# Electronic Supplementary Material for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Jingyang Niu'
_publ_contact_author_email       JYNIU@HENU.EDU.CN

_publ_section_title              
;
A Novel Hexanuclear Copper(II)-substituted Dimeric
Tungstogermanate
;
loop_
_publ_author_name
'Jingyang Niu.'
'Juan Du.'
'Jing-ping Wang.'

# Attachment '1.cif'

data_njy1
_database_code_depnum_ccdc_archive 'CCDC 667063'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C80 H70 Cu10 Ge2 N16 O71 W18'
_chemical_formula_weight         6481.40

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'
Cu Cu 0.3201 1.2651 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   15.5850(16)
_cell_length_b                   20.081(2)
_cell_length_c                   19.023(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.1180(10)
_cell_angle_gamma                90.00
_cell_volume                     5938.2(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    250
_cell_measurement_theta_min      2.5
_cell_measurement_theta_max      25

_exptl_crystal_description       Block
_exptl_crystal_colour            Green
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.625
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5832
_exptl_absorpt_coefficient_mu    19.701
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.1839
_exptl_absorpt_correction_T_max  0.2205
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  'Bruker Apex-2 CCD'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            29992
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.02
_diffrn_reflns_theta_max         25.00
_reflns_number_total             10423
_reflns_number_gt                7873
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Apex2 (Bruker, 2005)'
_computing_cell_refinement       'Saint (Bruker, 2005)'
_computing_data_reduction        Saint
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997a)'
_computing_publication_material  SHELXTL

