# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_pmb152b
_database_code_depnum_ccdc_archive 'CCDC 1479637'
_audit_update_record             
;
2016-05-13 deposited with the CCDC.
2016-07-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C18 H36 N2 O6 Rb), Ge10, 1.5(C2 H8 N2)'
_chemical_formula_sum            'C39 H84 Ge10 N7 O12 Rb2'
_chemical_formula_weight         1739.97

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'
Rb Rb -0.9393 2.9676 '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           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8759(2)
_cell_length_b                   13.4395(3)
_cell_length_c                   21.2985(4)
_cell_angle_alpha                85.907(2)
_cell_angle_beta                 88.885(2)
_cell_angle_gamma                88.995(2)
_cell_volume                     3104.20(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    14276
_cell_measurement_theta_min      2.6202
_cell_measurement_theta_max      33.7021

_exptl_crystal_description       pillar
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.862
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1714
_exptl_absorpt_coefficient_mu    6.380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.69409
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Xcalibur 3'
_diffrn_measurement_method       'ω and π scans'
_diffrn_detector_area_resol_mean 16.0238
_diffrn_standards_number         2
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            65291
_diffrn_reflns_av_R_equivalents  0.0812
_diffrn_reflns_av_sigmaI/netI    0.1173
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.63
_diffrn_reflns_theta_max         26.00
_reflns_number_total             11569
_reflns_number_gt                6528
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
; 
 CrysAlis CCD, Oxford Diffraction Ltd.,
 Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
 (compiled Feb 27 2009,15:38:38)
;
_computing_cell_refinement       
; 
 CrysAlis RED, Oxford Diffraction Ltd.,
 Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
 (compiled Feb 27 2009,15:38:38)
;
_computing_data_reduction        
; 
 CrysAlis RED, Oxford Diffraction Ltd.,
 Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
 (compiled Feb 27 2009,15:38:38)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2012)'
_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)+(0.0409P)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       0
_refine_ls_number_reflns         11569
_refine_ls_number_parameters     631
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0954
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.0908
_refine_ls_wR_factor_gt          0.0782
_refine_ls_goodness_of_fit_ref   0.855
_refine_ls_restrained_S_all      0.856
_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
Ge1 Ge -0.09284(8) 0.07338(6) 0.17528(4) 0.0489(3) Uani 1 1 d . . .
Ge2 Ge -0.05528(7) 0.09707(6) 0.29287(4) 0.0363(2) Uani 1 1 d . . .
Ge3 Ge 0.12821(8) 0.03310(5) 0.21317(4) 0.0399(2) Uani 1 1 d . . .
Ge4 Ge 0.07313(8) 0.19014(6) 0.12431(4) 0.0388(2) Uani 1 1 d . . .
Ge5 Ge -0.11227(7) 0.25509(6) 0.20545(4) 0.0392(2) Uani 1 1 d . . .
Ge6 Ge -0.00079(8) 0.27724(6) 0.30771(4) 0.0399(2) Uani 1 1 d . . .
Ge7 Ge 0.17382(7) 0.12053(5) 0.31150(3) 0.0320(2) Uani 1 1 d . . .
Ge8 Ge 0.26293(7) 0.18718(6) 0.19294(4) 0.0399(2) Uani 1 1 d . . .
Ge9 Ge 0.09078(8) 0.34460(5) 0.18752(4) 0.0387(2) Uani 1 1 d . . .
Ge10 Ge 0.22885(8) 0.30524(6) 0.28415(4) 0.0420(2) Uani 1 1 d . . .
Rb1 Rb 0.62283(6) 0.68287(4) 0.39291(3) 0.01942(15) Uani 1 1 d . . .
N1 N 0.8800(5) 0.5961(4) 0.3967(2) 0.0287(14) Uani 1 1 d . . .
N2 N 0.3687(5) 0.7709(4) 0.3876(2) 0.0272(13) Uani 1 1 d . . .
O1 O 0.6556(4) 0.4705(3) 0.41985(19) 0.0255(11) Uani 1 1 d . . .
O2 O 0.4186(4) 0.5533(3) 0.3882(2) 0.0273(11) Uani 1 1 d . . .
O3 O 0.7919(4) 0.7509(3) 0.48018(19) 0.0251(11) Uani 1 1 d . . .
O4 O 0.5361(4) 0.8006(3) 0.4934(2) 0.0267(11) Uani 1 1 d . . .
O5 O 0.7911(4) 0.7263(3) 0.28636(19) 0.0245(11) Uani 1 1 d . . .
O6 O 0.5629(4) 0.8352(3) 0.29863(19) 0.0256(11) Uani 1 1 d . . .
C1 C 0.8736(7) 0.4914(5) 0.4204(3) 0.0360(19) Uani 1 1 d . . .
H1A H 0.8647 0.4887 0.4669 0.043 Uiso 1 1 calc R . .
H1B H 0.9526 0.4579 0.4103 0.043 Uiso 1 1 calc R . .
C2 C 0.7715(6) 0.4338(5) 0.3951(3) 0.0316(18) Uani 1 1 d . . .
H2A H 0.7725 0.4422 0.3486 0.038 Uiso 1 1 calc R . .
H2B H 0.7822 0.3620 0.4079 0.038 Uiso 1 1 calc R . .
C3 C 0.5557(6) 0.4118(4) 0.4003(3) 0.0258(16) Uani 1 1 d . . .
H3A H 0.5634 0.3430 0.4199 0.031 Uiso 1 1 calc R . .
H3B H 0.5596 0.4084 0.3541 0.031 Uiso 1 1 calc R . .
C4 C 0.4358(6) 0.4562(4) 0.4190(3) 0.0275(17) Uani 1 1 d . . .
H4A H 0.3684 0.4126 0.4079 0.033 Uiso 1 1 calc R . .
H4B H 0.4328 0.4610 0.4652 0.033 Uiso 1 1 calc R . .
C5 C 0.3001(6) 0.5932(5) 0.4000(3) 0.0317(18) Uani 1 1 d . . .
H5A H 0.2876 0.5978 0.4458 0.038 Uiso 1 1 calc R . .
H5B H 0.2374 0.5481 0.3853 0.038 Uiso 1 1 calc R . .
C6 C 0.2839(6) 0.6963(5) 0.3664(3) 0.0286(17) Uani 1 1 d . . .
H6A H 0.2966 0.6909 0.3206 0.034 Uiso 1 1 calc R . .
H6B H 0.1983 0.7199 0.3733 0.034 Uiso 1 1 calc R . .
C7 C 0.9536(6) 0.6513(5) 0.4388(3) 0.0324(18) Uani 1 1 d . . .
H7A H 0.9834 0.7126 0.4152 0.039 Uiso 1 1 calc R . .
H7B H 1.0267 0.6100 0.4512 0.039 Uiso 1 1 calc R . .
C8 C 0.8880(6) 0.6803(5) 0.4973(3) 0.0356(19) Uani 1 1 d . . .
H8A H 0.8526 0.6205 0.5203 0.043 Uiso 1 1 calc R . .
H8B H 0.9465 0.7103 0.5253 0.043 Uiso 1 1 calc R . .
