# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_11_a
_database_code_depnum_ccdc_archive 'CCDC 1889601'
loop_
_audit_author_name
_audit_author_address
'Gengwen Tan'
;Nanjing University
China
;
_audit_update_record             
;
2019-01-09 deposited with the CCDC.	2020-01-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H74 As2 Ge2 N4'
_chemical_formula_weight         1074.19

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
As As -1.2701 0.7845 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.5187 0.6907 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   21.3357(6)
_cell_length_b                   15.3136(4)
_cell_length_c                   16.1347(5)
_cell_angle_alpha                90
_cell_angle_beta                 93.7100(10)
_cell_angle_gamma                90
_cell_volume                     5260.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9841
_cell_measurement_theta_min      4.40
_cell_measurement_theta_max      53.99

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_F_000             2224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    2.039
_shelx_estimated_absorpt_T_min   0.838
_shelx_estimated_absorpt_T_max   0.923
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            92072
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_av_R_equivalents  0.0755
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.805
_diffrn_reflns_theta_max         53.499
_diffrn_reflns_theta_full        53.499
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9471
_reflns_number_gt                8058
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0772P)²+1.5706P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9471
_refine_ls_number_parameters     563
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0425
_refine_ls_wR_factor_ref         0.1176
_refine_ls_wR_factor_gt          0.1103
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.93896(2) 0.46420(2) 0.48672(2) 0.023 Uani 1 1 d . . . . .
As1 As 0.97225(2) 0.56763(2) 0.58934(2) 0.02745(7) Uani 1 1 d . . . . .
Ge2 Ge 0.55134(2) 0.94121(2) 0.50285(2) 0.027 Uani 1 1 d . . . . .
As2 As 0.53577(2) 1.06206(2) 0.41314(2) 0.03288(8) Uani 1 1 d . . . . .
C1 C 0.77495(17) 0.3891(3) 0.6672(2) 0.0575(9) Uani 1 1 d . . . . .
H1A H 0.7667 0.3521 0.7149 0.086 Uiso 1 1 calc R U . . .
H1B H 0.7674 0.3556 0.6158 0.086 Uiso 1 1 calc R U . . .
H1C H 0.7470 0.4399 0.6662 0.086 Uiso 1 1 calc R U . . .
C2 C 0.84315(15) 0.4198(2) 0.67482(19) 0.0397(7) Uani 1 1 d . . . . .
H2 H 0.8502 0.4561 0.6247 0.048 Uiso 1 1 calc R U . . .
C3 C 0.85558(19) 0.4780(2) 0.7509(2) 0.0560(9) Uani 1 1 d . . . . .
H3A H 0.8464 0.4454 0.8010 0.084 Uiso 1 1 calc R U . . .
H3B H 0.8286 0.5297 0.7458 0.084 Uiso 1 1 calc R U . . .
H3C H 0.8997 0.4962 0.7548 0.084 Uiso 1 1 calc R U . . .
C4 C 0.88701(14) 0.34166(18) 0.67321(17) 0.0339(6) Uani 1 1 d . . . . .
C5 C 0.90084(16) 0.2927(2) 0.74450(19) 0.0439(8) Uani 1 1 d . . . . .
H5 H 0.8843 0.3101 0.7952 0.053 Uiso 1 1 calc R U . . .
C6 C 0.93796(17) 0.2195(2) 0.7432(2) 0.0482(8) Uani 1 1 d . . . . .
H6 H 0.9471 0.1873 0.7928 0.058 Uiso 1 1 calc R U . . .
C7 C 0.96192(15) 0.1929(2) 0.67006(19) 0.0422(7) Uani 1 1 d . . . . .
H7 H 0.9878 0.1424 0.6701 0.051 Uiso 1 1 calc R U . . .
C8 C 0.94903(14) 0.23822(18) 0.59625(17) 0.0334(6) Uani 1 1 d . . . . .
C9 C 0.91168(13) 0.31327(17) 0.59948(16) 0.0283(6) Uani 1 1 d . . . . .
C10 C 0.97300(14) 0.20322(19) 0.51610(18) 0.0356(6) Uani 1 1 d . . . . .
H10 H 0.9630 0.2474 0.4715 0.043 Uiso 1 1 calc R U . . .
C11 C 0.93991(17) 0.1175(2) 0.4898(2) 0.0504(8) Uani 1 1 d . . . . .