_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.
An ISOR order for O11 is added because it is non-positive-definite and
SIMU order is added for C12 and C13 because their thermal factor is 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)+(0.0324P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10423
_refine_ls_number_parameters     892
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_ref         0.0784
_refine_ls_wR_factor_gt          0.0726
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.004
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.40999(8) -0.01585(6) -0.03396(7) 0.0175(3) Uani 1 1 d . . .
Cu2 Cu 0.56160(8) -0.11623(6) -0.06008(6) 0.0155(3) Uani 1 1 d . . .
Cu3 Cu 0.74120(8) -0.08543(7) 0.02421(7) 0.0224(3) Uani 1 1 d . . .
Cu4 Cu 0.37686(10) -0.02183(8) 0.30674(8) 0.0354(4) Uani 1 1 d . . .
Cu5 Cu 0.41790(11) -0.36144(9) -0.14028(9) 0.0443(4) Uani 1 1 d . . .
Ge1 Ge 0.48066(7) -0.09986(5) 0.10499(5) 0.0140(2) Uani 1 1 d . . .
W1 W 0.31055(3) -0.15052(2) 0.21672(2) 0.02170(12) Uani 1 1 d . . .
W2 W 0.27062(3) -0.13025(2) 0.04016(2) 0.01908(11) Uani 1 1 d . . .
W3 W 0.29973(3) 0.00404(2) 0.14360(2) 0.01858(11) Uani 1 1 d . . .
W4 W 0.53918(3) -0.11352(2) 0.29336(2) 0.02327(12) Uani 1 1 d . . .
W5 W 0.52778(3) 0.04052(2) 0.21613(2) 0.02053(12) Uani 1 1 d . . .
W6 W 0.68703(3) -0.06638(2) 0.18432(2) 0.02107(12) Uani 1 1 d . . .
W7 W 0.49253(3) -0.26637(2) 0.18628(2) 0.02354(12) Uani 1 1 d . . .
W8 W 0.64674(3) -0.22124(2) 0.07959(2) 0.02118(12) Uani 1 1 d . . .
W9 W 0.44703(3) -0.24802(2) 0.01128(2) 0.02106(12) Uani 1 1 d . . .
O1 O 0.2516(5) -0.1844(4) 0.2798(4) 0.032(2) Uani 1 1 d . . .
O2 O 0.1780(5) -0.1559(4) -0.0045(4) 0.030(2) Uani 1 1 d . . .
O3 O 0.2300(5) 0.0630(4) 0.1686(4) 0.0281(19) Uani 1 1 d . . .
O4 O 0.5511(5) -0.1333(4) 0.3819(4) 0.036(2) Uani 1 1 d . . .
O5 O 0.5289(5) 0.1138(4) 0.2612(4) 0.030(2) Uani 1 1 d . . .
O6 O 0.7937(5) -0.0591(4) 0.2068(4) 0.031(2) Uani 1 1 d . . .
O7 O 0.4894(5) -0.3330(4) 0.2416(4) 0.038(2) Uani 1 1 d . . .
O8 O 0.7411(4) -0.2607(4) 0.0711(4) 0.0278(19) Uani 1 1 d . . .
O9 O 0.4142(4) -0.3138(4) -0.0423(4) 0.0264(19) Uani 1 1 d . . .
O10 O 0.4119(4) -0.1102(4) 0.2759(3) 0.0210(18) Uani 1 1 d . . .
O11 O 0.5396(5) -0.1962(3) 0.2499(3) 0.0243(18) Uani 1 1 d U . .
O12 O 0.3827(5) -0.2218(3) 0.1987(4) 0.0223(18) Uani 1 1 d . . .
O13 O 0.2420(4) -0.1681(4) 0.1355(4) 0.0242(18) Uani 1 1 d . . .
O14 O 0.2725(5) -0.0605(4) 0.2203(4) 0.0257(19) Uani 1 1 d . . .
O15 O 0.5260(5) -0.0187(4) 0.3010(4) 0.0226(18) Uani 1 1 d . . .
O16 O 0.6535(5) -0.1000(4) 0.2741(4) 0.0249(19) Uani 1 1 d . . .
O17 O 0.6055(5) -0.2725(4) 0.1581(4) 0.0279(19) Uani 1 1 d . . .
O18 O 0.4452(4) -0.3013(4) 0.1023(4) 0.0219(18) Uani 1 1 d . . .
O19 O 0.2269(4) -0.0474(4) 0.0821(4) 0.0232(18) Uani 1 1 d . . .
O20 O 0.4018(5) 0.0200(4) 0.2099(4) 0.0220(18) Uani 1 1 d . . .
O21 O 0.6466(5) 0.0203(3) 0.2156(4) 0.0250(19) Uani 1 1 d . . .
O22 O 0.6811(5) -0.1550(4) 0.1479(4) 0.0247(18) Uani 1 1 d . . .
O23 O 0.5706(5) -0.2733(3) 0.0216(4) 0.0226(18) Uani 1 1 d . . .
O24 O 0.3418(5) -0.2084(4) 0.0318(4) 0.0226(18) Uani 1 1 d . . .
O25 O 0.3258(4) -0.0843(3) -0.0221(4) 0.0197(17) Uani 1 1 d . . .
O26 O 0.3528(4) 0.0449(3) 0.0733(4) 0.0208(17) Uani 1 1 d . . .
O27 O 0.5163(4) 0.0657(3) 0.1252(4) 0.0192(17) Uani 1 1 d . . .
O28 O 0.6758(4) -0.0360(4) 0.0907(4) 0.0211(17) Uani 1 1 d . . .
O29 O 0.6456(4) -0.1537(4) 0.0114(4) 0.0253(19) Uani 1 1 d . . .
O30 O 0.4762(4) -0.1854(4) -0.0484(4) 0.0226(18) Uani 1 1 d . . .
O31 O 0.3731(4) -0.0946(3) 0.1223(3) 0.0168(16) Uani 1 1 d . . .
O32 O 0.5399(4) -0.0687(3) 0.1788(3) 0.0183(17) Uani 1 1 d . . .
O33 O 0.5075(4) -0.1840(3) 0.0971(4) 0.0185(17) Uani 1 1 d . . .
O34 O 0.5030(4) -0.0554(3) 0.0294(3) 0.0167(16) Uani 1 1 d . . .
N1 N 0.8524(5) -0.0388(4) 0.0552(5) 0.020(2) Uani 1 1 d . . .
N1' N 0.8208(6) -0.1386(5) -0.0285(5) 0.025(2) Uani 1 1 d . . .
N2' N 0.3774(6) -0.0506(5) 0.4075(5) 0.035(3) Uani 1 1 d . . .
N2 N 0.3477(7) 0.0634(5) 0.3502(5) 0.038(3) Uani 1 1 d . . .
N3' N 0.3683(7) -0.4533(5) -0.1242(5) 0.039(3) Uani 1 1 d . . .
N3 N 0.5257(7) -0.4092(7) -0.1055(6) 0.052(3) Uani 1 1 d . . .
N4 N 0.3200(7) -0.3023(5) -0.1695(5) 0.037(3) Uani 1 1 d . . .
N4' N 0.4596(7) -0.3271(6) -0.2302(5) 0.044(3) Uani 1 1 d . . .
C1 C 0.8591(8) 0.0147(6) 0.0959(6) 0.031(3) Uani 1 1 d . . .
H1A H 0.8103 0.0390 0.1051 0.037 Uiso 1 1 calc R . .
C1' C 0.7986(8) -0.1837(6) -0.0778(6) 0.032(3) Uani 1 1 d . . .
H1'A H 0.7404 -0.1923 -0.0880 0.039 Uiso 1 1 calc R . .
C2' C 0.8562(8) -0.2172(7) -0.1134(6) 0.038(3) Uani 1 1 d . . .
H2'A H 0.8377 -0.2464 -0.1493 0.046 Uiso 1 1 calc R . .
C2 C 0.9397(8) 0.0343(6) 0.1248(6) 0.034(3) Uani 1 1 d . . .
H2A H 0.9445 0.0710 0.1547 0.041 Uiso 1 1 calc R . .
C3 C 1.0103(8) 0.0009(7) 0.1101(7) 0.042(4) Uani 1 1 d . . .
H3A H 1.0642 0.0141 0.1293 0.050 Uiso 1 1 calc R . .
C3' C 0.9434(8) -0.2081(6) -0.0963(6) 0.037(3) Uani 1 1 d . . .
H3'A H 0.9839 -0.2320 -0.1194 0.045 Uiso 1 1 calc R . .
C4 C 1.0020(8) -0.0543(7) 0.0652(7) 0.038(3) Uani 1 1 d . . .
H4A H 1.0502 -0.0782 0.0539 0.046 Uiso 1 1 calc R . .
C4' C 0.9690(8) -0.1628(7) -0.0442(6) 0.037(3) Uani 1 1 d . . .
H4'A H 1.0269 -0.1565 -0.0304 0.045 Uiso 1 1 calc R . .
C5' C 0.9041(7) -0.1266(5) -0.0129(6) 0.026(3) Uani 1 1 d . . .
C5 C 0.9235(7) -0.0719(5) 0.0391(6) 0.024(3) Uani 1 1 d . . .
C6 C 0.3225(10) 0.1178(7) 0.3161(8) 0.053(4) Uani 1 1 d . . .
H6A H 0.3160 0.1167 0.2671 0.063 Uiso 1 1 calc R . .
C6' C 0.3880(9) -0.1141(7) 0.4331(7) 0.050(4) Uani 1 1 d . . .
H6'A H 0.3835 -0.1497 0.4018 0.060 Uiso 1 1 calc R . .
C7' C 0.4050(9) -0.1263(8) 0.5032(7) 0.049(4) Uani 1 1 d . . .
H7'A H 0.4112 -0.1698 0.5196 0.059 Uiso 1 1 calc R . .
C7 C 0.3049(11) 0.1784(8) 0.3511(8) 0.068(5) Uani 1 1 d . . .
H7A H 0.2857 0.2163 0.3267 0.082 Uiso 1 1 calc R . .
C8 C 0.3178(13) 0.1775(8) 0.4232(9) 0.086(6) Uani 1 1 d . . .
H8A H 0.3057 0.2155 0.4487 0.103 Uiso 1 1 calc R . .
C8' C 0.4128(11) -0.0741(8) 0.5491(7) 0.061(5) Uani 1 1 d . . .
H8'A H 0.4261 -0.0819 0.5969 0.073 Uiso 1 1 calc R . .
C9' C 0.4010(9) -0.0094(7) 0.5250(7) 0.044(4) Uani 1 1 d . . .
H9'A H 0.4060 0.0268 0.5555 0.053 Uiso 1 1 calc R . .
C9 C 0.3479(10) 0.1220(7) 0.4583(8) 0.053(4) Uani 1 1 d . . .