C9 C 0.7394(7) 0.7942(5) 0.5340(3) 0.0327(19) Uani 1 1 d . . .
H9A H 0.8019 0.8345 0.5533 0.039 Uiso 1 1 calc R . .
H9B H 0.7136 0.7406 0.5655 0.039 Uiso 1 1 calc R . .
C10 C 0.6309(6) 0.8588(4) 0.5158(3) 0.0264(16) Uani 1 1 d . . .
H10A H 0.6003 0.8932 0.5528 0.032 Uiso 1 1 calc R . .
H10B H 0.6558 0.9102 0.4826 0.032 Uiso 1 1 calc R . .
C11 C 0.4282(6) 0.8591(5) 0.4817(3) 0.0301(17) Uani 1 1 d U . .
H11A H 0.4483 0.9182 0.4532 0.036 Uiso 1 1 calc R . .
H11B H 0.3954 0.8828 0.5218 0.036 Uiso 1 1 calc R . .
C12 C 0.3323(6) 0.7986(5) 0.4522(3) 0.0337(18) Uani 1 1 d . . .
H12A H 0.3178 0.7369 0.4795 0.040 Uiso 1 1 calc R . .
H12B H 0.2541 0.8374 0.4500 0.040 Uiso 1 1 calc R . .
C13 C 0.9327(6) 0.6041(5) 0.3324(3) 0.0334(18) Uani 1 1 d . . .
H13A H 0.8934 0.5544 0.3076 0.040 Uiso 1 1 calc R . .
H13B H 1.0216 0.5870 0.3345 0.040 Uiso 1 1 calc R . .
C14 C 0.9178(6) 0.7055(5) 0.2986(3) 0.0304(17) Uani 1 1 d . . .
H14A H 0.9504 0.7568 0.3247 0.036 Uiso 1 1 calc R . .
H14B H 0.9652 0.7079 0.2584 0.036 Uiso 1 1 calc R . .
C15 C 0.7723(6) 0.8256(4) 0.2614(3) 0.0246(16) Uani 1 1 d . . .
H15A H 0.8255 0.8388 0.2236 0.030 Uiso 1 1 calc R . .
H15B H 0.7943 0.8726 0.2930 0.030 Uiso 1 1 calc R . .
C16 C 0.6396(7) 0.8407(5) 0.2442(3) 0.0351(19) Uani 1 1 d . . .
H16A H 0.6286 0.9068 0.2212 0.042 Uiso 1 1 calc R . .
H16B H 0.6158 0.7891 0.2161 0.042 Uiso 1 1 calc R . .
C17 C 0.4359(6) 0.8493(4) 0.2844(3) 0.0269(17) Uani 1 1 d . . .
H17A H 0.4068 0.7918 0.2625 0.032 Uiso 1 1 calc R . .
H17B H 0.4249 0.9102 0.2559 0.032 Uiso 1 1 calc R . .
C18 C 0.3616(7) 0.8590(5) 0.3434(3) 0.0335(18) Uani 1 1 d . . .
H18A H 0.3904 0.9174 0.3645 0.040 Uiso 1 1 calc R . .
H18B H 0.2745 0.8718 0.3323 0.040 Uiso 1 1 calc R . .
Rb2 Rb 0.51329(6) 0.70193(4) 0.08210(3) 0.01922(15) Uani 1 1 d . . .
N3 N 0.2530(5) 0.7835(4) 0.0816(2) 0.0247(13) Uani 1 1 d . . .
N4 N 0.7724(5) 0.6210(4) 0.0823(2) 0.0218(12) Uani 1 1 d . . .
O7 O 0.3642(4) 0.6808(3) -0.02578(19) 0.0225(10) Uani 1 1 d . . .
O8 O 0.6229(4) 0.6383(3) -0.02993(19) 0.0278(11) Uani 1 1 d . . .
O9 O 0.4704(4) 0.9133(3) 0.06759(19) 0.0218(10) Uani 1 1 d . . .
O10 O 0.7134(4) 0.8361(3) 0.09553(19) 0.0228(10) Uani 1 1 d . . .
O11 O 0.3494(4) 0.6449(3) 0.18765(19) 0.0205(10) Uani 1 1 d . . .
O12 O 0.5796(4) 0.5431(3) 0.17237(19) 0.0227(10) Uani 1 1 d . . .
C19 C 0.1865(6) 0.7359(5) 0.0324(3) 0.0254(16) Uani 1 1 d . . .
H19A H 0.1057 0.7701 0.0266 0.030 Uiso 1 1 calc R . .
H19B H 0.1708 0.6657 0.0472 0.030 Uiso 1 1 calc R . .
C20 C 0.2526(6) 0.7373(5) -0.0307(3) 0.0265(17) Uani 1 1 d . . .
H20A H 0.1991 0.7090 -0.0617 0.032 Uiso 1 1 calc R . .
H20B H 0.2707 0.8070 -0.0457 0.032 Uiso 1 1 calc R . .
C21 C 0.4373(6) 0.6915(5) -0.0820(3) 0.0261(16) Uani 1 1 d . . .
H21A H 0.4695 0.7601 -0.0874 0.031 Uiso 1 1 calc R . .
H21B H 0.3860 0.6805 -0.1187 0.031 Uiso 1 1 calc R . .
C22 C 0.5412(6) 0.6184(5) -0.0789(3) 0.0315(18) Uani 1 1 d . . .
H22A H 0.5088 0.5501 -0.0710 0.038 Uiso 1 1 calc R . .
H22B H 0.5865 0.6218 -0.1197 0.038 Uiso 1 1 calc R . .
C23 C 0.7232(5) 0.5662(5) -0.0232(3) 0.0237(16) Uani 1 1 d . . .
H23A H 0.7598 0.5550 -0.0651 0.028 Uiso 1 1 calc R . .
H23B H 0.6920 0.5018 -0.0044 0.028 Uiso 1 1 calc R . .
C24 C 0.8187(6) 0.6042(5) 0.0179(3) 0.0300(17) Uani 1 1 d . . .
H24A H 0.8882 0.5557 0.0209 0.036 Uiso 1 1 calc R . .
H24B H 0.8503 0.6678 -0.0019 0.036 Uiso 1 1 calc R . .
C25 C 0.2515(6) 0.8938(4) 0.0680(3) 0.0252(16) Uani 1 1 d . . .
H25A H 0.1738 0.9218 0.0849 0.030 Uiso 1 1 calc R . .
H25B H 0.2533 0.9092 0.0219 0.030 Uiso 1 1 calc R . .
C26 C 0.3579(6) 0.9428(4) 0.0962(3) 0.0225(15) Uani 1 1 d . . .
H26A H 0.3477 1.0162 0.0902 0.027 Uiso 1 1 calc R . .
H26B H 0.3597 0.9242 0.1420 0.027 Uiso 1 1 calc R . .
C27 C 0.5730(6) 0.9725(4) 0.0824(3) 0.0274(17) Uani 1 1 d . . .
H27A H 0.5751 0.9776 0.1285 0.033 Uiso 1 1 calc R . .