H11A H 0.9545 0.0983 0.4364 0.076 Uiso 1 1 calc R U . . .
H11B H 0.8944 0.1270 0.4842 0.076 Uiso 1 1 calc R U . . .
H11C H 0.9497 0.0727 0.5319 0.076 Uiso 1 1 calc R U . . .
C12 C 1.04373(16) 0.1900(3) 0.5227(2) 0.0538(9) Uani 1 1 d . . . . .
H12A H 1.0644 0.2448 0.5398 0.081 Uiso 1 1 calc R U . . .
H12B H 1.0577 0.1720 0.4686 0.081 Uiso 1 1 calc R U . . .
H12C H 1.0546 0.1446 0.5640 0.081 Uiso 1 1 calc R U . . .
C13 C 0.85029(13) 0.31946(18) 0.47345(17) 0.0316(6) Uani 1 1 d . . . . .
H13 H 0.8388 0.2621 0.4889 0.038 Uiso 1 1 calc R U . . .
C14 C 0.82090(13) 0.35248(19) 0.40164(18) 0.0341(6) Uani 1 1 d . . . . .
H14 H 0.7969 0.3140 0.3660 0.041 Uiso 1 1 calc R U . . .
C15 C 0.82485(13) 0.43936(17) 0.37931(17) 0.0296(6) Uani 1 1 d . . . . .
H15 H 0.7976 0.4589 0.3342 0.036 Uiso 1 1 calc R U . . .
C16 C 0.85384(12) 0.58695(18) 0.38758(16) 0.0280(6) Uani 1 1 d . . . . .
C17 C 0.87119(13) 0.61173(19) 0.30953(17) 0.0330(6) Uani 1 1 d . . . . .
C18 C 0.85845(16) 0.6976(2) 0.2847(2) 0.0451(8) Uani 1 1 d . . . . .
H18 H 0.8708 0.7170 0.2323 0.054 Uiso 1 1 calc R U . . .
C19 C 0.82851(17) 0.7543(2) 0.3344(2) 0.0514(9) Uani 1 1 d . . . . .
H19 H 0.8197 0.8121 0.3158 0.062 Uiso 1 1 calc R U . . .
C20 C 0.81109(16) 0.7282(2) 0.4113(2) 0.0461(8) Uani 1 1 d . . . . .
H20 H 0.7898 0.7681 0.4448 0.055 Uiso 1 1 calc R U . . .
C21 C 0.82418(13) 0.64415(19) 0.44065(17) 0.0341(6) Uani 1 1 d . . . . .
C22 C 0.80379(14) 0.6149(2) 0.52456(17) 0.0367(7) Uani 1 1 d . . . . .
H22 H 0.8325 0.5663 0.5437 0.044 Uiso 1 1 calc R U . . .
C23 C 0.73709(16) 0.5770(2) 0.5166(2) 0.0475(8) Uani 1 1 d . . . . .
H23A H 0.7085 0.6197 0.4892 0.071 Uiso 1 1 calc R U . . .
H23B H 0.7233 0.5638 0.5720 0.071 Uiso 1 1 calc R U . . .
H23C H 0.7369 0.5234 0.4834 0.071 Uiso 1 1 calc R U . . .
C24 C 0.81005(16) 0.6859(2) 0.5906(2) 0.0500(8) Uani 1 1 d . . . . .
H24A H 0.7819 0.7344 0.5746 0.075 Uiso 1 1 calc R U . . .
H24B H 0.8535 0.7069 0.5957 0.075 Uiso 1 1 calc R U . . .
H24C H 0.7988 0.6620 0.6440 0.075 Uiso 1 1 calc R U . . .
C25 C 0.90030(14) 0.5501(2) 0.24922(17) 0.0364(7) Uani 1 1 d . . . . .
H25 H 0.9085 0.4932 0.2783 0.044 Uiso 1 1 calc R U . . .
C26 C 0.96236(16) 0.5840(2) 0.2217(2) 0.0506(8) Uani 1 1 d . . . . .
H26A H 0.9558 0.6410 0.1947 0.076 Uiso 1 1 calc R U . . .
H26B H 0.9792 0.5428 0.1824 0.076 Uiso 1 1 calc R U . . .
H26C H 0.9921 0.5903 0.2702 0.076 Uiso 1 1 calc R U . . .