H9A H 0.3589 0.1228 0.5070 0.063 Uiso 1 1 calc R . .
C10 C 0.3617(9) 0.0657(7) 0.4215(7) 0.039(3) Uani 1 1 d . . .
C10' C 0.3815(8) -0.0011(7) 0.4536(7) 0.039(3) Uani 1 1 d . . .
C11' C 0.2875(10) -0.4714(7) -0.1375(7) 0.047(4) Uani 1 1 d . . .
H11A H 0.2457 -0.4387 -0.1461 0.056 Uiso 1 1 calc R . .
C11 C 0.5992(11) -0.3780(11) -0.0903(9) 0.093(5) Uani 1 1 d U . .
H11B H 0.6056 -0.3332 -0.1011 0.112 Uiso 1 1 calc R . .
C12' C 0.2623(11) -0.5400(9) -0.1389(7) 0.063(5) Uani 1 1 d . . .
H12A H 0.2054 -0.5525 -0.1493 0.076 Uiso 1 1 calc R . .
C12 C 0.6687(12) -0.4154(12) -0.0568(10) 0.093(5) Uani 1 1 d U . .
H12B H 0.7188 -0.3943 -0.0392 0.112 Uiso 1 1 calc R . .
C13' C 0.3239(11) -0.5853(9) -0.1246(9) 0.068(5) Uani 1 1 d . . .
H13A H 0.3088 -0.6300 -0.1233 0.082 Uiso 1 1 calc R . .
C13 C 0.6598(13) -0.4812(12) -0.0514(10) 0.096(5) Uani 1 1 d U . .
H13B H 0.7070 -0.5066 -0.0352 0.115 Uiso 1 1 calc R . .
C14' C 0.4073(12) -0.5680(8) -0.1121(8) 0.070(5) Uani 1 1 d . . .
H14A H 0.4493 -0.6006 -0.1047 0.084 Uiso 1 1 calc R . .
C14 C 0.5850(11) -0.5116(11) -0.0687(9) 0.096(5) Uani 1 1 d U . .
H14B H 0.5791 -0.5573 -0.0623 0.115 Uiso 1 1 calc R . .
C15 C 0.5165(9) -0.4736(9) -0.0963(7) 0.051(4) Uani 1 1 d . . .
C15' C 0.4297(10) -0.5005(8) -0.1104(7) 0.052(4) Uani 1 1 d . . .
C16' C 0.5309(10) -0.3456(8) -0.2591(9) 0.060(5) Uani 1 1 d . . .
H16A H 0.5685 -0.3751 -0.2350 0.072 Uiso 1 1 calc R . .
C16 C 0.2539(9) -0.2885(8) -0.1316(7) 0.048(4) Uani 1 1 d . . .
H16B H 0.2440 -0.3160 -0.0937 0.058 Uiso 1 1 calc R . .
C17 C 0.2001(9) -0.2365(9) -0.1457(8) 0.062(5) Uani 1 1 d . . .
H17A H 0.1549 -0.2285 -0.1175 0.074 Uiso 1 1 calc R . .
C17' C 0.5502(10) -0.3218(10) -0.3240(9) 0.072(6) Uani 1 1 d . . .
H17B H 0.5999 -0.3359 -0.3439 0.087 Uiso 1 1 calc R . .
C18' C 0.4953(11) -0.2769(10) -0.3594(9) 0.077(6) Uani 1 1 d . . .
H18A H 0.5081 -0.2601 -0.4030 0.092 Uiso 1 1 calc R . .
C18 C 0.2129(11) -0.1950(9) -0.2028(9) 0.069(5) Uani 1 1 d . . .
H18B H 0.1774 -0.1587 -0.2140 0.083 Uiso 1 1 calc R . .
C19 C 0.2812(10) -0.2110(8) -0.2415(8) 0.058(4) Uani 1 1 d . . .
H19A H 0.2927 -0.1844 -0.2798 0.069 Uiso 1 1 calc R . .
C19' C 0.4220(10) -0.2577(9) -0.3295(8) 0.061(5) Uani 1 1 d . . .
H19B H 0.3835 -0.2284 -0.3528 0.074 Uiso 1 1 calc R . .
C20' C 0.4062(8) -0.2828(7) -0.2637(7) 0.038(3) Uani 1 1 d . . .
C20 C 0.3323(8) -0.2641(7) -0.2255(7) 0.038(3) Uani 1 1 d . . .
O1W O 0.5994(8) -0.1986(7) -0.1693(6) 0.099(4) Uani 1 1 d . . .
O2W O 0.1101(14) 0.0258(13) 0.2780(10) 0.086(8) Uani 0.50 1 d 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
Cu1 O25 1.925(7) . ?
Cu1 O28 1.958(7) 3_655 ?
Cu1 O34 1.969(7) 3_655 ?
Cu1 O34 1.984(6) . ?
Cu1 O27 2.370(7) 3_655 ?
Cu2 O30 1.948(7) . ?
Cu2 O27 1.956(7) 3_655 ?
Cu2 O29 1.968(7) . ?
Cu2 O26 1.985(7) 3_655 ?
Cu2 O34 2.333(7) . ?
Cu3 O28 1.951(7) . ?
Cu3 N1' 1.966(9) . ?
Cu3 N1 2.020(8) . ?
Cu3 O29 2.026(7) . ?
Cu3 O26 2.421(7) 3_655 ?
Cu4 O10 1.959(8) . ?
Cu4 N2 1.968(10) . ?
Cu4 N2' 2.001(10) . ?
Cu4 O20 2.087(7) . ?
Cu4 O15 2.335(7) . ?
Cu4 O14 2.361(7) . ?
Cu5 N4 1.981(11) . ?
Cu5 N4' 1.996(11) . ?
Cu5 N3 2.005(11) . ?
Cu5 N3' 2.033(11) . ?
Cu5 O9 2.100(7) . ?
Ge1 O31 1.734(6) . ?
Ge1 O32 1.741(6) . ?
Ge1 O34 1.748(7) . ?
Ge1 O33 1.749(7) . ?
W1 O1 1.705(7) . ?
W1 O13 1.848(7) . ?
W1 O12 1.867(7) . ?
W1 O14 1.905(7) . ?
W1 O10 2.040(7) . ?
W1 O31 2.386(7) . ?
W2 O2 1.702(7) . ?
W2 O25 1.772(7) . ?
W2 O24 1.935(7) . ?
W2 O19 1.987(7) . ?
W2 O13 2.045(7) . ?
W2 O31 2.269(6) . ?
W3 O3 1.697(7) . ?
W3 O26 1.818(7) . ?
W3 O19 1.879(7) . ?
W3 O20 1.983(7) . ?
W3 O14 2.019(7) . ?
W3 O31 2.337(7) . ?
W4 O4 1.728(7) . ?
W4 O11 1.855(7) . ?
W4 O16 1.864(7) . ?
W4 O15 1.922(7) . ?
W4 O10 1.989(7) . ?
W4 O32 2.359(7) . ?
W5 O5 1.702(7) . ?
W5 O27 1.799(7) . ?
W5 O21 1.897(7) . ?
W5 O20 2.001(7) . ?
W5 O15 2.008(7) . ?
W5 O32 2.317(7) . ?
W6 O6 1.692(7) . ?
W6 O28 1.879(7) . ?
W6 O22 1.909(7) . ?
W6 O16 1.943(7) . ?
W6 O21 1.958(7) . ?
W6 O32 2.288(7) . ?
W7 O7 1.706(8) . ?
W7 O18 1.848(7) . ?
W7 O17 1.881(8) . ?
W7 O12 1.961(7) . ?
W7 O11 1.965(7) . ?
W7 O33 2.394(7) . ?
W8 O8 1.689(7) . ?
W8 O29 1.877(8) . ?
W8 O23 1.879(7) . ?
W8 O22 1.909(7) . ?
W8 O17 1.960(8) . ?
W8 O33 2.341(7) . ?
W9 O9 1.723(7) . ?
W9 O30 1.775(7) . ?
W9 O24 1.889(7) . ?
W9 O23 1.987(7) . ?
W9 O18 2.037(7) . ?
W9 O33 2.233(7) . ?
O26 Cu2 1.985(7) 3_655 ?
O26 Cu3 2.421(7) 3_655 ?
O27 Cu2 1.956(7) 3_655 ?
O27 Cu1 2.370(7) 3_655 ?
O28 Cu1 1.958(7) 3_655 ?
O34 Cu1 1.969(7) 3_655 ?
N1 C1 1.324(13) . ?
N1 C5 1.346(13) . ?
N1' C1' 1.331(14) . ?
N1' C5' 1.332(14) . ?
N2' C10' 1.323(15) . ?
N2' C6' 1.371(16) . ?
N2 C6 1.316(15) . ?
N2 C10 1.360(14) . ?
N3' C11' 1.316(16) . ?
N3' C15' 1.359(16) . ?
N3 C15 1.314(18) . ?
N3 C11 1.319(19) . ?
N4 C16 1.328(15) . ?
N4 C20 1.339(16) . ?
N4' C16' 1.327(17) . ?
N4' C20' 1.347(16) . ?
C1 C2 1.392(15) . ?
C1 H1A 0.9300 . ?
C1' C2' 1.345(16) . ?
C1' H1'A 0.9300 . ?
C2' C3' 1.386(16) . ?
C2' H2'A 0.9300 . ?
C2 C3 1.336(17) . ?
C2 H2A 0.9300 . ?
C3 C4 1.398(18) . ?
C3 H3A 0.9300 . ?
C3' C4' 1.382(16) . ?
C3' H3'A 0.9300 . ?
C4 C5 1.336(15) . ?
C4 H4A 0.9300 . ?
C4' C5' 1.413(16) . ?
C4' H4'A 0.9300 . ?
C5' C5 1.493(15) . ?
C6 C7 1.424(19) . ?
C6 H6A 0.9300 . ?
C6' C7' 1.364(17) . ?
C6' H6'A 0.9300 . ?
C7' C8' 1.365(19) . ?
C7' H7'A 0.9300 . ?
C7 C8 1.37(2) . ?
C7 H7A 0.9300 . ?
C8 C9 1.36(2) . ?
C8 H8A 0.9300 . ?
C8' C9' 1.386(19) . ?
C8' H8'A 0.9300 . ?
C9' C10' 1.379(16) . ?
C9' H9'A 0.9300 . ?
C9 C10 1.354(17) . ?
C9 H9A 0.9300 . ?
C10 C10' 1.498(18) . ?
C11' C12' 1.433(19) . ?
C11' H11A 0.9300 . ?
C11 C12 1.43(2) . ?
C11 H11B 0.9300 . ?
C12' C13' 1.33(2) . ?
C12' H12A 0.9300 . ?
C12 C13 1.33(3) . ?
C12 H12B 0.9300 . ?
C13' C14' 1.35(2) . ?
C13' H13A 0.9300 . ?
C13 C14 1.34(2) . ?
C13 H13B 0.9300 . ?
C14' C15' 1.40(2) . ?
C14' H14A 0.9300 . ?
C14 C15 1.39(2) . ?
C14 H14B 0.9300 . ?
C15 C15' 1.46(2) . ?
C16' C17' 1.38(2) . ?
C16' H16A 0.9300 . ?
C16 C17 1.354(19) . ?
C16 H16B 0.9300 . ?
C17 C18 1.39(2) . ?
C17 H17A 0.9300 . ?
C17' C18' 1.38(2) . ?
C17' H17B 0.9300 . ?
C18' C19' 1.37(2) . ?
C18' H18A 0.9300 . ?
C18 C19 1.37(2) . ?
C18 H18B 0.9300 . ?
C19 C20 1.353(18) . ?
C19 H19A 0.9300 . ?
C19' C20' 1.388(18) . ?
C19' H19B 0.9300 . ?
C20' C20 1.454(18) . ?