H27B H 0.5625 1.0407 0.0622 0.033 Uiso 1 1 calc R . .
C28 C 0.6896(6) 0.9292(4) 0.0608(3) 0.0227(16) Uani 1 1 d . . .
H28A H 0.6855 0.9187 0.0153 0.027 Uiso 1 1 calc R . .
H28B H 0.7573 0.9757 0.0668 0.027 Uiso 1 1 calc R . .
C29 C 0.8369(6) 0.7979(4) 0.0822(3) 0.0279(17) Uani 1 1 d . . .
H29A H 0.8987 0.8406 0.1000 0.033 Uiso 1 1 calc R . .
H29B H 0.8514 0.7994 0.0361 0.033 Uiso 1 1 calc R . .
C30 C 0.8501(6) 0.6937(4) 0.1102(3) 0.0275(17) Uani 1 1 d . . .
H30A H 0.9372 0.6722 0.1058 0.033 Uiso 1 1 calc R . .
H30B H 0.8301 0.6931 0.1558 0.033 Uiso 1 1 calc R . .
C31 C 0.1974(6) 0.7594(4) 0.1440(3) 0.0254(16) Uani 1 1 d . . .
H31A H 0.1072 0.7688 0.1410 0.030 Uiso 1 1 calc R . .
H31B H 0.2271 0.8075 0.1732 0.030 Uiso 1 1 calc R . .
C32 C 0.2239(6) 0.6551(4) 0.1721(3) 0.0254(16) Uani 1 1 d . . .
H32A H 0.1721 0.6416 0.2104 0.030 Uiso 1 1 calc R . .
H32B H 0.2034 0.6061 0.1416 0.030 Uiso 1 1 calc R . .
C33 C 0.3775(6) 0.5483(4) 0.2168(3) 0.0281(17) Uani 1 1 d . . .
H33A H 0.3536 0.4965 0.1888 0.034 Uiso 1 1 calc R . .
H33B H 0.3297 0.5382 0.2567 0.034 Uiso 1 1 calc R . .
C34 C 0.5109(6) 0.5380(5) 0.2299(3) 0.0259(16) Uani 1 1 d . . .
H34A H 0.5361 0.5920 0.2560 0.031 Uiso 1 1 calc R . .
H34B H 0.5275 0.4733 0.2537 0.031 Uiso 1 1 calc R . .
C35 C 0.7075(6) 0.5261(5) 0.1826(3) 0.0272(17) Uani 1 1 d . . .
H35A H 0.7202 0.4616 0.2073 0.033 Uiso 1 1 calc R . .
H35B H 0.7401 0.5796 0.2070 0.033 Uiso 1 1 calc R . .
C36 C 0.7754(7) 0.5246(4) 0.1198(3) 0.0321(18) Uani 1 1 d . . .
H36A H 0.8623 0.5048 0.1275 0.038 Uiso 1 1 calc R . .
H36B H 0.7388 0.4734 0.0951 0.038 Uiso 1 1 calc R . .
N5 N 0.6245(5) 0.0311(4) 0.3625(3) 0.0361(15) Uani 1 1 d . . .
H6C H 0.7101 0.0403 0.3701 0.054 Uiso 1 1 d R . .
H6D H 0.5764 0.0503 0.3981 0.054 Uiso 1 1 d R . .
C37 C 0.5864(7) 0.2017(5) 0.3186(4) 0.040(2) Uani 1 1 d . . .
H37A H 0.5199 0.2132 0.3498 0.048 Uiso 1 1 calc R . .
H37B H 0.6651 0.2164 0.3383 0.048 Uiso 1 1 calc R . .
C38 C 0.5877(7) 0.0942(5) 0.3064(3) 0.0380(19) Uani 1 1 d . . .
H38A H 0.5047 0.0752 0.2937 0.046 Uiso 1 1 calc R . .
H38B H 0.6458 0.0828 0.2712 0.046 Uiso 1 1 calc R . .
N6 N 0.5693(6) 0.2725(4) 0.2652(3) 0.0500(18) Uani 1 1 d . . .
H5C H 0.6418 0.2720 0.2387 0.075 Uiso 1 1 d R . .
H5D H 0.4999 0.2531 0.2420 0.075 Uiso 1 1 d R . .
N7 N 0.0085(6) -0.0927(4) 0.4369(3) 0.0485(18) Uani 1 1 d . . .
H7C H -0.0631 -0.1320 0.4468 0.073 Uiso 1 1 d R . .
H7D H -0.0098 -0.0431 0.4036 0.073 Uiso 1 1 d R . .
C39 C 0.0430(7) -0.0432(5) 0.4922(4) 0.040(2) Uani 1 1 d . . .
H39A H 0.1273 -0.0174 0.4855 0.049 Uiso 1 1 calc R . .
H39B H 0.0446 -0.0929 0.5288 0.049 Uiso 1 1 calc R . .


_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 Ge5 2.5734(12) . ?
Ge1 Ge4 2.5843(12) . ?
Ge1 Ge3 2.5868(12) . ?
Ge1 Ge2 2.5882(11) . ?
Ge2 Ge6 2.5459(11) . ?
Ge2 Ge7 2.5591(11) . ?
Ge2 Ge3 2.7602(12) . ?
Ge2 Ge5 2.7920(11) . ?
Ge3 Ge7 2.5348(10) . ?
Ge3 Ge8 2.5641(11) . ?
Ge3 Ge4 2.7971(11) . ?
Ge4 Ge8 2.5505(11) . ?
Ge4 Ge9 2.5655(11) . ?
Ge4 Ge5 2.7986(12) . ?
Ge5 Ge9 2.5425(11) . ?
Ge5 Ge6 2.5515(11) . ?
Ge6 Ge10 2.5668(12) . ?
Ge6 Ge7 2.8089(11) . ?
Ge6 Ge9 2.8223(12) . ?
Ge7 Ge10 2.5869(10) . ?
Ge7 Ge8 2.7804(12) . ?
Ge8 Ge10 2.6114(11) . ?
Ge8 Ge9 2.7981(11) . ?
Ge9 Ge10 2.5899(11) . ?
Rb1 O6 2.840(4) . ?
Rb1 O3 2.847(4) . ?
Rb1 O2 2.854(4) . ?
Rb1 O4 2.886(4) . ?
Rb1 O1 2.888(4) . ?
Rb1 O5 2.920(4) . ?
Rb1 N2 2.988(5) . ?
Rb1 N1 3.011(5) . ?
Rb1 C15 3.651(6) . ?
Rb1 C10 3.654(6) . ?
Rb1 C8 3.674(7) . ?
Rb1 C16 3.687(6) . ?
N1 C1 1.463(8) . ?
N1 C7 1.464(8) . ?
N1 C13 1.471(8) . ?
N2 C18 1.460(8) . ?
N2 C6 1.474(8) . ?
N2 C12 1.497(8) . ?
O1 C3 1.439(7) . ?
O1 C2 1.449(7) . ?
O2 C5 1.412(7) . ?
O2 C4 1.429(7) . ?
O3 C9 1.426(7) . ?
O3 C8 1.435(8) . ?