C27 C 0.85471(17) 0.5331(3) 0.1737(2) 0.0519(9) Uani 1 1 d . . . . .
H27A H 0.8479 0.5874 0.1422 0.078 Uiso 1 1 calc R U . . .
H27B H 0.8146 0.5123 0.1924 0.078 Uiso 1 1 calc R U . . .
H27C H 0.8725 0.4888 0.1382 0.078 Uiso 1 1 calc R U . . .
C28 C 0.6101(2) 0.9545(3) 0.2233(3) 0.0660(11) Uani 1 1 d . . . . .
H28A H 0.6462 0.9941 0.2288 0.099 Uiso 1 1 calc R U . . .
H28B H 0.5712 0.9883 0.2255 0.099 Uiso 1 1 calc R U . . .
H28C H 0.6101 0.9237 0.1701 0.099 Uiso 1 1 calc R U . . .
C29 C 0.61443(16) 0.8887(2) 0.2939(2) 0.0463(8) Uani 1 1 d . . . . .
H29 H 0.6183 0.9224 0.3471 0.056 Uiso 1 1 calc R U . . .
C30 C 0.67366(19) 0.8335(3) 0.2900(3) 0.0686(11) Uani 1 1 d . . . . .
H30A H 0.6701 0.7964 0.2405 0.103 Uiso 1 1 calc R U . . .
H30B H 0.6788 0.7968 0.3397 0.103 Uiso 1 1 calc R U . . .
H30C H 0.7102 0.8719 0.2874 0.103 Uiso 1 1 calc R U . . .
C31 C 0.55699(16) 0.8304(2) 0.29696(19) 0.0444(8) Uani 1 1 d . . . . .
C32 C 0.5264(2) 0.8000(2) 0.2236(2) 0.0593(10) Uani 1 1 d . . . . .
H32 H 0.5408 0.8174 0.1716 0.071 Uiso 1 1 calc R U . . .
C33 C 0.4753(2) 0.7448(2) 0.2260(2) 0.0676(12) Uani 1 1 d . . . . .
H33 H 0.4545 0.7253 0.1755 0.081 Uiso 1 1 calc R U . . .
C34 C 0.4543(2) 0.7178(2) 0.3002(2) 0.0605(10) Uani 1 1 d . . . . .
H34 H 0.4193 0.6796 0.3002 0.073 Uiso 1 1 calc R U . . .
C35 C 0.48339(16) 0.7453(2) 0.3762(2) 0.0448(8) Uani 1 1 d . . . . .
C36 C 0.53479(14) 0.80200(18) 0.37245(18) 0.0361(7) Uani 1 1 d . . . . .
C37 C 0.46019(16) 0.7115(2) 0.4573(2) 0.0477(8) Uani 1 1 d . . . . .
H37 H 0.4829 0.7444 0.5036 0.057 Uiso 1 1 calc R U . . .
C38 C 0.4757(2) 0.6143(2) 0.4696(3) 0.0624(10) Uani 1 1 d . . . . .
H38A H 0.4633 0.5955 0.5242 0.094 Uiso 1 1 calc R U . . .
H38B H 0.5209 0.6053 0.4661 0.094 Uiso 1 1 calc R U . . .
H38C H 0.4527 0.5800 0.4262 0.094 Uiso 1 1 calc R U . . .
C39 C 0.39034(18) 0.7266(3) 0.4635(3) 0.0727(12) Uani 1 1 d . . . . .
H39A H 0.3812 0.7891 0.4575 0.109 Uiso 1 1 calc R U . . .
H39B H 0.3780 0.7064 0.5177 0.109 Uiso 1 1 calc R U . . .
H39C H 0.3668 0.6942 0.4194 0.109 Uiso 1 1 calc R U . . .
C40 C 0.60339(14) 0.76658(18) 0.48650(17) 0.0340(6) Uani 1 1 d . . . . .
H40 H 0.6005 0.7096 0.4633 0.041 Uiso 1 1 calc R U . . .
C41 C 0.64297(14) 0.77707(19) 0.55642(18) 0.0364(7) Uani 1 1 d . . . . .
H41 H 0.6594 0.7263 0.5838 0.044 Uiso 1 1 calc R U . . .
C42 C 0.65994(13) 0.85746(19) 0.58865(17) 0.0329(6) Uani 1 1 d . . . . .
H42 H 0.6930 0.8586 0.6311 0.040 Uiso 1 1 calc R U . . .