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
O25 Cu1 O28 90.0(3) . 3_655 ?
O25 Cu1 O34 170.8(3) . 3_655 ?
O28 Cu1 O34 94.5(3) 3_655 3_655 ?
O25 Cu1 O34 96.7(3) . . ?
O28 Cu1 O34 171.4(3) 3_655 . ?
O34 Cu1 O34 78.1(3) 3_655 . ?
O25 Cu1 O27 98.9(3) . 3_655 ?
O28 Cu1 O27 99.7(3) 3_655 3_655 ?
O34 Cu1 O27 88.3(3) 3_655 3_655 ?
O34 Cu1 O27 84.5(3) . 3_655 ?
O30 Cu2 O27 92.5(3) . 3_655 ?
O30 Cu2 O29 94.3(3) . . ?
O27 Cu2 O29 171.2(3) 3_655 . ?
O30 Cu2 O26 178.9(3) . 3_655 ?
O27 Cu2 O26 86.4(3) 3_655 3_655 ?
O29 Cu2 O26 86.8(3) . 3_655 ?
O30 Cu2 O34 89.1(3) . . ?
O27 Cu2 O34 86.1(3) 3_655 . ?
O29 Cu2 O34 88.4(3) . . ?
O26 Cu2 O34 91.0(3) 3_655 . ?
O28 Cu3 N1' 170.0(3) . . ?
O28 Cu3 N1 93.0(3) . . ?
N1' Cu3 N1 80.9(4) . . ?
O28 Cu3 O29 90.5(3) . . ?
N1' Cu3 O29 93.2(3) . . ?
N1 Cu3 O29 163.0(3) . . ?
O28 Cu3 O26 90.6(3) . 3_655 ?
N1' Cu3 O26 99.3(3) . 3_655 ?
N1 Cu3 O26 121.8(3) . 3_655 ?
O29 Cu3 O26 74.7(3) . 3_655 ?
O10 Cu4 N2 172.5(4) . . ?
O10 Cu4 N2' 92.5(4) . . ?
N2 Cu4 N2' 80.5(4) . . ?
O10 Cu4 O20 91.5(3) . . ?
N2 Cu4 O20 94.8(4) . . ?
N2' Cu4 O20 166.8(4) . . ?
O10 Cu4 O15 73.2(3) . . ?
N2 Cu4 O15 104.9(4) . . ?
N2' Cu4 O15 96.7(3) . . ?
O20 Cu4 O15 72.5(3) . . ?
O10 Cu4 O14 71.7(3) . . ?
N2 Cu4 O14 114.2(4) . . ?
N2' Cu4 O14 121.9(3) . . ?
O20 Cu4 O14 71.3(3) . . ?
O15 Cu4 O14 127.9(3) . . ?
N4 Cu5 N4' 81.0(4) . . ?
N4 Cu5 N3 171.6(5) . . ?
N4' Cu5 N3 97.6(5) . . ?
N4 Cu5 N3' 107.0(4) . . ?
N4' Cu5 N3' 126.4(4) . . ?
N3 Cu5 N3' 80.5(5) . . ?
N4 Cu5 O9 84.6(4) . . ?
N4' Cu5 O9 129.4(4) . . ?
N3 Cu5 O9 90.0(4) . . ?
N3' Cu5 O9 104.2(3) . . ?
O31 Ge1 O32 106.8(3) . . ?
O31 Ge1 O34 112.2(3) . . ?
O32 Ge1 O34 110.7(3) . . ?
O31 Ge1 O33 108.4(3) . . ?
O32 Ge1 O33 107.5(3) . . ?
O34 Ge1 O33 111.0(3) . . ?
O1 W1 O13 101.8(3) . . ?
O1 W1 O12 100.7(3) . . ?
O13 W1 O12 91.1(3) . . ?
O1 W1 O14 99.7(3) . . ?
O13 W1 O14 92.8(3) . . ?
O12 W1 O14 158.0(3) . . ?
O1 W1 O10 101.8(3) . . ?
O13 W1 O10 156.3(3) . . ?
O12 W1 O10 87.3(3) . . ?
O14 W1 O10 80.5(3) . . ?
O1 W1 O31 171.2(3) . . ?
O13 W1 O31 72.8(3) . . ?
O12 W1 O31 86.5(3) . . ?
O14 W1 O31 74.1(3) . . ?
O10 W1 O31 83.5(2) . . ?
O2 W2 O25 105.0(3) . . ?
O2 W2 O24 100.6(3) . . ?
O25 W2 O24 93.4(3) . . ?
O2 W2 O19 98.7(3) . . ?
O25 W2 O19 91.7(3) . . ?
O24 W2 O19 158.0(3) . . ?
O2 W2 O13 95.7(3) . . ?
O25 W2 O13 159.0(3) . . ?
O24 W2 O13 86.2(3) . . ?
O19 W2 O13 81.5(3) . . ?
O2 W2 O31 165.8(3) . . ?
O25 W2 O31 86.8(3) . . ?
O24 W2 O31 86.2(3) . . ?
O19 W2 O31 72.8(3) . . ?
O13 W2 O31 72.2(3) . . ?
O3 W3 O26 103.0(3) . . ?
O3 W3 O19 100.8(3) . . ?
O26 W3 O19 94.4(3) . . ?
O3 W3 O20 102.1(3) . . ?
O26 W3 O20 90.4(3) . . ?
O19 W3 O20 154.9(3) . . ?
O3 W3 O14 94.2(3) . . ?
O26 W3 O14 162.1(3) . . ?
O19 W3 O14 87.0(3) . . ?
O20 W3 O14 81.1(3) . . ?
O3 W3 O31 166.1(3) . . ?
O26 W3 O31 90.0(3) . . ?
O19 W3 O31 73.0(3) . . ?
O20 W3 O31 82.4(3) . . ?
O14 W3 O31 73.3(3) . . ?
O4 W4 O11 103.0(3) . . ?
O4 W4 O16 100.8(3) . . ?
O11 W4 O16 90.5(3) . . ?
O4 W4 O15 99.1(3) . . ?
O11 W4 O15 157.6(3) . . ?
O16 W4 O15 88.9(3) . . ?
O4 W4 O10 101.9(3) . . ?
O11 W4 O10 89.5(3) . . ?
O16 W4 O10 156.7(3) . . ?
O15 W4 O10 82.4(3) . . ?
O4 W4 O32 168.9(3) . . ?
O11 W4 O32 86.0(3) . . ?
O16 W4 O32 72.2(3) . . ?
O15 W4 O32 72.5(3) . . ?
O10 W4 O32 84.5(2) . . ?
O5 W5 O27 103.8(3) . . ?
O5 W5 O21 102.3(3) . . ?
O27 W5 O21 94.8(3) . . ?
O5 W5 O20 100.5(3) . . ?
O27 W5 O20 88.4(3) . . ?
O21 W5 O20 155.5(3) . . ?
O5 W5 O15 96.1(3) . . ?
O27 W5 O15 159.0(3) . . ?
O21 W5 O15 87.0(3) . . ?
O20 W5 O15 81.7(3) . . ?
O5 W5 O32 167.0(3) . . ?
O27 W5 O32 88.6(3) . . ?
O21 W5 O32 72.2(3) . . ?
O20 W5 O32 83.6(3) . . ?
O15 W5 O32 72.1(3) . . ?
O6 W6 O28 103.5(3) . . ?
O6 W6 O22 101.1(3) . . ?
O28 W6 O22 87.6(3) . . ?
O6 W6 O16 97.4(3) . . ?
O28 W6 O16 159.0(3) . . ?
O22 W6 O16 89.2(3) . . ?
O6 W6 O21 100.3(3) . . ?
O28 W6 O21 89.4(3) . . ?
O22 W6 O21 158.5(3) . . ?
O16 W6 O21 85.9(3) . . ?
O6 W6 O32 167.4(3) . . ?
O28 W6 O32 86.5(3) . . ?
O22 W6 O32 86.7(3) . . ?
O16 W6 O32 72.6(3) . . ?
O21 W6 O32 71.9(3) . . ?
O7 W7 O18 102.1(3) . . ?
O7 W7 O17 101.1(4) . . ?
O18 W7 O17 93.0(3) . . ?
O7 W7 O12 102.7(3) . . ?
O18 W7 O12 88.8(3) . . ?
O17 W7 O12 155.1(3) . . ?
O7 W7 O11 102.0(3) . . ?
O18 W7 O11 155.8(3) . . ?
O17 W7 O11 84.6(3) . . ?
O12 W7 O11 83.6(3) . . ?
O7 W7 O33 171.3(3) . . ?
O18 W7 O33 72.7(3) . . ?
O17 W7 O33 72.7(3) . . ?
O12 W7 O33 84.3(3) . . ?
O11 W7 O33 83.7(2) . . ?
O8 W8 O29 103.8(3) . . ?
O8 W8 O23 101.6(3) . . ?
O29 W8 O23 91.3(3) . . ?
O8 W8 O22 100.8(3) . . ?
O29 W8 O22 87.4(3) . . ?
O23 W8 O22 157.2(3) . . ?
O8 W8 O17 99.3(3) . . ?
O29 W8 O17 156.8(3) . . ?
O23 W8 O17 85.8(3) . . ?
O22 W8 O17 86.5(3) . . ?
O8 W8 O33 170.4(3) . . ?
O29 W8 O33 84.5(3) . . ?
O23 W8 O33 73.0(3) . . ?
O22 W8 O33 84.2(3) . . ?
O17 W8 O33 72.6(3) . . ?
O9 W9 O30 104.0(3) . . ?
O9 W9 O24 102.7(3) . . ?
O30 W9 O24 95.8(3) . . ?
O9 W9 O23 96.1(3) . . ?
O30 W9 O23 87.3(3) . . ?
O24 W9 O23 159.5(3) . . ?
O9 W9 O18 94.5(3) . . ?
O30 W9 O18 159.3(3) . . ?
O24 W9 O18 88.8(3) . . ?
O23 W9 O18 81.6(3) . . ?
O9 W9 O33 164.9(3) . . ?
O30 W9 O33 86.9(3) . . ?
O24 W9 O33 86.2(3) . . ?
O23 W9 O33 73.7(3) . . ?
O18 W9 O33 73.2(3) . . ?
W9 O9 Cu5 148.1(4) . . ?
Cu4 O10 W4 106.0(3) . . ?
Cu4 O10 W1 107.7(3) . . ?
W4 O10 W1 143.3(4) . . ?
W4 O11 W7 154.6(4) . . ?
W1 O12 W7 156.2(4) . . ?
W1 O13 W2 121.4(3) . . ?
W1 O14 W3 120.1(4) . . ?
W1 O14 Cu4 97.8(3) . . ?
W3 O14 Cu4 97.0(3) . . ?
W4 O15 W5 121.2(4) . . ?
W4 O15 Cu4 95.1(3) . . ?
W5 O15 Cu4 97.2(3) . . ?
W4 O16 W6 123.0(4) . . ?
W7 O17 W8 123.2(4) . . ?
W7 O18 W9 120.4(4) . . ?
W3 O19 W2 120.1(4) . . ?
W3 O20 W5 144.1(4) . . ?
W3 O20 Cu4 107.7(3) . . ?
W5 O20 Cu4 105.9(3) . . ?
W5 O21 W6 121.8(4) . . ?
W6 O22 W8 154.2(4) . . ?
W8 O23 W9 118.9(4) . . ?
W9 O24 W2 150.4(4) . . ?
W2 O25 Cu1 144.8(4) . . ?
W3 O26 Cu2 139.9(4) . 3_655 ?
W3 O26 Cu3 115.7(3) . 3_655 ?
Cu2 O26 Cu3 92.0(3) 3_655 3_655 ?
W5 O27 Cu2 140.3(4) . 3_655 ?
W5 O27 Cu1 124.5(3) . 3_655 ?
Cu2 O27 Cu1 93.8(3) 3_655 3_655 ?
W6 O28 Cu3 115.6(3) . . ?
W6 O28 Cu1 135.1(4) . 3_655 ?
Cu3 O28 Cu1 106.3(3) . 3_655 ?
W8 O29 Cu2 136.6(4) . . ?
W8 O29 Cu3 115.8(3) . . ?
Cu2 O29 Cu3 105.8(3) . . ?
W9 O30 Cu2 141.9(4) . . ?
Ge1 O31 W2 119.5(3) . . ?
Ge1 O31 W3 125.2(4) . . ?
W2 O31 W3 93.3(2) . . ?
Ge1 O31 W1 124.5(3) . . ?
W2 O31 W1 93.7(2) . . ?
W3 O31 W1 92.1(2) . . ?
Ge1 O32 W6 121.1(3) . . ?
Ge1 O32 W5 122.5(3) . . ?
W6 O32 W5 94.1(2) . . ?
Ge1 O32 W4 124.7(4) . . ?
W6 O32 W4 92.1(2) . . ?
W5 O32 W4 94.1(2) . . ?
Ge1 O33 W9 121.9(3) . . ?
Ge1 O33 W8 123.4(3) . . ?
W9 O33 W8 93.4(3) . . ?
Ge1 O33 W7 124.8(3) . . ?
W9 O33 W7 93.6(2) . . ?
W8 O33 W7 91.1(2) . . ?
Ge1 O34 Cu1 120.8(3) . 3_655 ?
Ge1 O34 Cu1 121.6(4) . . ?
Cu1 O34 Cu1 101.9(3) 3_655 . ?
Ge1 O34 Cu2 116.4(3) . . ?
Cu1 O34 Cu2 96.2(3) 3_655 . ?
Cu1 O34 Cu2 94.2(3) . . ?
C1 N1 C5 120.1(10) . . ?
C1 N1 Cu3 125.2(8) . . ?
C5 N1 Cu3 114.1(7) . . ?
C1' N1' C5' 118.7(10) . . ?
C1' N1' Cu3 125.9(8) . . ?
C5' N1' Cu3 115.4(8) . . ?
C10' N2' C6' 117.6(12) . . ?
C10' N2' Cu4 114.6(9) . . ?
C6' N2' Cu4 126.9(9) . . ?
C6 N2 C10 119.0(11) . . ?
C6 N2 Cu4 125.8(9) . . ?
C10 N2 Cu4 115.0(8) . . ?
C11' N3' C15' 119.8(13) . . ?
C11' N3' Cu5 126.1(9) . . ?
C15' N3' Cu5 113.0(10) . . ?
C15 N3 C11 122.6(15) . . ?
C15 N3 Cu5 114.7(10) . . ?
C11 N3 Cu5 122.6(14) . . ?
C16 N4 C20 118.3(13) . . ?
C16 N4 Cu5 125.8(10) . . ?
C20 N4 Cu5 114.6(9) . . ?
C16' N4' C20' 119.8(13) . . ?
C16' N4' Cu5 126.3(11) . . ?
C20' N4' Cu5 113.9(9) . . ?
N1 C1 C2 119.5(11) . . ?
N1 C1 H1A 120.3 . . ?
C2 C1 H1A 120.3 . . ?
N1' C1' C2' 123.1(12) . . ?
N1' C1' H1'A 118.4 . . ?
C2' C1' H1'A 118.4 . . ?
C1' C2' C3' 119.6(12) . . ?
C1' C2' H2'A 120.2 . . ?
C3' C2' H2'A 120.2 . . ?
C3 C2 C1 120.6(12) . . ?
C3 C2 H2A 119.7 . . ?
C1 C2 H2A 119.7 . . ?
C2 C3 C4 119.0(12) . . ?
C2 C3 H3A 120.5 . . ?
C4 C3 H3A 120.5 . . ?
C4' C3' C2' 118.9(11) . . ?
C4' C3' H3'A 120.5 . . ?
C2' C3' H3'A 120.5 . . ?
C5 C4 C3 118.7(12) . . ?
C5 C4 H4A 120.7 . . ?
C3 C4 H4A 120.7 . . ?
C3' C4' C5' 117.6(11) . . ?
C3' C4' H4'A 121.2 . . ?
C5' C4' H4'A 121.2 . . ?
N1' C5' C4' 121.8(11) . . ?
N1' C5' C5 115.4(10) . . ?
C4' C5' C5 122.8(11) . . ?
C4 C5 N1 122.1(11) . . ?
C4 C5 C5' 125.3(11) . . ?
N1 C5 C5' 112.5(9) . . ?
N2 C6 C7 122.6(14) . . ?
N2 C6 H6A 118.7 . . ?
C7 C6 H6A 118.7 . . ?
C7' C6' N2' 121.6(14) . . ?
C7' C6' H6'A 119.2 . . ?
N2' C6' H6'A 119.2 . . ?
C6' C7' C8' 119.4(14) . . ?
C6' C7' H7'A 120.3 . . ?
C8' C7' H7'A 120.3 . . ?
C8 C7 C6 116.0(14) . . ?
C8 C7 H7A 122.0 . . ?
C6 C7 H7A 122.0 . . ?
C9 C8 C7 121.3(15) . . ?
C9 C8 H8A 119.3 . . ?
C7 C8 H8A 119.3 . . ?
C7' C8' C9' 120.3(13) . . ?
C7' C8' H8'A 119.9 . . ?
C9' C8' H8'A 119.9 . . ?
C10' C9' C8' 117.0(13) . . ?
C10' C9' H9'A 121.5 . . ?
C8' C9' H9'A 121.5 . . ?
C10 C9 C8 119.4(14) . . ?
C10 C9 H9A 120.3 . . ?
C8 C9 H9A 120.3 . . ?
C9 C10 N2 121.5(13) . . ?
C9 C10 C10' 125.0(13) . . ?
N2 C10 C10' 113.0(11) . . ?
N2' C10' C9' 124.0(13) . . ?
N2' C10' C10 113.8(11) . . ?
C9' C10' C10 122.2(12) . . ?
N3' C11' C12' 121.7(14) . . ?
N3' C11' H11A 119.2 . . ?
C12' C11' H11A 119.2 . . ?
N3 C11 C12 118(2) . . ?
N3 C11 H11B 121.1 . . ?
C12 C11 H11B 121.1 . . ?
C13' C12' C11' 117.3(16) . . ?
C13' C12' H12A 121.3 . . ?
C11' C12' H12A 121.3 . . ?
C13 C12 C11 118(2) . . ?
C13 C12 H12B 120.8 . . ?
C11 C12 H12B 120.8 . . ?
C12' C13' C14' 122.0(17) . . ?
C12' C13' H13A 119.0 . . ?
C14' C13' H13A 119.0 . . ?
C12 C13 C14 122(2) . . ?
C12 C13 H13B 119.1 . . ?
C14 C13 H13B 119.1 . . ?
C13' C14' C15' 119.2(16) . . ?
C13' C14' H14A 120.4 . . ?
C15' C14' H14A 120.4 . . ?
C13 C14 C15 118(2) . . ?
C13 C14 H14B 120.8 . . ?
C15 C14 H14B 120.8 . . ?
N3 C15 C14 120.3(17) . . ?
N3 C15 C15' 116.5(13) . . ?
C14 C15 C15' 122.9(18) . . ?
N3' C15' C14' 119.9(15) . . ?
N3' C15' C15 114.1(14) . . ?
C14' C15' C15 126.0(15) . . ?
N4' C16' C17' 121.1(15) . . ?
N4' C16' H16A 119.4 . . ?
C17' C16' H16A 119.4 . . ?
N4 C16 C17 123.1(14) . . ?
N4 C16 H16B 118.4 . . ?
C17 C16 H16B 118.4 . . ?
C16 C17 C18 119.6(15) . . ?
C16 C17 H17A 120.2 . . ?
C18 C17 H17A 120.2 . . ?
C16' C17' C18' 119.7(15) . . ?
C16' C17' H17B 120.2 . . ?
C18' C17' H17B 120.2 . . ?
C19' C18' C17' 119.1(17) . . ?
C19' C18' H18A 120.4 . . ?
C17' C18' H18A 120.4 . . ?
C19 C18 C17 115.9(16) . . ?
C19 C18 H18B 122.1 . . ?
C17 C18 H18B 122.1 . . ?
C20 C19 C18 122.0(16) . . ?
C20 C19 H19A 119.0 . . ?
C18 C19 H19A 119.0 . . ?
C18' C19' C20' 118.6(17) . . ?
C18' C19' H19B 120.7 . . ?
C20' C19' H19B 120.7 . . ?
N4' C20' C19' 121.5(14) . . ?
N4' C20' C20 114.8(12) . . ?
C19' C20' C20 123.7(14) . . ?
N4 C20 C19 121.0(14) . . ?
N4 C20 C20' 114.4(12) . . ?
C19 C20 C20' 124.5(14) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.032
_refine_diff_density_min         -1.536
_refine_diff_density_rms         0.272