O4 C10 1.416(7) . ?
O4 C11 1.417(7) . ?
O5 C15 1.413(7) . ?
O5 C14 1.426(7) . ?
O6 C16 1.413(7) . ?
O6 C17 1.427(7) . ?
C1 C2 1.495(9) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.484(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.522(9) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.496(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.493(9) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.508(9) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.503(9) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.502(9) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.494(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
Rb2 O8 2.827(4) . ?
Rb2 O12 2.861(4) . ?
Rb2 O9 2.866(4) . ?
Rb2 O7 2.871(4) . ?
Rb2 O10 2.882(4) . ?
Rb2 O11 2.909(4) . ?
Rb2 N4 3.003(5) . ?
Rb2 N3 3.017(5) . ?
Rb2 C21 3.620(6) . ?
Rb2 C28 3.632(6) . ?
Rb2 C26 3.654(6) . ?
Rb2 C22 3.688(6) . ?
N3 C31 1.467(8) . ?
N3 C19 1.474(7) . ?
N3 C25 1.490(7) . ?
N4 C30 1.469(7) . ?
N4 C36 1.473(7) . ?
N4 C24 1.482(8) . ?
O7 C20 1.423(7) . ?
O7 C21 1.424(7) . ?
O8 C22 1.426(7) . ?
O8 C23 1.448(7) . ?
O9 C26 1.419(7) . ?
O9 C27 1.435(7) . ?
O10 C28 1.430(6) . ?
O10 C29 1.459(7) . ?
O11 C32 1.414(7) . ?
O11 C33 1.429(7) . ?
O12 C34 1.422(7) . ?
O12 C35 1.424(7) . ?
C19 C20 1.509(9) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.484(8) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.491(8) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.497(8) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.466(9) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.488(8) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.509(8) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.484(8) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.517(9) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
N5 C38 1.474(8) . ?
N5 H6C 0.9600 . ?
N5 H6D 0.9600 . ?
C37 N6 1.443(9) . ?
C37 C38 1.486(9) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
N6 H5C 0.9600 . ?
N6 H5D 0.9600 . ?
N7 C39 1.452(9) . ?
N7 H7C 0.9600 . ?
N7 H7D 0.9600 . ?
C39 C39 1.528(13) 2_556 ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?

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
Ge5 Ge1 Ge4 65.72(3) . . ?
Ge5 Ge1 Ge3 99.19(3) . . ?
Ge4 Ge1 Ge3 65.49(3) . . ?
Ge5 Ge1 Ge2 65.49(3) . . ?
Ge4 Ge1 Ge2 99.68(3) . . ?
Ge3 Ge1 Ge2 64.47(3) . . ?
Ge6 Ge2 Ge7 66.76(3) . . ?
Ge6 Ge2 Ge1 110.40(4) . . ?
Ge7 Ge2 Ge1 110.49(4) . . ?
Ge6 Ge2 Ge3 103.83(4) . . ?
Ge7 Ge2 Ge3 56.77(3) . . ?
Ge1 Ge2 Ge3 57.74(3) . . ?
Ge6 Ge2 Ge5 56.89(3) . . ?
Ge7 Ge2 Ge5 102.95(3) . . ?
Ge1 Ge2 Ge5 57.00(3) . . ?
Ge3 Ge2 Ge5 90.10(3) . . ?
Ge7 Ge3 Ge8 66.09(3) . . ?
Ge7 Ge3 Ge1 111.32(4) . . ?
Ge8 Ge3 Ge1 109.98(4) . . ?
Ge7 Ge3 Ge2 57.61(3) . . ?
Ge8 Ge3 Ge2 103.36(3) . . ?
Ge1 Ge3 Ge2 57.79(3) . . ?
Ge7 Ge3 Ge4 103.55(3) . . ?
Ge8 Ge3 Ge4 56.61(3) . . ?
Ge1 Ge3 Ge4 57.21(3) . . ?
Ge2 Ge3 Ge4 90.69(3) . . ?
Ge8 Ge4 Ge9 66.31(3) . . ?
Ge8 Ge4 Ge1 110.49(4) . . ?
Ge9 Ge4 Ge1 109.81(4) . . ?
Ge8 Ge4 Ge3 57.08(3) . . ?
Ge9 Ge4 Ge3 102.91(3) . . ?
Ge1 Ge4 Ge3 57.30(3) . . ?
Ge8 Ge4 Ge5 102.46(4) . . ?
Ge9 Ge4 Ge5 56.38(3) . . ?
Ge1 Ge4 Ge5 56.95(3) . . ?
Ge3 Ge4 Ge5 89.21(3) . . ?
Ge9 Ge5 Ge6 67.29(3) . . ?
Ge9 Ge5 Ge1 110.90(4) . . ?
Ge6 Ge5 Ge1 110.70(4) . . ?
Ge9 Ge5 Ge2 103.63(3) . . ?
Ge6 Ge5 Ge2 56.69(3) . . ?
Ge1 Ge5 Ge2 57.51(3) . . ?
Ge9 Ge5 Ge4 57.17(3) . . ?
Ge6 Ge5 Ge4 103.89(4) . . ?
Ge1 Ge5 Ge4 57.33(3) . . ?
Ge2 Ge5 Ge4 90.00(3) . . ?
Ge2 Ge6 Ge5 66.42(3) . . ?
Ge2 Ge6 Ge10 110.36(4) . . ?
Ge5 Ge6 Ge10 109.72(4) . . ?
Ge2 Ge6 Ge7 56.84(3) . . ?
Ge5 Ge6 Ge7 102.68(3) . . ?
Ge10 Ge6 Ge7 57.32(3) . . ?
Ge2 Ge6 Ge9 102.70(3) . . ?
Ge5 Ge6 Ge9 56.20(3) . . ?
Ge10 Ge6 Ge9 57.21(3) . . ?
Ge7 Ge6 Ge9 89.51(3) . . ?
Ge3 Ge7 Ge2 65.62(3) . . ?
Ge3 Ge7 Ge10 111.17(4) . . ?
Ge2 Ge7 Ge10 109.30(4) . . ?
Ge3 Ge7 Ge8 57.46(3) . . ?
Ge2 Ge7 Ge8 102.94(3) . . ?
Ge10 Ge7 Ge8 58.09(3) . . ?
Ge3 Ge7 Ge6 102.76(3) . . ?
Ge2 Ge7 Ge6 56.39(3) . . ?
Ge10 Ge7 Ge6 56.63(3) . . ?
Ge8 Ge7 Ge6 90.27(3) . . ?
Ge4 Ge8 Ge3 66.31(3) . . ?
Ge4 Ge8 Ge10 110.17(4) . . ?
Ge3 Ge8 Ge10 109.45(4) . . ?
Ge4 Ge8 Ge7 103.60(4) . . ?
Ge3 Ge8 Ge7 56.45(3) . . ?
Ge10 Ge8 Ge7 57.24(3) . . ?
Ge4 Ge8 Ge9 57.10(3) . . ?
Ge3 Ge8 Ge9 102.92(4) . . ?
Ge10 Ge8 Ge9 57.08(3) . . ?