C43 C 0.72038(19) 1.1154(3) 0.4103(2) 0.0610(10) Uani 1 1 d . . . . .
H43A H 0.6851 1.1556 0.4158 0.091 Uiso 1 1 calc R U . . .
H43B H 0.7210 1.0960 0.3524 0.091 Uiso 1 1 calc R U . . .
H43C H 0.7599 1.1453 0.4266 0.091 Uiso 1 1 calc R U . . .
C44 C 0.71284(15) 1.0367(2) 0.46608(19) 0.0407(7) Uani 1 1 d . . . . .
H44 H 0.6745 1.0046 0.4440 0.049 Uiso 1 1 calc R U . . .
C45 C 0.76839(18) 0.9741(2) 0.4618(2) 0.0548(9) Uani 1 1 d . . . . .
H45A H 0.7727 0.9568 0.4040 0.082 Uiso 1 1 calc R U . . .
H45B H 0.7611 0.9222 0.4954 0.082 Uiso 1 1 calc R U . . .
H45C H 0.8070 1.0033 0.4834 0.082 Uiso 1 1 calc R U . . .
C46 C 0.70273(14) 1.06066(19) 0.55552(19) 0.0361(7) Uani 1 1 d . . . . .
C47 C 0.73506(16) 1.1299(2) 0.5946(2) 0.0472(8) Uani 1 1 d . . . . .
H47 H 0.7621 1.1649 0.5639 0.057 Uiso 1 1 calc R U . . .
C48 C 0.72841(17) 1.1483(2) 0.6774(2) 0.0511(9) Uani 1 1 d . . . . .
H48 H 0.7506 1.1960 0.7030 0.061 Uiso 1 1 calc R U . . .
C49 C 0.68980(16) 1.0981(2) 0.7230(2) 0.0433(7) Uani 1 1 d . . . . .
H49 H 0.6852 1.1123 0.7796 0.052 Uiso 1 1 calc R U . . .
C50 C 0.65717(14) 1.02680(19) 0.68799(18) 0.0345(6) Uani 1 1 d . . . . .
C51 C 0.66422(13) 1.00957(18) 0.60347(17) 0.0302(6) Uani 1 1 d . . . . .
C52 C 0.61881(15) 0.9694(2) 0.74179(18) 0.0390(7) Uani 1 1 d . . . . .
H52 H 0.5952 0.9267 0.7047 0.047 Uiso 1 1 calc R U . . .
C53 C 0.6614(2) 0.9175(3) 0.8040(2) 0.0647(11) Uani 1 1 d . . . . .
H53A H 0.6923 0.8847 0.7742 0.097 Uiso 1 1 calc R U . . .
H53B H 0.6359 0.8769 0.8345 0.097 Uiso 1 1 calc R U . . .
H53C H 0.6833 0.9579 0.8432 0.097 Uiso 1 1 calc R U . . .
C54 C 0.57118(19) 1.0215(3) 0.7873(2) 0.0652(11) Uani 1 1 d . . . . .
H54A H 0.5932 1.0622 0.8260 0.098 Uiso 1 1 calc R U . . .
H54B H 0.5455 0.9816 0.8183 0.098 Uiso 1 1 calc R U . . .
H54C H 0.5441 1.0544 0.7471 0.098 Uiso 1 1 calc R U . . .
N1 N 0.89286(10) 0.35956(14) 0.52298(13) 0.0262(5) Uani 1 1 d . . . . .
N2 N 0.86327(10) 0.49750(14) 0.41535(12) 0.0247(4) Uani 1 1 d . . . . .
N3 N 0.56899(11) 0.82791(14) 0.44844(14) 0.0319(5) Uani 1 1 d . . . . .
N4 N 0.63451(11) 0.93342(14) 0.56604(14) 0.0279(5) 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
Ge1 N1 1.988(2) . ?
Ge1 N2 1.988(2) . ?
Ge1 As1 2.3668(4) . ?
Ge1 As1 2.3733(4) 3_766 ?
Ge1 Ge1 2.8328(6) 3_766 ?
As1 Ge1 2.3733(4) 3_766 ?
Ge2 N3 1.991(2) . ?
Ge2 N4 1.992(2) . ?
Ge2 As2 2.3597(4) . ?
Ge2 As2 2.3706(5) 3_676 ?
Ge2 Ge2 2.8326(6) 3_676 ?