# Attachment '2.cif'

data_njy2
_database_code_depnum_ccdc_archive 'CCDC 673250'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C96 H68 Cu10 Ge2 N16 O70 W18'
_chemical_formula_weight         6655.54

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'
Cu Cu 0.3201 1.2651 '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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   16.3328(18)
_cell_length_b                   20.719(2)
_cell_length_c                   18.566(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.293(2)
_cell_angle_gamma                90.00
_cell_volume                     6277.8(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    250
_cell_measurement_theta_min      2.5
_cell_measurement_theta_max      25

_exptl_crystal_description       Block
_exptl_crystal_colour            Green
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.521
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6004
_exptl_absorpt_coefficient_mu    18.640
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.2336
_exptl_absorpt_correction_T_max  0.2572
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  'Bruker Apex-2 CCD'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            31560
_diffrn_reflns_av_R_equivalents  0.0941
_diffrn_reflns_av_sigmaI/netI    0.0955
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.20
_diffrn_reflns_theta_max         25.00
_reflns_number_total             10866
_reflns_number_gt                7143
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Apex2 (Bruker, 2005)'
_computing_cell_refinement       'Saint (Bruker, 2005)'
_computing_data_reduction        Saint
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997a)'
_computing_publication_material  SHELXTL

_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.
The O10, O11, O12 and C5 atoms are non-positive-definite, the order of
ISOR is added for them.
;

_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)+(0.0312P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10866
_refine_ls_number_parameters     955
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0468
_refine_ls_wR_factor_ref         0.1015
_refine_ls_wR_factor_gt          0.0921
_refine_ls_goodness_of_fit_ref   0.885
_refine_ls_restrained_S_all      0.886
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 1.00714(3) 1.11864(3) 0.29672(3) 0.03813(14) Uani 1 1 d . . .
W2 W 1.00355(3) 1.26570(3) 0.17952(3) 0.03858(14) Uani 1 1 d . . .
W3 W 0.80991(3) 1.16990(3) 0.19434(3) 0.03791(14) Uani 1 1 d . . .
W4 W 0.99018(3) 0.96774(3) 0.22160(3) 0.03459(13) Uani 1 1 d . . .
W5 W 1.15755(3) 1.05786(3) 0.19948(3) 0.03554(13) Uani 1 1 d . . .
W6 W 1.15667(3) 1.20601(3) 0.08684(3) 0.03438(13) Uani 1 1 d . . .
W7 W 0.98235(3) 1.24660(3) -0.00305(3) 0.03661(14) Uani 1 1 d . . .
W8 W 0.79617(3) 1.14789(3) 0.01357(3) 0.03583(13) Uani 1 1 d . . .
W9 W 0.78981(3) 1.01854(3) 0.12395(3) 0.03372(13) Uani 1 1 d . . .
Ge1 Ge 0.98113(7) 1.10347(6) 0.10085(6) 0.0294(3) Uani 1 1 d . . .
Cu1 Cu 0.92231(8) 1.02105(7) -0.04241(8) 0.0331(4) Uani 1 1 d . . .
Cu2 Cu 0.91953(8) 0.89516(7) 0.05777(8) 0.0315(4) Uani 1 1 d . . .
Cu3 Cu 1.23456(9) 1.06762(8) 0.03924(8) 0.0377(4) Uani 1 1 d . . .
Cu4 Cu 0.83479(10) 1.04109(8) 0.28916(9) 0.0460(4) Uani 1 1 d . . .
Cu5 Cu 1.28693(11) 1.08161(9) 0.34823(9) 0.0512(5) Uani 1 1 d . . .
O1 O 1.0025(6) 1.1417(4) 0.3832(5) 0.049(3) Uani 1 1 d . . .
O2 O 0.9965(5) 1.3315(5) 0.2321(5) 0.060(3) Uani 1 1 d . . .
O3 O 0.7503(5) 1.2066(5) 0.2537(5) 0.053(3) Uani 1 1 d . . .
O4 O 0.9753(5) 0.8988(4) 0.2725(5) 0.044(2) Uani 1 1 d . . .
O5 O 1.2565(5) 1.0421(4) 0.2313(4) 0.043(2) Uani 1 1 d . . .
O6 O 1.2557(5) 1.2342(4) 0.0842(5) 0.048(3) Uani 1 1 d . . .
O7 O 0.9655(5) 1.3115(4) -0.0614(5) 0.050(3) Uani 1 1 d . . .
O8 O 0.7194(5) 1.1770(4) -0.0419(5) 0.045(2) Uani 1 1 d . . .
O9 O 0.7106(5) 0.9666(5) 0.1441(5) 0.053(3) Uani 1 1 d . . .
O10 O 1.0296(4) 1.1984(3) 0.2495(3) 0.0160(16) Uani 1 1 d U . .
O11 O 0.8911(5) 1.2315(4) 0.1814(5) 0.050(2) Uani 1 1 d U . .
O12 O 0.8842(5) 1.1217(4) 0.2650(4) 0.039(2) Uani 1 1 d U . .
O13 O 0.9801(5) 1.0293(4) 0.3054(4) 0.033(2) Uani 1 1 d . . .
O14 O 1.1196(5) 1.0953(4) 0.2881(4) 0.045(2) Uani 1 1 d . . .
O15 O 1.1152(5) 1.2622(4) 0.1629(4) 0.038(2) Uani 1 1 d . . .
O16 O 0.9767(5) 1.2998(4) 0.0890(4) 0.036(2) Uani 1 1 d . . .
O17 O 0.7593(4) 1.1893(4) 0.1050(4) 0.039(2) Uani 1 1 d . . .
O18 O 0.7605(4) 1.0856(4) 0.1961(4) 0.032(2) Uani 1 1 d . . .
O19 O 1.1061(5) 0.9776(4) 0.2309(4) 0.036(2) Uani 1 1 d . . .
O20 O 1.1688(5) 1.1412(4) 0.1639(5) 0.044(2) Uani 1 1 d . . .
O21 O 1.1013(5) 1.2597(4) 0.0203(5) 0.042(2) Uani 1 1 d . . .
O22 O 0.8731(5) 1.2184(4) 0.0127(4) 0.039(2) Uani 1 1 d . . .
O23 O 0.7382(5) 1.0714(4) 0.0528(5) 0.042(2) Uani 1 1 d . . .
O24 O 0.8742(5) 0.9986(4) 0.2007(4) 0.039(2) Uani 1 1 d . . .
O25 O 0.9899(4) 0.9383(4) 0.1300(4) 0.038(2) Uani 1 1 d . . .
O26 O 1.1574(4) 1.0264(4) 0.1062(4) 0.037(2) Uani 1 1 d . . .
O27 O 1.1570(4) 1.1383(4) 0.0187(4) 0.034(2) Uani 1 1 d . . .
O28 O 1.0107(5) 1.1809(4) -0.0609(4) 0.041(2) Uani 1 1 d . . .
O29 O 0.8518(4) 1.0975(4) -0.0429(4) 0.038(2) Uani 1 1 d . . .
O30 O 0.8465(5) 0.9715(4) 0.0578(4) 0.034(2) Uani 1 1 d . . .
O31 O 1.0231(5) 1.0696(4) 0.1822(4) 0.038(2) Uani 1 1 d . . .
O32 O 1.0196(5) 1.1820(4) 0.0934(4) 0.030(2) Uani 1 1 d . . .
O33 O 0.8758(5) 1.1067(4) 0.1081(4) 0.031(2) Uani 1 1 d . . .
O34 O 1.0069(4) 1.0552(4) 0.0287(4) 0.032(2) Uani 1 1 d . . .
N1 N 1.3255(6) 1.1161(5) -0.0059(6) 0.045(3) Uani 1 1 d . . .
N2 N 1.3275(6) 1.0143(5) 0.0788(6) 0.044(3) Uani 1 1 d . . .
N3 N 0.7787(6) 0.9605(5) 0.3162(6) 0.043(3) Uani 1 1 d . . .
N4 N 0.7711(7) 1.0779(6) 0.3683(6) 0.052(3) Uani 1 1 d . . .
N5 N 1.4100(7) 1.0664(7) 0.3217(6) 0.059(4) Uani 1 1 d . . .
N6 N 1.3095(7) 1.1692(6) 0.3115(6) 0.052(3) Uani 1 1 d . . .
N7 N 1.2170(7) 1.1072(6) 0.4320(6) 0.050(3) Uani 1 1 d . . .
N8 N 1.2497(7) 0.9953(6) 0.3734(6) 0.055(3) Uani 1 1 d . . .
C1 C 1.3208(9) 1.1663(8) -0.0538(9) 0.070(5) Uani 1 1 d . . .
H1A H 1.2702 1.1796 -0.0732 0.084 Uiso 1 1 calc R . .
C2 C 1.3908(9) 1.1969(8) -0.0729(9) 0.076(5) Uani 1 1 d . . .
H2A H 1.3867 1.2289 -0.1080 0.091 Uiso 1 1 calc R . .
C3 C 1.4665(10) 1.1826(9) -0.0431(10) 0.080(6) Uani 1 1 d . . .
H3A H 1.5125 1.2067 -0.0536 0.097 Uiso 1 1 calc R . .
C4 C 1.4716(8) 1.1284(9) 0.0056(8) 0.061(5) Uani 1 1 d . . .
C5 C 1.3987(7) 1.0980(7) 0.0226(7) 0.040(3) Uani 1 1 d U . .
C6 C 1.5457(9) 1.1051(8) 0.0380(10) 0.071(5) Uani 1 1 d . . .
H6A H 1.5943 1.1269 0.0302 0.085 Uiso 1 1 calc R . .
C7 C 1.5474(9) 1.0524(9) 0.0797(10) 0.079(6) Uani 1 1 d . . .
H7A H 1.5971 1.0382 0.1002 0.094 Uiso 1 1 calc R . .
C8 C 1.4753(8) 1.0183(8) 0.0929(7) 0.053(4) Uani 1 1 d . . .
C9 C 1.4016(7) 1.0422(7) 0.0676(7) 0.045(4) Uani 1 1 d . . .
C10 C 1.4715(8) 0.9632(9) 0.1345(8) 0.061(5) Uani 1 1 d . . .
H10A H 1.5193 0.9474 0.1570 0.073 Uiso 1 1 calc R . .
C11 C 1.3982(9) 0.9307(9) 0.1439(8) 0.074(5) Uani 1 1 d . . .
H11A H 1.3968 0.8913 0.1678 0.089 Uiso 1 1 calc R . .
C12 C 1.3271(10) 0.9598(7) 0.1159(8) 0.057(4) Uani 1 1 d . . .
H12A H 1.2770 0.9401 0.1236 0.068 Uiso 1 1 calc R . .
C13 C 0.7855(8) 0.9028(7) 0.2910(8) 0.052(4) Uani 1 1 d . . .
H13A H 0.8202 0.8959 0.2532 0.062 Uiso 1 1 calc R . .
C14 C 0.7424(10) 0.8494(7) 0.3183(9) 0.071(5) Uani 1 1 d . . .
H14A H 0.7491 0.8084 0.2990 0.086 Uiso 1 1 calc R . .
C15 C 0.6902(9) 0.8590(7) 0.3742(8) 0.059(4) Uani 1 1 d . . .
H15A H 0.6626 0.8246 0.3944 0.071 Uiso 1 1 calc R . .
C16 C 0.6801(7) 0.9223(6) 0.3995(7) 0.041(4) Uani 1 1 d . . .
C17 C 0.7259(7) 0.9702(7) 0.3713(7) 0.043(4) Uani 1 1 d . . .
C18 C 0.6245(8) 0.9360(7) 0.4589(7) 0.049(4) Uani 1 1 d . . .
H18A H 0.5960 0.9034 0.4815 0.059 Uiso 1 1 calc R . .
C19 C 0.6173(8) 0.9997(8) 0.4786(7) 0.054(4) Uani 1 1 d . . .
H19A H 0.5782 1.0108 0.5115 0.065 Uiso 1 1 calc R . .
C20 C 0.6656(8) 1.0478(7) 0.4516(7) 0.044(4) Uani 1 1 d . . .
C21 C 0.7208(8) 1.0337(7) 0.3983(7) 0.046(4) Uani 1 1 d . . .
C22 C 0.6622(9) 1.1143(8) 0.4723(8) 0.062(5) Uani 1 1 d . . .
H22A H 0.6267 1.1278 0.5072 0.074 Uiso 1 1 calc R . .
C23 C 0.7130(9) 1.1584(9) 0.4392(8) 0.071(5) Uani 1 1 d . . .
H23A H 0.7104 1.2020 0.4511 0.085 Uiso 1 1 calc R . .
C24 C 0.7672(9) 1.1378(7) 0.3887(7) 0.055(4) Uani 1 1 d . . .
H24A H 0.8020 1.1677 0.3686 0.066 Uiso 1 1 calc R . .
C25 C 1.4546(9) 1.0098(8) 0.3243(8) 0.061(5) Uani 1 1 d . . .
H25A H 1.4326 0.9717 0.3416 0.073 Uiso 1 1 calc R . .
C26 C 1.5319(9) 1.0123(9) 0.3003(8) 0.071(5) Uani 1 1 d . . .
H26A H 1.5641 0.9754 0.3056 0.085 Uiso 1 1 calc R . .
C27 C 1.5659(10) 1.0647(11) 0.2692(9) 0.087(7) Uani 1 1 d . . .
H27A H 1.6180 1.0624 0.2509 0.105 Uiso 1 1 calc R . .
C28 C 1.5209(9) 1.1228(8) 0.2650(9) 0.063(5) Uani 1 1 d . . .
C29 C 1.4393(8) 1.1207(8) 0.2931(7) 0.051(4) Uani 1 1 d . . .
C30 C 1.5495(11) 1.1829(11) 0.2422(11) 0.093(7) Uani 1 1 d . . .
H30A H 1.6027 1.1869 0.2266 0.112 Uiso 1 1 calc R . .
C31 C 1.5010(11) 1.2339(12) 0.2430(11) 0.106(8) Uani 1 1 d . . .
H31A H 1.5215 1.2725 0.2256 0.128 Uiso 1 1 calc R . .
C32 C 1.4182(10) 1.2344(9) 0.2688(9) 0.073(5) Uani 1 1 d . . .
C33 C 1.3875(9) 1.1752(7) 0.2907(8) 0.053(4) Uani 1 1 d . . .
C34 C 1.3687(11) 1.2906(10) 0.2691(11) 0.090(6) Uani 1 1 d . . .
H34A H 1.3882 1.3312 0.2571 0.108 Uiso 1 1 calc R . .
C35 C 1.2895(11) 1.2801(8) 0.2885(10) 0.082(6) Uani 1 1 d . . .
H35A H 1.2541 1.3153 0.2887 0.099 Uiso 1 1 calc R . .
C36 C 1.2586(11) 1.2197(9) 0.3081(9) 0.071(5) Uani 1 1 d . . .
H36A H 1.2037 1.2149 0.3185 0.085 Uiso 1 1 calc R . .
C37 C 1.2082(8) 1.1653(8) 0.4636(7) 0.053(4) Uani 1 1 d . . .
H37A H 1.2376 1.2006 0.4480 0.063 Uiso 1 1 calc R . .
C38 C 1.1545(11) 1.1721(10) 0.5201(8) 0.077(6) Uani 1 1 d . . .
H38A H 1.1477 1.2123 0.5413 0.093 Uiso 1 1 calc R . .
C39 C 1.1138(11) 1.1221(12) 0.5433(10) 0.090(7) Uani 1 1 d . . .
H39A H 1.0779 1.1276 0.5805 0.108 Uiso 1 1 calc R . .
C40 C 1.1227(9) 1.0635(9) 0.5148(7) 0.059(5) Uani 1 1 d . . .
C41 C 1.1771(8) 1.0567(8) 0.4579(7) 0.050(4) Uani 1 1 d . . .
C42 C 1.0868(9) 1.0039(11) 0.5383(9) 0.087(7) Uani 1 1 d . . .
H42A H 1.0514 1.0058 0.5763 0.105 Uiso 1 1 calc R . .
C43 C 1.1010(11) 0.9448(10) 0.5085(9) 0.082(6) Uani 1 1 d . . .
H43A H 1.0784 0.9079 0.5281 0.098 Uiso 1 1 calc R . .
C44 C 1.1493(11) 0.9400(9) 0.4492(9) 0.075(5) Uani 1 1 d . . .
C45 C 1.1924(9) 0.9977(7) 0.4256(7) 0.050(4) Uani 1 1 d . . .
C46 C 1.1746(11) 0.8831(8) 0.4128(10) 0.082(6) Uani 1 1 d . . .
H46A H 1.1492 0.8444 0.4239 0.098 Uiso 1 1 calc R . .
C47 C 1.2316(12) 0.8818(8) 0.3643(9) 0.075(6) Uani 1 1 d . . .
H47A H 1.2500 0.8430 0.3457 0.090 Uiso 1 1 calc R . .
C48 C 1.2628(12) 0.9397(8) 0.3425(8) 0.078(6) Uani 1 1 d . . .
H48A H 1.2958 0.9394 0.3028 0.093 Uiso 1 1 calc R . .
O1W O 0.8458(7) 0.8014(6) 0.1559(7) 0.094(4) Uani 1 1 d . . .