Ge7 Ge8 Ge9 90.59(3) . . ?
Ge5 Ge9 Ge4 66.44(3) . . ?
Ge5 Ge9 Ge10 109.27(4) . . ?
Ge4 Ge9 Ge10 110.39(4) . . ?
Ge5 Ge9 Ge8 102.68(3) . . ?
Ge4 Ge9 Ge8 56.59(3) . . ?
Ge10 Ge9 Ge8 57.83(3) . . ?
Ge5 Ge9 Ge6 56.51(3) . . ?
Ge4 Ge9 Ge6 102.87(3) . . ?
Ge10 Ge9 Ge6 56.42(3) . . ?
Ge8 Ge9 Ge6 89.63(3) . . ?
Ge6 Ge10 Ge7 66.05(3) . . ?
Ge6 Ge10 Ge9 66.37(3) . . ?
Ge7 Ge10 Ge9 99.97(3) . . ?
Ge6 Ge10 Ge8 99.82(3) . . ?
Ge7 Ge10 Ge8 64.67(3) . . ?
Ge9 Ge10 Ge8 65.09(3) . . ?
O6 Rb1 O3 111.45(12) . . ?
O6 Rb1 O2 101.77(12) . . ?
O3 Rb1 O2 140.57(13) . . ?
O6 Rb1 O4 92.81(12) . . ?
O3 Rb1 O4 59.91(12) . . ?
O2 Rb1 O4 98.91(12) . . ?
O6 Rb1 O1 144.90(12) . . ?
O3 Rb1 O1 98.97(12) . . ?
O2 Rb1 O1 59.81(12) . . ?
O4 Rb1 O1 118.16(12) . . ?
O6 Rb1 O5 59.89(12) . . ?
O3 Rb1 O5 92.45(12) . . ?
O2 Rb1 O5 123.18(12) . . ?
O4 Rb1 O5 132.27(11) . . ?
O1 Rb1 O5 103.12(12) . . ?
O6 Rb1 N2 59.86(13) . . ?
O3 Rb1 N2 119.37(13) . . ?
O2 Rb1 N2 60.92(13) . . ?
O4 Rb1 N2 60.91(13) . . ?
O1 Rb1 N2 119.43(13) . . ?
O5 Rb1 N2 118.61(13) . . ?
O6 Rb1 N1 119.33(14) . . ?
O3 Rb1 N1 60.78(13) . . ?
O2 Rb1 N1 119.55(13) . . ?
O4 Rb1 N1 119.42(13) . . ?
O1 Rb1 N1 61.18(13) . . ?
O5 Rb1 N1 60.59(13) . . ?
N2 Rb1 N1 179.19(15) . . ?
O6 Rb1 C15 41.08(13) . . ?
O3 Rb1 C15 91.91(13) . . ?
O2 Rb1 C15 127.48(13) . . ?
O4 Rb1 C15 114.60(13) . . ?
O1 Rb1 C15 124.17(13) . . ?
O5 Rb1 C15 21.34(11) . . ?
N2 Rb1 C15 100.94(14) . . ?
N1 Rb1 C15 78.25(14) . . ?
O6 Rb1 C10 92.71(13) . . ?
O3 Rb1 C10 41.01(13) . . ?
O2 Rb1 C10 119.45(14) . . ?
O4 Rb1 C10 21.11(13) . . ?
O1 Rb1 C10 122.19(13) . . ?
O5 Rb1 C10 114.98(13) . . ?
N2 Rb1 C10 78.37(14) . . ?
N1 Rb1 C10 101.79(14) . . ?
C15 Rb1 C10 101.33(14) . . ?
O6 Rb1 C8 125.93(14) . . ?
O3 Rb1 C8 20.88(13) . . ?
O2 Rb1 C8 132.12(14) . . ?
O4 Rb1 C8 76.96(14) . . ?
O1 Rb1 C8 79.95(14) . . ?
O5 Rb1 C8 88.45(14) . . ?
N2 Rb1 C8 137.86(15) . . ?
N1 Rb1 C8 42.46(15) . . ?
C15 Rb1 C8 95.51(15) . . ?
C10 Rb1 C8 60.38(15) . . ?
O6 Rb1 C16 20.12(13) . . ?
O3 Rb1 C16 109.89(14) . . ?
O2 Rb1 C16 108.59(14) . . ?
O4 Rb1 C16 109.73(13) . . ?
O1 Rb1 C16 131.75(13) . . ?
O5 Rb1 C16 40.13(13) . . ?
N2 Rb1 C16 78.74(15) . . ?
N1 Rb1 C16 100.45(16) . . ?
C15 Rb1 C16 23.62(14) . . ?
C10 Rb1 C16 104.53(14) . . ?
C8 Rb1 C16 117.75(16) . . ?
C1 N1 C7 109.7(5) . . ?
C1 N1 C13 110.4(5) . . ?
C7 N1 C13 110.5(5) . . ?
C1 N1 Rb1 108.5(4) . . ?
C7 N1 Rb1 109.2(4) . . ?
C13 N1 Rb1 108.5(4) . . ?
C18 N2 C6 107.9(5) . . ?
C18 N2 C12 109.7(5) . . ?
C6 N2 C12 110.2(5) . . ?
C18 N2 Rb1 111.9(4) . . ?
C6 N2 Rb1 109.1(4) . . ?
C12 N2 Rb1 108.1(4) . . ?
C3 O1 C2 110.3(5) . . ?
C3 O1 Rb1 114.3(3) . . ?
C2 O1 Rb1 112.3(3) . . ?
C5 O2 C4 112.1(5) . . ?
C5 O2 Rb1 117.8(3) . . ?
C4 O2 Rb1 115.2(3) . . ?
C9 O3 C8 111.6(5) . . ?
C9 O3 Rb1 116.2(4) . . ?
C8 O3 Rb1 114.1(3) . . ?
C10 O4 C11 111.0(4) . . ?
C10 O4 Rb1 111.7(3) . . ?
C11 O4 Rb1 116.5(3) . . ?
C15 O5 C14 111.6(5) . . ?
C15 O5 Rb1 109.9(3) . . ?
C14 O5 Rb1 115.2(3) . . ?
C16 O6 C17 112.6(5) . . ?
C16 O6 Rb1 116.1(3) . . ?
C17 O6 Rb1 116.9(3) . . ?
N1 C1 C2 115.4(6) . . ?
N1 C1 Rb1 49.7(3) . . ?
C2 C1 Rb1 76.4(4) . . ?
N1 C1 H1A 108.4 . . ?
C2 C1 H1A 108.4 . . ?
Rb1 C1 H1A 94.3 . . ?
N1 C1 H1B 108.4 . . ?
C2 C1 H1B 108.4 . . ?
Rb1 C1 H1B 154.1 . . ?
H1A C1 H1B 107.5 . . ?
O1 C2 C1 108.7(5) . . ?
O1 C2 Rb1 46.4(2) . . ?
C1 C2 Rb1 80.4(4) . . ?
O1 C2 H2A 109.9 . . ?
C1 C2 H2A 109.9 . . ?
Rb1 C2 H2A 86.9 . . ?