As2 Ge2 2.3706(5) 3_676 ?
C1 C2 1.527(5) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C4 1.520(4) . ?
C2 C3 1.526(4) . ?
C2 H2 1.0000 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.389(4) . ?
C4 C9 1.401(4) . ?
C5 C6 1.373(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.379(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.390(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.401(4) . ?
C8 C10 1.519(4) . ?
C9 N1 1.457(3) . ?
C10 C12 1.519(4) . ?
C10 C11 1.537(4) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 N1 1.322(3) . ?
C13 C14 1.378(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.382(4) . ?
C14 H14 0.9500 . ?
C15 N2 1.319(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.388(4) . ?
C16 C21 1.404(4) . ?
C16 N2 1.451(3) . ?
C17 C18 1.396(4) . ?
C17 C25 1.517(4) . ?
C18 C19 1.368(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.376(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.394(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.516(4) . ?
C22 C24 1.521(4) . ?
C22 C23 1.534(4) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.515(4) . ?
C25 C27 1.531(4) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.519(5) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C31 1.519(5) . ?
C29 C30 1.525(5) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.395(5) . ?
C31 C36 1.404(4) . ?
C32 C33 1.381(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.369(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.404(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.403(4) . ?
C35 C37 1.519(5) . ?
C36 N3 1.441(4) . ?
C37 C39 1.518(5) . ?
C37 C38 1.535(5) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 N3 1.319(3) . ?
C40 C41 1.374(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.376(4) . ?
C41 H41 0.9500 . ?
C42 N4 1.325(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.519(5) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C46 1.518(4) . ?
C44 C45 1.530(5) . ?
C44 H44 1.0000 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.393(4) . ?
C46 C51 1.403(4) . ?
C47 C48 1.382(5) . ?
C47 H47 0.9500 . ?
C48 C49 1.374(5) . ?
C48 H48 0.9500 . ?
C49 C50 1.395(4) . ?
C49 H49 0.9500 . ?
C50 C51 1.407(4) . ?
C50 C52 1.513(4) . ?
C51 N4 1.441(3) . ?
C52 C54 1.518(5) . ?
C52 C53 1.532(5) . ?
C52 H52 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?

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
N1 Ge1 N2 88.76(9) . . ?
N1 Ge1 As1 117.73(6) . . ?
N2 Ge1 As1 115.42(6) . . ?
N1 Ge1 As1 114.41(6) . 3_766 ?
N2 Ge1 As1 113.50(6) . 3_766 ?
As1 Ge1 As1 106.603(14) . 3_766 ?
N1 Ge1 Ge1 137.31(6) . 3_766 ?
N2 Ge1 Ge1 133.85(7) . 3_766 ?
As1 Ge1 Ge1 53.406(12) . 3_766 ?
As1 Ge1 Ge1 53.198(12) 3_766 3_766 ?
Ge1 As1 Ge1 73.398(14) . 3_766 ?
N3 Ge2 N4 89.19(9) . . ?
N3 Ge2 As2 115.85(7) . . ?
N4 Ge2 As2 116.50(6) . . ?
N3 Ge2 As2 114.29(7) . 3_676 ?
N4 Ge2 As2 114.30(7) . 3_676 ?
As2 Ge2 As2 106.429(15) . 3_676 ?
N3 Ge2 Ge2 135.03(7) . 3_676 ?
N4 Ge2 Ge2 135.74(6) . 3_676 ?
As2 Ge2 Ge2 53.392(13) . 3_676 ?
As2 Ge2 Ge2 53.038(13) 3_676 3_676 ?
Ge2 As2 Ge2 73.570(15) . 3_676 ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C2 C3 113.5(3) . . ?
C4 C2 C1 109.9(3) . . ?
C3 C2 C1 111.1(3) . . ?
C4 C2 H2 107.4 . . ?
C3 C2 H2 107.4 . . ?
C1 C2 H2 107.4 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C9 117.7(3) . . ?
C5 C4 C2 120.6(3) . . ?
C9 C4 C2 121.6(2) . . ?
C6 C5 C4 121.4(3) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C5 C6 C7 120.0(3) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 C8 121.5(3) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C7 C8 C9 117.3(3) . . ?
C7 C8 C10 119.6(3) . . ?
C9 C8 C10 123.0(2) . . ?
C4 C9 C8 122.1(2) . . ?