_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
W1 O1 1.679(9) . ?
W1 O13 1.911(8) . ?
W1 O14 1.911(8) . ?
W1 O10 1.913(6) . ?
W1 O12 2.071(8) . ?
W1 O31 2.380(8) . ?
W2 O2 1.684(11) . ?
W2 O16 1.860(8) . ?
W2 O15 1.863(8) . ?
W2 O10 1.942(6) . ?
W2 O11 1.971(9) . ?
W2 O32 2.381(7) . ?
W3 O3 1.682(9) . ?
W3 O11 1.862(9) . ?
W3 O17 1.867(8) . ?
W3 O18 1.924(8) . ?
W3 O12 2.016(7) . ?
W3 O33 2.361(8) . ?
W4 O4 1.736(8) . ?
W4 O25 1.807(8) . ?
W4 O19 1.906(8) . ?
W4 O24 2.022(8) . ?
W4 O13 2.024(7) . ?
W4 O31 2.305(8) . ?
W5 O5 1.729(8) . ?
W5 O26 1.850(8) . ?
W5 O20 1.861(9) . ?
W5 O14 1.944(9) . ?
W5 O19 1.962(8) . ?
W5 O31 2.220(8) . ?
W6 O6 1.723(8) . ?
W6 O21 1.869(8) . ?
W6 O27 1.890(8) . ?
W6 O20 1.967(9) . ?
W6 O15 1.971(8) . ?
W6 O32 2.301(7) . ?
W7 O7 1.741(9) . ?
W7 O28 1.805(8) . ?
W7 O22 1.911(8) . ?
W7 O21 1.993(8) . ?
W7 O16 2.039(7) . ?
W7 O32 2.298(7) . ?
W8 O8 1.700(8) . ?
W8 O29 1.758(8) . ?
W8 O22 1.927(8) . ?
W8 O23 1.999(8) . ?
W8 O17 2.017(8) . ?
W8 O33 2.307(7) . ?
W9 O9 1.735(9) . ?
W9 O30 1.846(7) . ?
W9 O23 1.888(8) . ?
W9 O24 1.986(8) . ?
W9 O18 2.002(7) . ?
W9 O33 2.330(8) . ?
Ge1 O33 1.732(8) . ?
Ge1 O34 1.736(8) . ?
Ge1 O32 1.752(8) . ?
Ge1 O31 1.778(8) . ?
Cu1 O29 1.958(8) . ?
Cu1 O34 1.968(8) 3_775 ?
Cu1 O26 1.985(8) 3_775 ?
Cu1 O34 2.002(8) . ?
Cu1 O25 2.366(8) 3_775 ?
Cu1 Cu1 3.060(3) 3_775 ?
Cu2 O28 1.945(8) 3_775 ?
Cu2 O25 1.948(8) . ?
Cu2 O27 1.978(8) 3_775 ?
Cu2 O30 1.980(8) . ?
Cu2 O34 2.288(7) 3_775 ?
Cu3 O27 1.963(8) . ?
Cu3 N2 1.994(11) . ?
Cu3 O26 1.997(8) . ?
Cu3 N1 2.005(11) . ?
Cu3 O30 2.338(8) 3_775 ?
Cu4 O12 1.916(9) . ?
Cu4 N3 1.979(11) . ?
Cu4 N4 1.987(11) . ?
Cu4 O24 1.993(8) . ?
Cu4 O18 2.267(8) . ?
Cu4 O13 2.392(8) . ?
Cu5 N8 1.952(12) . ?
Cu5 N6 1.979(12) . ?
Cu5 N7 2.036(12) . ?
Cu5 N5 2.113(12) . ?
Cu5 O5 2.355(8) . ?
O25 Cu1 2.366(8) 3_775 ?
O26 Cu1 1.985(8) 3_775 ?
O27 Cu2 1.978(8) 3_775 ?
O28 Cu2 1.945(8) 3_775 ?
O30 Cu3 2.338(8) 3_775 ?
O34 Cu1 1.968(8) 3_775 ?
O34 Cu2 2.288(7) 3_775 ?
N1 C5 1.341(15) . ?
N1 C1 1.369(18) . ?
N2 C12 1.323(17) . ?
N2 C9 1.364(16) . ?
N3 C13 1.291(17) . ?
N3 C17 1.379(15) . ?
N4 C24 1.298(17) . ?
N4 C21 1.363(17) . ?
N5 C29 1.340(18) . ?
N5 C25 1.38(2) . ?
N6 C36 1.34(2) . ?
N6 C33 1.352(17) . ?
N7 C41 1.331(18) . ?
N7 C37 1.350(19) . ?
N8 C48 1.308(19) . ?
N8 C45 1.376(17) . ?
C1 C2 1.37(2) . ?
C1 H1A 0.9300 . ?
C2 C3 1.37(2) . ?
C2 H2A 0.9300 . ?
C3 C4 1.44(2) . ?
C3 H3A 0.9300 . ?
C4 C5 1.395(18) . ?
C4 C6 1.41(2) . ?
C5 C9 1.425(19) . ?
C6 C7 1.34(2) . ?
C6 H6A 0.9300 . ?
C7 C8 1.40(2) . ?
C7 H7A 0.9300 . ?
C8 C9 1.367(18) . ?
C8 C10 1.38(2) . ?
C10 C11 1.39(2) . ?
C10 H10A 0.9300 . ?
C11 C12 1.39(2) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 C14 1.42(2) . ?
C13 H13A 0.9300 . ?
C14 C15 1.38(2) . ?
C14 H14A 0.9300 . ?
C15 C16 1.405(19) . ?
C15 H15A 0.9300 . ?
C16 C17 1.360(18) . ?
C16 C18 1.485(18) . ?
C17 C21 1.412(19) . ?
C18 C19 1.38(2) . ?
C18 H18A 0.9300 . ?
C19 C20 1.377(18) . ?
C19 H19A 0.9300 . ?
C20 C21 1.396(18) . ?
C20 C22 1.43(2) . ?
C22 C23 1.39(2) . ?
C22 H22A 0.9300 . ?
C23 C24 1.38(2) . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9300 . ?
C25 C26 1.36(2) . ?
C25 H25A 0.9300 . ?
C26 C27 1.36(3) . ?
C26 H26A 0.9300 . ?
C27 C28 1.41(3) . ?
C27 H27A 0.9300 . ?
C28 C30 1.40(2) . ?
C28 C29 1.451(19) . ?
C29 C33 1.41(2) . ?
C30 C31 1.32(3) . ?
C30 H30A 0.9300 . ?
C31 C32 1.45(2) . ?
C31 H31A 0.9300 . ?
C32 C33 1.39(2) . ?
C32 C34 1.42(2) . ?
C34 C35 1.37(2) . ?
C34 H34A 0.9300 . ?
C35 C36 1.40(2) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
C37 C38 1.40(2) . ?
C37 H37A 0.9300 . ?
C38 C39 1.31(3) . ?
C38 H38A 0.9300 . ?
C39 C40 1.33(3) . ?
C39 H39A 0.9300 . ?
C40 C41 1.414(18) . ?
C40 C42 1.44(2) . ?
C41 C45 1.39(2) . ?
C42 C43 1.37(3) . ?
C42 H42A 0.9300 . ?
C43 C44 1.38(2) . ?
C43 H43A 0.9300 . ?
C44 C46 1.43(2) . ?
C44 C45 1.46(2) . ?
C46 C47 1.32(2) . ?
C46 H46A 0.9300 . ?
C47 C48 1.37(2) . ?
C47 H47A 0.9300 . ?
C48 H48A 0.9300 . ?