O1 C2 H2B 109.9 . . ?
C1 C2 H2B 109.9 . . ?
Rb1 C2 H2B 156.1 . . ?
H2A C2 H2B 108.3 . . ?
O1 C3 C4 110.5(5) . . ?
O1 C3 Rb1 45.0(3) . . ?
C4 C3 Rb1 77.5(3) . . ?
O1 C3 H3A 109.5 . . ?
C4 C3 H3A 109.5 . . ?
Rb1 C3 H3A 152.2 . . ?
O1 C3 H3B 109.5 . . ?
C4 C3 H3B 109.5 . . ?
Rb1 C3 H3B 93.8 . . ?
H3A C3 H3B 108.1 . . ?
O2 C4 C3 110.8(5) . . ?
C3 C4 Rb1 79.4(3) . . ?
O2 C4 H4A 109.5 . . ?
C3 C4 H4A 109.5 . . ?
Rb1 C4 H4A 152.2 . . ?
O2 C4 H4B 109.5 . . ?
C3 C4 H4B 109.5 . . ?
Rb1 C4 H4B 92.6 . . ?
H4A C4 H4B 108.1 . . ?
O2 C5 C6 111.1(5) . . ?
C6 C5 Rb1 78.7(3) . . ?
O2 C5 H5A 109.4 . . ?
C6 C5 H5A 109.4 . . ?
Rb1 C5 H5A 96.2 . . ?
O2 C5 H5B 109.4 . . ?
C6 C5 H5B 109.4 . . ?
Rb1 C5 H5B 149.2 . . ?
H5A C5 H5B 108.0 . . ?
N2 C6 C5 113.7(5) . . ?
N2 C6 Rb1 49.0(3) . . ?
C5 C6 Rb1 77.8(3) . . ?
N2 C6 H6A 108.8 . . ?
C5 C6 H6A 108.8 . . ?
Rb1 C6 H6A 91.4 . . ?
N2 C6 H6B 108.8 . . ?
C5 C6 H6B 108.8 . . ?
Rb1 C6 H6B 155.6 . . ?
H6A C6 H6B 107.7 . . ?
N1 C7 C8 115.1(6) . . ?
N1 C7 H7A 108.5 . . ?
C8 C7 H7A 108.5 . . ?
N1 C7 H7B 108.5 . . ?
C8 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
O3 C8 C7 108.9(5) . . ?
O3 C8 Rb1 45.0(3) . . ?
C7 C8 Rb1 81.4(4) . . ?
O3 C8 H8A 109.9 . . ?
C7 C8 H8A 109.9 . . ?
Rb1 C8 H8A 87.6 . . ?
O3 C8 H8B 109.9 . . ?
C7 C8 H8B 109.9 . . ?
Rb1 C8 H8B 154.7 . . ?
H8A C8 H8B 108.3 . . ?
O3 C9 C10 110.5(5) . . ?
C10 C9 Rb1 76.4(3) . . ?
O3 C9 H9A 109.5 . . ?
C10 C9 H9A 109.5 . . ?
Rb1 C9 H9A 149.1 . . ?
O3 C9 H9B 109.5 . . ?
C10 C9 H9B 109.5 . . ?
Rb1 C9 H9B 97.5 . . ?
H9A C9 H9B 108.1 . . ?
O4 C10 C9 110.3(5) . . ?
O4 C10 Rb1 47.2(3) . . ?
C9 C10 Rb1 80.2(3) . . ?
O4 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
Rb1 C10 H10A 156.4 . . ?
O4 C10 H10B 109.6 . . ?
C9 C10 H10B 109.6 . . ?
Rb1 C10 H10B 87.5 . . ?
H10A C10 H10B 108.1 . . ?
O4 C11 C12 110.3(5) . . ?
C12 C11 Rb1 78.2(4) . . ?
O4 C11 H11A 109.6 . . ?
C12 C11 H11A 109.6 . . ?
Rb1 C11 H11A 94.4 . . ?
O4 C11 H11B 109.6 . . ?
C12 C11 H11B 109.6 . . ?
Rb1 C11 H11B 151.0 . . ?
H11A C11 H11B 108.1 . . ?
N2 C12 C11 112.9(6) . . ?
N2 C12 Rb1 49.5(3) . . ?
C11 C12 Rb1 78.5(3) . . ?
N2 C12 H12A 109.0 . . ?
C11 C12 H12A 109.0 . . ?
Rb1 C12 H12A 89.0 . . ?
N2 C12 H12B 109.0 . . ?
C11 C12 H12B 109.0 . . ?
Rb1 C12 H12B 157.2 . . ?
H12A C12 H12B 107.8 . . ?
N1 C13 C14 114.3(5) . . ?
N1 C13 Rb1 49.7(3) . . ?
C14 C13 Rb1 78.8(4) . . ?
N1 C13 H13A 108.7 . . ?
C14 C13 H13A 108.7 . . ?
Rb1 C13 H13A 89.9 . . ?
N1 C13 H13B 108.7 . . ?
C14 C13 H13B 108.7 . . ?
Rb1 C13 H13B 156.7 . . ?
H13A C13 H13B 107.6 . . ?
O5 C14 C13 110.2(5) . . ?
O5 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
O5 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
O5 C15 C16 109.3(5) . . ?
O5 C15 Rb1 48.8(3) . . ?
C16 C15 Rb1 79.5(3) . . ?
O5 C15 H15A 109.8 . . ?
C16 C15 H15A 109.8 . . ?
Rb1 C15 H15A 158.4 . . ?
O5 C15 H15B 109.8 . . ?
C16 C15 H15B 109.8 . . ?
Rb1 C15 H15B 85.5 . . ?
H15A C15 H15B 108.3 . . ?
O6 C16 C15 110.8(5) . . ?
C15 C16 Rb1 76.8(3) . . ?
O6 C16 H16A 109.5 . . ?
C15 C16 H16A 109.5 . . ?
Rb1 C16 H16A 149.5 . . ?
O6 C16 H16B 109.5 . . ?
C15 C16 H16B 109.5 . . ?
Rb1 C16 H16B 97.0 . . ?
H16A C16 H16B 108.1 . . ?
O6 C17 C18 110.3(5) . . ?
C18 C17 Rb1 81.2(4) . . ?
O6 C17 H17A 109.6 . . ?
C18 C17 H17A 109.6 . . ?
Rb1 C17 H17A 91.4 . . ?
O6 C17 H17B 109.6 . . ?
C18 C17 H17B 109.6 . . ?
Rb1 C17 H17B 151.8 . . ?
H17A C17 H17B 108.1 . . ?
N2 C18 C17 113.6(5) . . ?
N2 C18 H18A 108.9 . . ?
C17 C18 H18A 108.9 . . ?
N2 C18 H18B 108.9 . . ?
C17 C18 H18B 108.9 . . ?
H18A C18 H18B 107.7 . . ?
O8 Rb2 O12 102.14(12) . . ?
O8 Rb2 O9 108.96(12) . . ?
O12 Rb2 O9 142.71(12) . . ?
O8 Rb2 O7 60.30(12) . . ?
