4) 11_666 9_456 ?
O4 K2 C5 158.8(4) 3_675 9_456 ?
O4 K2 C5 40.6(4) 5_465 9_456 ?
O4 K2 C5 79.0(4) . 9_456 ?
O4 K2 C5 21.2(4) 9_456 9_456 ?
O4 K2 C5 101.0(4) 7_576 9_456 ?
C5 K2 C5 60.55(9) 5_465 9_456 ?
C5 K2 C5 119.45(9) 11_666 9_456 ?
C5 K2 C5 180.000(2) 3_675 9_456 ?
O4 K2 C5 101.0(4) 11_666 7_576 ?
O4 K2 C5 40.6(4) 3_675 7_576 ?
O4 K2 C5 79.0(4) 5_465 7_576 ?
O4 K2 C5 158.8(4) . 7_576 ?
O4 K2 C5 139.4(4) 9_456 7_576 ?
O4 K2 C5 21.2(4) 7_576 7_576 ?
C5 K2 C5 60.55(9) 5_465 7_576 ?
C5 K2 C5 119.45(9) 11_666 7_576 ?
C5 K2 C5 60.55(9) 3_675 7_576 ?
C5 K2 C5 119.45(10) 9_456 7_576 ?
O4 K2 C5 79.0(4) 11_666 . ?
O4 K2 C5 139.4(4) 3_675 . ?
O4 K2 C5 101.0(4) 5_465 . ?
O4 K2 C5 21.2(4) . . ?
O4 K2 C5 40.6(4) 9_456 . ?
O4 K2 C5 158.8(4) 7_576 . ?
C5 K2 C5 119.45(9) 5_465 . ?
C5 K2 C5 60.55(9) 11_666 . ?
C5 K2 C5 119.45(10) 3_675 . ?
C5 K2 C5 60.55(9) 9_456 . ?
C5 K2 C5 180.000(4) 7_576 . ?
C5 O4 C4 114.6(17) . . ?
C5 O4 K2 111.8(12) . . ?
C4 O4 K2 113.6(11) . . ?
O1 C1 W 176.9(9) . . ?
O2 C2 W 173.1(10) . . ?
O3 C3 W 176.1(14) . . ?
C5 C4 O4 107.1(17) 11_666 . ?
C5 C4 H4A 110.3 11_666 . ?
O4 C4 H4A 110.3 . . ?
C5 C4 H4B 110.3 11_666 . ?
O4 C4 H4B 110.3 . . ?
H4A C4 H4B 108.5 . . ?
O4 C5 C4 114(2) . 9_456 ?
O4 C5 K2 47.0(9) . . ?
C4 C5 K2 82.0(12) 9_456 . ?
O4 C5 H5A 108.8 . . ?
C4 C5 H5A 108.8 9_456 . ?
K2 C5 H5A 155.1 . . ?
O4 C5 H5B 108.8 . . ?
C4 C5 H5B 108.8 9_456 . ?
K2 C5 H5B 89.0 . . ?
H5A C5 H5B 107.7 . . ?
C25 O7 C7 112.9(9) . . ?
C25 O7 K1 135.0(7) . . ?
C7 O7 K1 98.7(11) . . ?
C21 O5 C24 143.3(15) . . ?
C21 O5 K1 112.7(9) . . ?
C24 O5 K1 104.0(9) . . ?
C7 C22 O8 92.8(13) . . ?
C7 C22 H22A 113.1 . . ?
O8 C22 H22A 113.1 . . ?
C7 C22 H22B 113.1 . . ?
O8 C22 H22B 113.1 . . ?
H22A C22 H22B 110.5 . . ?
O5 C21 C20 108.1(14) . . ?
O5 C21 H21A 110.1 . . ?
C20 C21 H21A 110.1 . . ?
O5 C21 H21B 110.1 . . ?
C20 C21 H21B 110.1 . . ?
H21A C21 H21B 108.4 . . ?
O8 C20 C21 136(2) . . ?
O8 C20 H20A 103.1 . . ?
C21 C20 H20A 103.1 . . ?
O8 C20 H20B 103.1 . . ?
C21 C20 H20B 103.1 . . ?
H20A C20 H20B 105.1 . . ?
C20 O8 C22 128.6(19) . . ?
C20 O8 C7 160.9(16) . . ?
C22 O8 C7 41.1(6) . . ?
C20 O8 K1 93.2(16) . . ?
C22 O8 K1 111.3(11) . . ?
C7 O8 K1 80.7(7) . . ?
C24 C24 O5 129.8(8) 10_556 . ?
C24 C24 H24A 104.8 10_556 . ?
O5 C24 H24A 104.8 . . ?
C24 C24 H24B 104.8 10_556 . ?
O5 C24 H24B 104.8 . . ?
H24A C24 H24B 105.8 . . ?
O7 C7 C22 140.9(15) . . ?
O7 C7 O8 122.1(13) . . ?
C22 C7 O8 46.0(7) . . ?
O7 C7 K1 59.2(9) . . ?
C22 C7 K1 99.6(10) . . ?
O8 C7 K1 63.2(7) . . ?
O7 C7 H7A 101.8 . . ?
C22 C7 H7A 101.8 . . ?
O8 C7 H7A 136.0 . . ?
K1 C7 H7A 158.5 . . ?
O7 C7 H7B 101.8 . . ?
C22 C7 H7B 101.8 . . ?
O8 C7 H7B 65.1 . . ?
K1 C7 H7B 72.5 . . ?
H7A C7 H7B 104.7 . . ?
O7 C25 C25 108.9(5) . 10_556 ?
O7 C25 H25A 109.9 . . ?
C25 C25 H25A 109.9 10_556 . ?
O7 C25 H25B 109.9 . . ?
C25 C25 H25B 109.9 10_556 . ?
H25A C25 H25B 108.3 . . ?
C26 C27 N2 94.0(12) . . ?
C26 C27 N2 94.0(12) . 10_556 ?
N2 C27 N2 128(6) . 10_556 ?
C26 C27 K1 93(3) . . ?
N2 C27 K1 64(3) . . ?
N2 C27 K1 64(3) 10_556 . ?
C26 N1 K1 104(2) . . ?
C27 N2 K1 90(4) . . ?
N1 C26 C27 117(3) . . ?

_diffrn_measured_fraction_theta_max 0.967
_diffrn_reflns_theta_full        27.70
_diffrn_measured_fraction_theta_full 0.967
_refine_diff_density_max         1.209
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.123
_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