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
O1 W1 O13 100.1(4) . . ?
O1 W1 O14 103.4(4) . . ?
O13 W1 O14 89.3(4) . . ?
O1 W1 O10 102.0(4) . . ?
O13 W1 O10 157.6(3) . . ?
O14 W1 O10 88.7(3) . . ?
O1 W1 O12 100.5(4) . . ?
O13 W1 O12 80.1(3) . . ?
O14 W1 O12 155.2(3) . . ?
O10 W1 O12 92.6(3) . . ?
O1 W1 O31 170.4(4) . . ?
O13 W1 O31 72.3(3) . . ?
O14 W1 O31 71.2(3) . . ?
O10 W1 O31 86.0(3) . . ?
O12 W1 O31 84.2(3) . . ?
O2 W2 O16 101.4(4) . . ?
O2 W2 O15 102.6(4) . . ?
O16 W2 O15 93.6(3) . . ?
O2 W2 O10 102.2(4) . . ?
O16 W2 O10 156.3(3) . . ?
O15 W2 O10 83.8(3) . . ?
O2 W2 O11 101.3(4) . . ?
O16 W2 O11 88.1(4) . . ?
O15 W2 O11 155.3(4) . . ?
O10 W2 O11 84.8(3) . . ?
O2 W2 O32 172.5(4) . . ?
O16 W2 O32 72.4(3) . . ?
O15 W2 O32 74.1(3) . . ?
O10 W2 O32 84.2(3) . . ?
O11 W2 O32 83.0(3) . . ?
O3 W3 O11 102.0(4) . . ?
O3 W3 O17 103.7(4) . . ?
O11 W3 O17 91.7(4) . . ?
O3 W3 O18 98.4(4) . . ?
O11 W3 O18 157.7(3) . . ?
O17 W3 O18 92.3(3) . . ?
O3 W3 O12 98.4(4) . . ?
O11 W3 O12 90.6(4) . . ?
O17 W3 O12 156.7(3) . . ?
O18 W3 O12 77.4(3) . . ?
O3 W3 O33 170.8(4) . . ?
O11 W3 O33 86.9(3) . . ?
O17 W3 O33 73.5(3) . . ?
O18 W3 O33 73.2(3) . . ?
O12 W3 O33 83.5(3) . . ?
O4 W4 O25 103.9(4) . . ?
O4 W4 O19 101.5(4) . . ?
O25 W4 O19 95.0(3) . . ?
O4 W4 O24 102.4(4) . . ?
O25 W4 O24 87.6(3) . . ?
O19 W4 O24 154.6(3) . . ?
O4 W4 O13 94.7(4) . . ?
O25 W4 O13 159.9(3) . . ?
O19 W4 O13 88.5(3) . . ?
O24 W4 O13 81.0(3) . . ?
O4 W4 O31 165.1(3) . . ?
O25 W4 O31 90.1(3) . . ?
O19 W4 O31 71.8(3) . . ?
O24 W4 O31 83.0(3) . . ?
O13 W4 O31 72.2(3) . . ?
O5 W5 O26 102.7(3) . . ?
O5 W5 O20 101.1(4) . . ?
O26 W5 O20 89.5(4) . . ?
O5 W5 O14 96.4(4) . . ?
O26 W5 O14 160.8(3) . . ?
O20 W5 O14 88.2(4) . . ?
O5 W5 O19 98.2(4) . . ?
O26 W5 O19 89.7(3) . . ?
O20 W5 O19 160.4(3) . . ?
O14 W5 O19 86.1(3) . . ?
O5 W5 O31 167.3(3) . . ?
O26 W5 O31 86.5(3) . . ?
O20 W5 O31 87.6(3) . . ?
O14 W5 O31 74.4(3) . . ?
O19 W5 O31 72.8(3) . . ?
O6 W6 O21 102.1(4) . . ?
O6 W6 O27 101.8(4) . . ?
O21 W6 O27 90.8(4) . . ?
O6 W6 O20 100.6(4) . . ?
O21 W6 O20 156.9(3) . . ?
O27 W6 O20 88.7(3) . . ?
O6 W6 O15 99.8(4) . . ?
O21 W6 O15 87.2(4) . . ?
O27 W6 O15 158.2(3) . . ?
O20 W6 O15 84.8(3) . . ?
O6 W6 O32 172.5(3) . . ?
O21 W6 O32 73.6(3) . . ?
O27 W6 O32 84.5(3) . . ?
O20 W6 O32 83.3(3) . . ?
O15 W6 O32 74.2(3) . . ?
O7 W7 O28 104.4(4) . . ?
O7 W7 O22 101.9(4) . . ?
O28 W7 O22 97.1(3) . . ?
O7 W7 O21 99.1(4) . . ?
O28 W7 O21 87.8(3) . . ?
O22 W7 O21 156.5(4) . . ?
O7 W7 O16 95.3(4) . . ?
O28 W7 O16 158.1(4) . . ?
O22 W7 O16 87.9(3) . . ?
O21 W7 O16 79.6(3) . . ?
O7 W7 O32 164.8(4) . . ?
O28 W7 O32 87.6(3) . . ?
O22 W7 O32 85.6(3) . . ?
O21 W7 O32 71.6(3) . . ?
O16 W7 O32 71.4(3) . . ?
O8 W8 O29 103.6(4) . . ?
O8 W8 O22 101.0(4) . . ?
O29 W8 O22 95.3(4) . . ?
O8 W8 O23 98.8(4) . . ?
O29 W8 O23 90.5(4) . . ?
O22 W8 O23 157.3(4) . . ?
O8 W8 O17 96.9(4) . . ?
O29 W8 O17 159.1(3) . . ?
O22 W8 O17 84.3(3) . . ?
O23 W8 O17 82.5(3) . . ?
O8 W8 O33 166.3(3) . . ?
O29 W8 O33 86.8(3) . . ?
O22 W8 O33 86.5(3) . . ?
O23 W8 O33 72.0(3) . . ?
O17 W8 O33 72.2(3) . . ?
O9 W9 O30 102.4(4) . . ?
O9 W9 O23 101.2(4) . . ?
O30 W9 O23 93.6(3) . . ?
O9 W9 O24 102.6(4) . . ?
O30 W9 O24 90.9(3) . . ?
O23 W9 O24 154.2(4) . . ?
O9 W9 O18 94.9(4) . . ?
O30 W9 O18 162.1(3) . . ?
O23 W9 O18 87.3(3) . . ?
O24 W9 O18 80.9(3) . . ?
O9 W9 O33 166.3(4) . . ?
O30 W9 O33 90.5(3) . . ?
O23 W9 O33 73.3(3) . . ?
O24 W9 O33 81.3(3) . . ?
O18 W9 O33 72.6(3) . . ?
O33 Ge1 O34 110.8(4) . . ?
O33 Ge1 O32 109.3(4) . . ?
O34 Ge1 O32 112.0(3) . . ?
O33 Ge1 O31 107.4(4) . . ?
O34 Ge1 O31 109.3(4) . . ?
O32 Ge1 O31 107.8(4) . . ?
O29 Cu1 O34 172.9(3) . 3_775 ?
O29 Cu1 O26 91.5(3) . 3_775 ?
O34 Cu1 O26 92.7(3) 3_775 3_775 ?
O29 Cu1 O34 96.2(3) . . ?
O34 Cu1 O34 79.2(4) 3_775 . ?
O26 Cu1 O34 170.9(3) 3_775 . ?
O29 Cu1 O25 94.7(3) . 3_775 ?
O34 Cu1 O25 90.3(3) 3_775 3_775 ?
O26 Cu1 O25 99.6(3) 3_775 3_775 ?
O34 Cu1 O25 84.6(3) . 3_775 ?
O29 Cu1 Cu1 135.1(2) . 3_775 ?
O34 Cu1 Cu1 40.0(2) 3_775 3_775 ?
O26 Cu1 Cu1 132.6(2) 3_775 3_775 ?
O34 Cu1 Cu1 39.2(2) . 3_775 ?
O25 Cu1 Cu1 86.68(19) 3_775 3_775 ?
O28 Cu2 O25 91.3(3) 3_775 . ?
O28 Cu2 O27 95.2(3) 3_775 3_775 ?
O25 Cu2 O27 173.1(3) . 3_775 ?
O28 Cu2 O30 177.8(3) 3_775 . ?
O25 Cu2 O30 88.4(3) . . ?
O27 Cu2 O30 85.2(3) 3_775 . ?
O28 Cu2 O34 93.6(3) 3_775 3_775 ?
O25 Cu2 O34 88.0(3) . 3_775 ?
O27 Cu2 O34 89.3(3) 3_775 3_775 ?
O30 Cu2 O34 88.6(3) . 3_775 ?
O27 Cu3 N2 163.8(4) . . ?
O27 Cu3 O26 91.2(3) . . ?
N2 Cu3 O26 91.4(4) . . ?
O27 Cu3 N1 91.6(4) . . ?
N2 Cu3 N1 82.3(4) . . ?
O26 Cu3 N1 166.3(4) . . ?
O27 Cu3 O30 76.5(3) . 3_775 ?
N2 Cu3 O30 119.5(4) . 3_775 ?
O26 Cu3 O30 88.8(3) . 3_775 ?
N1 Cu3 O30 104.9(4) . 3_775 ?
O12 Cu4 N3 176.9(4) . . ?
O12 Cu4 N4 94.4(4) . . ?
N3 Cu4 N4 82.8(5) . . ?
O12 Cu4 O24 92.2(3) . . ?
N3 Cu4 O24 90.3(4) . . ?
N4 Cu4 O24 167.2(4) . . ?
O12 Cu4 O18 71.6(3) . . ?
N3 Cu4 O18 107.3(4) . . ?
N4 Cu4 O18 97.3(4) . . ?
O24 Cu4 O18 74.5(3) . . ?
O12 Cu4 O13 72.1(3) . . ?
N3 Cu4 O13 110.4(4) . . ?
N4 Cu4 O13 119.5(4) . . ?
O24 Cu4 O13 73.0(3) . . ?
O18 Cu4 O13 129.4(3) . . ?
N8 Cu5 N6 170.8(5) . . ?
N8 Cu5 N7 82.3(5) . . ?
N6 Cu5 N7 98.2(5) . . ?
N8 Cu5 N5 103.1(5) . . ?
N6 Cu5 N5 82.2(5) . . ?
N7 Cu5 N5 141.8(4) . . ?
N8 Cu5 O5 81.1(4) . . ?
N6 Cu5 O5 92.1(4) . . ?
N7 Cu5 O5 133.6(4) . . ?
N5 Cu5 O5 84.3(4) . . ?
W5 O5 Cu5 114.1(4) . . ?
W1 O10 W2 152.4(4) . . ?
W3 O11 W2 156.6(5) . . ?
Cu4 O12 W3 109.6(4) . . ?
Cu4 O12 W1 108.6(4) . . ?
W3 O12 W1 138.7(4) . . ?
W1 O13 W4 121.3(4) . . ?
W1 O13 Cu4 97.0(3) . . ?
W4 O13 Cu4 94.5(3) . . ?
W1 O14 W5 120.8(4) . . ?
W2 O15 W6 120.5(4) . . ?
W2 O16 W7 122.3(4) . . ?
W3 O17 W8 121.3(4) . . ?
W3 O18 W9 120.5(4) . . ?
W3 O18 Cu4 99.8(3) . . ?
W9 O18 Cu4 95.3(3) . . ?
W4 O19 W5 119.9(4) . . ?