O12 Rb2 O7 124.95(11) . . ?
O9 Rb2 O7 88.95(11) . . ?
O8 Rb2 O10 90.30(12) . . ?
O12 Rb2 O10 100.46(12) . . ?
O9 Rb2 O10 60.14(11) . . ?
O7 Rb2 O10 128.66(11) . . ?
O8 Rb2 O11 144.48(11) . . ?
O12 Rb2 O11 59.31(11) . . ?
O9 Rb2 O11 101.49(11) . . ?
O7 Rb2 O11 103.43(12) . . ?
O10 Rb2 O11 121.22(11) . . ?
O8 Rb2 N4 59.79(13) . . ?
O12 Rb2 N4 60.75(13) . . ?
O9 Rb2 N4 119.58(12) . . ?
O7 Rb2 N4 119.14(13) . . ?
O10 Rb2 N4 60.84(12) . . ?
O11 Rb2 N4 118.99(12) . . ?
O8 Rb2 N3 120.09(13) . . ?
O12 Rb2 N3 119.38(13) . . ?
O9 Rb2 N3 60.36(12) . . ?
O7 Rb2 N3 60.76(13) . . ?
O10 Rb2 N3 119.12(12) . . ?
O11 Rb2 N3 61.15(12) . . ?
N4 Rb2 N3 179.86(15) . . ?
O8 Rb2 C21 41.40(13) . . ?
O12 Rb2 C21 129.26(13) . . ?
O9 Rb2 C21 88.02(13) . . ?
O7 Rb2 C21 21.65(12) . . ?
O10 Rb2 C21 110.71(13) . . ?
O11 Rb2 C21 124.78(13) . . ?
N4 Rb2 C21 101.15(14) . . ?
N3 Rb2 C21 78.73(14) . . ?
O8 Rb2 C28 88.88(13) . . ?
O12 Rb2 C28 121.88(13) . . ?
O9 Rb2 C28 41.25(12) . . ?
O7 Rb2 C28 110.16(13) . . ?
O10 Rb2 C28 21.70(12) . . ?
O11 Rb2 C28 126.52(13) . . ?
N4 Rb2 C28 78.33(13) . . ?
N3 Rb2 C28 101.60(13) . . ?
C21 Rb2 C28 95.93(14) . . ?
O8 Rb2 C26 124.77(13) . . ?
O12 Rb2 C26 132.83(13) . . ?
O9 Rb2 C26 21.01(12) . . ?
O7 Rb2 C26 86.85(13) . . ?
O10 Rb2 C26 76.71(13) . . ?
O11 Rb2 C26 81.66(12) . . ?
N4 Rb2 C26 137.56(13) . . ?
N3 Rb2 C26 42.41(13) . . ?
C21 Rb2 C26 93.67(14) . . ?
C28 Rb2 C26 60.59(14) . . ?
O8 Rb2 C22 20.27(13) . . ?
O12 Rb2 C22 110.35(13) . . ?
O9 Rb2 C22 105.86(13) . . ?
O7 Rb2 C22 40.23(13) . . ?
O10 Rb2 C22 106.32(13) . . ?
O11 Rb2 C22 132.26(13) . . ?
N4 Rb2 C22 79.18(14) . . ?
N3 Rb2 C22 100.72(14) . . ?
C21 Rb2 C22 23.41(13) . . ?
C28 Rb2 C22 99.27(14) . . ?
C26 Rb2 C22 115.61(15) . . ?
C31 N3 C19 111.2(5) . . ?
C31 N3 C25 109.2(5) . . ?
C19 N3 C25 109.8(5) . . ?
C31 N3 Rb2 108.1(3) . . ?
C19 N3 Rb2 107.7(4) . . ?
C25 N3 Rb2 110.8(4) . . ?
C30 N4 C36 110.7(5) . . ?
C30 N4 C24 109.6(5) . . ?
C36 N4 C24 108.1(5) . . ?
C30 N4 Rb2 107.7(3) . . ?
C36 N4 Rb2 108.7(4) . . ?
C24 N4 Rb2 112.0(4) . . ?
C20 O7 C21 112.1(4) . . ?
C20 O7 Rb2 117.9(3) . . ?
C21 O7 Rb2 110.3(3) . . ?
C22 O8 C23 113.0(4) . . ?
C22 O8 Rb2 116.3(4) . . ?
C23 O8 Rb2 117.0(3) . . ?
C26 O9 C27 113.7(4) . . ?
C26 O9 Rb2 112.6(3) . . ?
C27 O9 Rb2 114.9(3) . . ?
C28 O10 C29 111.4(4) . . ?
C28 O10 Rb2 110.1(3) . . ?
C29 O10 Rb2 116.7(3) . . ?
C32 O11 C33 111.9(4) . . ?
C32 O11 Rb2 112.8(3) . . ?
C33 O11 Rb2 113.2(3) . . ?
C34 O12 C35 111.6(5) . . ?
C34 O12 Rb2 116.0(3) . . ?
C35 O12 Rb2 117.0(3) . . ?
N3 C19 C20 114.7(5) . . ?
N3 C19 Rb2 50.2(3) . . ?
C20 C19 Rb2 78.9(3) . . ?
N3 C19 H19A 108.6 . . ?
C20 C19 H19A 108.6 . . ?
Rb2 C19 H19A 157.3 . . ?
N3 C19 H19B 108.6 . . ?
C20 C19 H19B 108.6 . . ?
Rb2 C19 H19B 89.4 . . ?
H19A C19 H19B 107.6 . . ?
O7 C20 C19 110.5(5) . . ?
O7 C20 H20A 109.5 . . ?
C19 C20 H20A 109.5 . . ?
O7 C20 H20B 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?
O7 C21 C22 110.0(5) . . ?
O7 C21 Rb2 48.1(3) . . ?
C22 C21 Rb2 80.9(3) . . ?
O7 C21 H21A 109.7 . . ?
C22 C21 H21A 109.7 . . ?
Rb2 C21 H21A 85.5 . . ?
O7 C21 H21B 109.7 . . ?
C22 C21 H21B 109.7 . . ?
Rb2 C21 H21B 157.6 . . ?
H21A C21 H21B 108.2 . . ?
O8 C22 C21 110.9(5) . . ?
C21 C22 Rb2 75.7(3) . . ?
O8 C22 H22A 109.5 . . ?
C21 C22 H22A 109.5 . . ?
Rb2 C22 H22A 99.3 . . ?
O8 C22 H22B 109.5 . . ?
C21 C22 H22B 109.5 . . ?
Rb2 C22 H22B 147.8 . . ?
H22A C22 H22B 108.1 . . ?
O8 C23 C24 109.5(5) . . ?
C24 C23 Rb2 82.3(4) . . ?
O8 C23 H23A 109.8 . . ?
C24 C23 H23A 109.8 . . ?
Rb2 C23 H23A 152.0 . . ?
O8 C23 H23B 109.8 . . ?
C24 C23 H23B 109.8 . . ?
Rb2 C23 H23B 90.0 . . ?
H23A C23 H23B 108.2 . . ?
N4 C24 C23 113.4(5) . . ?
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 . . ?