W5 O20 W6 152.0(5) . . ?
W6 O21 W7 120.3(4) . . ?
W7 O22 W8 147.8(5) . . ?
W9 O23 W8 120.6(4) . . ?
W9 O24 Cu4 105.2(4) . . ?
W9 O24 W4 145.2(4) . . ?
Cu4 O24 W4 108.2(4) . . ?
W4 O25 Cu2 141.5(4) . . ?
W4 O25 Cu1 123.2(4) . 3_775 ?
Cu2 O25 Cu1 92.7(3) . 3_775 ?
W5 O26 Cu1 135.2(4) . 3_775 ?
W5 O26 Cu3 117.1(4) . . ?
Cu1 O26 Cu3 104.8(4) 3_775 . ?
W6 O27 Cu3 116.3(4) . . ?
W6 O27 Cu2 136.2(4) . 3_775 ?
Cu3 O27 Cu2 105.2(4) . 3_775 ?
W7 O28 Cu2 139.2(5) . 3_775 ?
W8 O29 Cu1 142.7(5) . . ?
W9 O30 Cu2 137.8(4) . . ?
W9 O30 Cu3 114.3(4) . 3_775 ?
Cu2 O30 Cu3 92.6(3) . 3_775 ?
Ge1 O31 W5 120.8(4) . . ?
Ge1 O31 W4 122.9(4) . . ?
W5 O31 W4 95.5(3) . . ?
Ge1 O31 W1 122.6(4) . . ?
W5 O31 W1 93.5(3) . . ?
W4 O31 W1 94.1(3) . . ?
Ge1 O32 W7 121.2(4) . . ?
Ge1 O32 W6 123.9(4) . . ?
W7 O32 W6 93.5(3) . . ?
Ge1 O32 W2 125.0(4) . . ?
W7 O32 W2 93.8(3) . . ?
W6 O32 W2 90.7(3) . . ?
Ge1 O33 W8 119.1(4) . . ?
Ge1 O33 W9 125.8(4) . . ?
W8 O33 W9 93.5(3) . . ?
Ge1 O33 W3 123.8(4) . . ?
W8 O33 W3 93.0(3) . . ?
W9 O33 W3 93.2(3) . . ?
Ge1 O34 Cu1 121.5(4) . 3_775 ?
Ge1 O34 Cu1 122.0(4) . . ?
Cu1 O34 Cu1 100.8(4) 3_775 . ?
Ge1 O34 Cu2 115.7(4) . 3_775 ?
Cu1 O34 Cu2 97.4(3) 3_775 3_775 ?
Cu1 O34 Cu2 93.7(3) . 3_775 ?
C5 N1 C1 119.7(12) . . ?
C5 N1 Cu3 111.0(9) . . ?
C1 N1 Cu3 128.9(9) . . ?
C12 N2 C9 117.7(12) . . ?
C12 N2 Cu3 130.2(10) . . ?
C9 N2 Cu3 112.1(9) . . ?
C13 N3 C17 118.0(12) . . ?
C13 N3 Cu4 130.0(9) . . ?
C17 N3 Cu4 112.0(9) . . ?
C24 N4 C21 119.0(12) . . ?
C24 N4 Cu4 127.9(10) . . ?
C21 N4 Cu4 112.7(9) . . ?
C29 N5 C25 122.1(13) . . ?
C29 N5 Cu5 109.0(10) . . ?
C25 N5 Cu5 128.6(11) . . ?
C36 N6 C33 120.4(14) . . ?
C36 N6 Cu5 127.6(11) . . ?
C33 N6 Cu5 112.0(10) . . ?
C41 N7 C37 118.7(12) . . ?
C41 N7 Cu5 111.7(10) . . ?
C37 N7 Cu5 129.6(10) . . ?
C48 N8 C45 118.0(14) . . ?
C48 N8 Cu5 130.2(11) . . ?
C45 N8 Cu5 111.2(9) . . ?
C2 C1 N1 119.7(14) . . ?
C2 C1 H1A 120.2 . . ?
N1 C1 H1A 120.2 . . ?
C1 C2 C3 123.2(16) . . ?
C1 C2 H2A 118.4 . . ?
C3 C2 H2A 118.4 . . ?
C2 C3 C4 116.8(15) . . ?
C2 C3 H3A 121.6 . . ?
C4 C3 H3A 121.6 . . ?
C5 C4 C6 118.2(15) . . ?
C5 C4 C3 117.8(13) . . ?
C6 C4 C3 124.0(14) . . ?
N1 C5 C4 122.6(13) . . ?
N1 C5 C9 117.8(11) . . ?
C4 C5 C9 119.4(12) . . ?
C7 C6 C4 121.5(14) . . ?
C7 C6 H6A 119.2 . . ?
C4 C6 H6A 119.2 . . ?
C6 C7 C8 120.8(15) . . ?
C6 C7 H7A 119.6 . . ?
C8 C7 H7A 119.6 . . ?
C9 C8 C10 115.6(13) . . ?
C9 C8 C7 119.5(15) . . ?
C10 C8 C7 124.7(14) . . ?
N2 C9 C8 124.6(14) . . ?
N2 C9 C5 115.1(11) . . ?
C8 C9 C5 120.1(12) . . ?
C8 C10 C11 121.9(13) . . ?
C8 C10 H10A 119.1 . . ?
C11 C10 H10A 119.1 . . ?
C12 C11 C10 116.9(16) . . ?
C12 C11 H11A 121.5 . . ?
C10 C11 H11A 121.5 . . ?
N2 C12 C11 122.9(15) . . ?
N2 C12 H12A 118.5 . . ?
C11 C12 H12A 118.5 . . ?
N3 C13 C14 122.9(13) . . ?
N3 C13 H13A 118.6 . . ?
C14 C13 H13A 118.6 . . ?
C15 C14 C13 119.2(14) . . ?
C15 C14 H14A 120.4 . . ?
C13 C14 H14A 120.4 . . ?
C14 C15 C16 117.9(13) . . ?
C14 C15 H15A 121.0 . . ?
C16 C15 H15A 121.0 . . ?
C17 C16 C15 118.6(12) . . ?
C17 C16 C18 120.5(12) . . ?
C15 C16 C18 120.7(12) . . ?
C16 C17 N3 123.3(13) . . ?
C16 C17 C21 120.2(12) . . ?
N3 C17 C21 116.5(12) . . ?
C19 C18 C16 116.3(13) . . ?
C19 C18 H18A 121.9 . . ?
C16 C18 H18A 121.9 . . ?
C18 C19 C20 122.7(14) . . ?
C18 C19 H19A 118.6 . . ?
C20 C19 H19A 118.6 . . ?
C19 C20 C21 120.2(13) . . ?
C19 C20 C22 124.7(13) . . ?
C21 C20 C22 115.1(12) . . ?
N4 C21 C20 124.5(13) . . ?
N4 C21 C17 115.9(12) . . ?
C20 C21 C17 119.7(12) . . ?
C23 C22 C20 118.9(14) . . ?
C23 C22 H22A 120.6 . . ?
C20 C22 H22A 120.6 . . ?
C24 C23 C22 120.3(17) . . ?
C24 C23 H23A 119.8 . . ?
C22 C23 H23A 119.8 . . ?
N4 C24 C23 122.2(15) . . ?
N4 C24 H24A 118.9 . . ?
C23 C24 H24A 118.9 . . ?
C26 C25 N5 116.9(15) . . ?
C26 C25 H25A 121.6 . . ?
N5 C25 H25A 121.6 . . ?
C25 C26 C27 124.9(16) . . ?
C25 C26 H26A 117.6 . . ?
C27 C26 H26A 117.6 . . ?
C26 C27 C28 119.0(15) . . ?
C26 C27 H27A 120.5 . . ?
C28 C27 H27A 120.5 . . ?
C30 C28 C27 126.5(16) . . ?
C30 C28 C29 117.2(16) . . ?
C27 C28 C29 116.0(15) . . ?
N5 C29 C33 117.5(13) . . ?
N5 C29 C28 121.0(15) . . ?
C33 C29 C28 121.5(14) . . ?
C31 C30 C28 120.0(17) . . ?
C31 C30 H30A 120.0 . . ?
C28 C30 H30A 120.0 . . ?
C30 C31 C32 125(2) . . ?
C30 C31 H31A 117.5 . . ?
C32 C31 H31A 117.5 . . ?
C33 C32 C34 120.7(16) . . ?
C33 C32 C31 116.2(18) . . ?
C34 C32 C31 123.0(18) . . ?
N6 C33 C32 121.3(15) . . ?
N6 C33 C29 119.2(13) . . ?
C32 C33 C29 119.5(14) . . ?
C35 C34 C32 114.5(17) . . ?
C35 C34 H34A 122.8 . . ?
C32 C34 H34A 122.8 . . ?
C34 C35 C36 124.1(17) . . ?
C34 C35 H35A 117.9 . . ?
C36 C35 H35A 117.9 . . ?
N6 C36 C35 118.8(16) . . ?
N6 C36 H36A 120.6 . . ?
C35 C36 H36A 120.6 . . ?
N7 C37 C38 119.8(15) . . ?
N7 C37 H37A 120.1 . . ?
C38 C37 H37A 120.1 . . ?
C39 C38 C37 120.5(18) . . ?
C39 C38 H38A 119.8 . . ?
C37 C38 H38A 119.8 . . ?
C38 C39 C40 121.5(17) . . ?
C38 C39 H39A 119.3 . . ?
C40 C39 H39A 119.3 . . ?
C39 C40 C41 117.9(16) . . ?
C39 C40 C42 127.3(16) . . ?
C41 C40 C42 114.6(16) . . ?
N7 C41 C45 115.8(12) . . ?
N7 C41 C40 121.6(15) . . ?
C45 C41 C40 122.6(15) . . ?
C43 C42 C40 124.5(16) . . ?
C43 C42 H42A 117.8 . . ?
C40 C42 H42A 117.8 . . ?
C42 C43 C44 119.9(19) . . ?
C42 C43 H43A 120.1 . . ?
C44 C43 H43A 120.1 . . ?
C43 C44 C46 128.4(18) . . ?
C43 C44 C45 118.4(17) . . ?
C46 C44 C45 112.4(15) . . ?
N8 C45 C41 118.4(13) . . ?
N8 C45 C44 122.0(14) . . ?
C41 C45 C44 119.5(14) . . ?
C47 C46 C44 124.3(16) . . ?
C47 C46 H46A 117.9 . . ?
C44 C46 H46A 117.9 . . ?
C46 C47 C48 117.7(17) . . ?
C46 C47 H47A 121.1 . . ?
C48 C47 H47A 121.1 . . ?
N8 C48 C47 124.9(17) . . ?
N8 C48 H48A 117.6 . . ?
C47 C48 H48A 117.6 . . ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         3.499
_refine_diff_density_min         -1.489
_refine_diff_density_rms         0.281