N3 C25 C26 112.6(5) . . ?
N3 C25 H25A 109.1 . . ?
C26 C25 H25A 109.1 . . ?
N3 C25 H25B 109.1 . . ?
C26 C25 H25B 109.1 . . ?
H25A C25 H25B 107.8 . . ?
O9 C26 C25 110.7(5) . . ?
O9 C26 Rb2 46.4(2) . . ?
C25 C26 Rb2 84.3(3) . . ?
O9 C26 H26A 109.5 . . ?
C25 C26 H26A 109.5 . . ?
Rb2 C26 H26A 155.9 . . ?
O9 C26 H26B 109.5 . . ?
C25 C26 H26B 109.5 . . ?
Rb2 C26 H26B 84.4 . . ?
H26A C26 H26B 108.1 . . ?
O9 C27 C28 111.5(5) . . ?
C28 C27 Rb2 75.7(3) . . ?
O9 C27 H27A 109.3 . . ?
C28 C27 H27A 109.3 . . ?
Rb2 C27 H27A 98.4 . . ?
O9 C27 H27B 109.3 . . ?
C28 C27 H27B 109.3 . . ?
Rb2 C27 H27B 149.0 . . ?
H27A C27 H27B 108.0 . . ?
O10 C28 C27 109.9(5) . . ?
O10 C28 Rb2 48.2(3) . . ?
C27 C28 Rb2 81.3(3) . . ?
O10 C28 H28A 109.7 . . ?
C27 C28 H28A 109.7 . . ?
Rb2 C28 H28A 84.8 . . ?
O10 C28 H28B 109.7 . . ?
C27 C28 H28B 109.7 . . ?
Rb2 C28 H28B 157.8 . . ?
H28A C28 H28B 108.2 . . ?
O10 C29 C30 109.5(5) . . ?
O10 C29 H29A 109.8 . . ?
C30 C29 H29A 109.8 . . ?
O10 C29 H29B 109.8 . . ?
C30 C29 H29B 109.8 . . ?
H29A C29 H29B 108.2 . . ?
N4 C30 C29 114.8(5) . . ?
N4 C30 Rb2 50.2(3) . . ?
C29 C30 Rb2 80.4(4) . . ?
N4 C30 H30A 108.6 . . ?
C29 C30 H30A 108.6 . . ?
Rb2 C30 H30A 158.0 . . ?
N4 C30 H30B 108.6 . . ?
C29 C30 H30B 108.6 . . ?
Rb2 C30 H30B 87.6 . . ?
H30A C30 H30B 107.5 . . ?
N3 C31 C32 115.2(5) . . ?
N3 C31 Rb2 50.0(3) . . ?
C32 C31 Rb2 76.5(3) . . ?
N3 C31 H31A 108.5 . . ?
C32 C31 H31A 108.5 . . ?
Rb2 C31 H31A 154.7 . . ?
N3 C31 H31B 108.5 . . ?
C32 C31 H31B 108.5 . . ?
Rb2 C31 H31B 93.7 . . ?
H31A C31 H31B 107.5 . . ?
O11 C32 C31 110.0(5) . . ?
O11 C32 Rb2 46.6(3) . . ?
C31 C32 Rb2 80.1(3) . . ?
O11 C32 H32A 109.7 . . ?
C31 C32 H32A 109.7 . . ?
Rb2 C32 H32A 155.7 . . ?
O11 C32 H32B 109.7 . . ?
C31 C32 H32B 109.7 . . ?
Rb2 C32 H32B 88.1 . . ?
H32A C32 H32B 108.2 . . ?
O11 C33 C34 110.7(5) . . ?
O11 C33 Rb2 46.1(3) . . ?
C34 C33 Rb2 78.5(3) . . ?
O11 C33 H33A 109.5 . . ?
C34 C33 H33A 109.5 . . ?
Rb2 C33 H33A 91.3 . . ?
O11 C33 H33B 109.5 . . ?
C34 C33 H33B 109.5 . . ?
Rb2 C33 H33B 154.1 . . ?
H33A C33 H33B 108.1 . . ?
O12 C34 C33 109.8(5) . . ?
C33 C34 Rb2 78.4(3) . . ?
O12 C34 H34A 109.7 . . ?
C33 C34 H34A 109.7 . . ?
Rb2 C34 H34A 93.5 . . ?
O12 C34 H34B 109.7 . . ?
C33 C34 H34B 109.7 . . ?
Rb2 C34 H34B 151.6 . . ?
H34A C34 H34B 108.2 . . ?
O12 C35 C36 109.6(5) . . ?
C36 C35 Rb2 78.9(3) . . ?
O12 C35 H35A 109.7 . . ?
C36 C35 H35A 109.7 . . ?
Rb2 C35 H35A 151.1 . . ?
O12 C35 H35B 109.7 . . ?
C36 C35 H35B 109.7 . . ?
Rb2 C35 H35B 93.6 . . ?
H35A C35 H35B 108.2 . . ?
N4 C36 C35 113.9(5) . . ?
N4 C36 Rb2 49.4(3) . . ?
C35 C36 Rb2 77.7(4) . . ?
N4 C36 H36A 108.8 . . ?
C35 C36 H36A 108.8 . . ?
Rb2 C36 H36A 155.9 . . ?
N4 C36 H36B 108.8 . . ?
C35 C36 H36B 108.8 . . ?
Rb2 C36 H36B 91.2 . . ?
H36A C36 H36B 107.7 . . ?
C38 N5 H6C 109.5 . . ?
C38 N5 H6D 108.8 . . ?
H6C N5 H6D 109.5 . . ?
N6 C37 C38 117.1(6) . . ?
N6 C37 H37A 108.0 . . ?
C38 C37 H37A 108.0 . . ?
N6 C37 H37B 108.0 . . ?
C38 C37 H37B 108.0 . . ?
H37A C37 H37B 107.3 . . ?
N5 C38 C37 111.4(6) . . ?
N5 C38 H38A 109.3 . . ?
C37 C38 H38A 109.3 . . ?
N5 C38 H38B 109.3 . . ?
C37 C38 H38B 109.3 . . ?
H38A C38 H38B 108.0 . . ?
C37 N6 H5C 108.9 . . ?
C37 N6 H5D 108.9 . . ?
H5C N6 H5D 109.5 . . ?
C39 N7 H7C 109.2 . . ?
C39 N7 H7D 108.9 . . ?
H7C N7 H7D 109.5 . . ?
N7 C39 C39 114.1(8) . 2_556 ?
N7 C39 H39A 108.7 . . ?
C39 C39 H39A 108.7 2_556 . ?
N7 C39 H39B 108.7 . . ?
C39 C39 H39B 108.7 2_556 . ?
H39A C39 H39B 107.6 . . ?

_diffrn_measured_fraction_theta_max 0.948
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.948
_refine_diff_density_max         1.118
_refine_diff_density_min         -0.870
_refine_diff_density_rms         0.143


#============================================================================== 
# END of CIF  
#==============================================================================
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_solvent_exptl_crystal_recrystallization_method ethylenediamine/toluene
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive,Pyrophoric