C4 C9 N1 118.1(2) . . ?
C8 C9 N1 119.6(2) . . ?
C8 C10 C12 112.0(3) . . ?
C8 C10 C11 111.3(2) . . ?
C12 C10 C11 110.0(3) . . ?
C8 C10 H10 107.8 . . ?
C12 C10 H10 107.8 . . ?
C11 C10 H10 107.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C14 126.6(3) . . ?
N1 C13 H13 116.7 . . ?
C14 C13 H13 116.7 . . ?
C13 C14 C15 122.7(3) . . ?
C13 C14 H14 118.6 . . ?
C15 C14 H14 118.6 . . ?
N2 C15 C14 125.5(3) . . ?
N2 C15 H15 117.2 . . ?
C14 C15 H15 117.2 . . ?
C17 C16 C21 122.7(3) . . ?
C17 C16 N2 119.9(2) . . ?
C21 C16 N2 117.4(2) . . ?
C16 C17 C18 117.3(3) . . ?
C16 C17 C25 123.8(3) . . ?
C18 C17 C25 118.9(3) . . ?
C19 C18 C17 121.3(3) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C19 C20 120.5(3) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C19 C20 C21 120.9(3) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 H20 119.5 . . ?
C20 C21 C16 117.2(3) . . ?
C20 C21 C22 120.9(3) . . ?
C16 C21 C22 121.8(2) . . ?
C21 C22 C24 113.4(3) . . ?
C21 C22 C23 110.8(2) . . ?
C24 C22 C23 111.6(3) . . ?
C21 C22 H22 106.9 . . ?
C24 C22 H22 106.9 . . ?
C23 C22 H22 106.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C17 112.1(3) . . ?
C26 C25 C27 110.3(3) . . ?
C17 C25 C27 110.5(3) . . ?
C26 C25 H25 107.9 . . ?
C17 C25 H25 107.9 . . ?
C27 C25 H25 107.9 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C28 C29 C31 113.8(3) . . ?
C28 C29 C30 110.3(3) . . ?
C31 C29 C30 110.4(3) . . ?
C28 C29 H29 107.3 . . ?
C31 C29 H29 107.3 . . ?
C30 C29 H29 107.3 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C36 117.9(3) . . ?
C32 C31 C29 120.2(3) . . ?
C36 C31 C29 121.9(3) . . ?
C33 C32 C31 120.4(4) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C34 C33 C32 120.9(3) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C33 C34 C35 121.5(4) . . ?
C33 C34 H34 119.2 . . ?
C35 C34 H34 119.2 . . ?
C36 C35 C34 116.7(3) . . ?
C36 C35 C37 123.2(3) . . ?
C34 C35 C37 120.0(3) . . ?
C35 C36 C31 122.5(3) . . ?
C35 C36 N3 119.2(3) . . ?
C31 C36 N3 118.2(3) . . ?
C39 C37 C35 112.4(3) . . ?
C39 C37 C38 110.1(3) . . ?
C35 C37 C38 111.3(3) . . ?
C39 C37 H37 107.6 . . ?
C35 C37 H37 107.6 . . ?
C38 C37 H37 107.6 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N3 C40 C41 126.4(3) . . ?
N3 C40 H40 116.8 . . ?
C41 C40 H40 116.8 . . ?
C40 C41 C42 123.2(3) . . ?
C40 C41 H41 118.4 . . ?
C42 C41 H41 118.4 . . ?
N4 C42 C41 126.1(3) . . ?
N4 C42 H42 117.0 . . ?
C41 C42 H42 117.0 . . ?
C44 C43 H43A 109.5 . . ?
C44 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C44 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C46 C44 C43 113.5(3) . . ?
C46 C44 C45 110.6(3) . . ?
C43 C44 C45 111.0(3) . . ?
C46 C44 H44 107.1 . . ?
C43 C44 H44 107.1 . . ?
C45 C44 H44 107.1 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 C51 117.7(3) . . ?
C47 C46 C44 121.2(3) . . ?
C51 C46 C44 120.9(3) . . ?
C48 C47 C46 121.0(3) . . ?
C48 C47 H47 119.5 . . ?
C46 C47 H47 119.5 . . ?
C49 C48 C47 120.3(3) . . ?
C49 C48 H48 119.8 . . ?
C47 C48 H48 119.8 . . ?
C48 C49 C50 121.5(3) . . ?
C48 C49 H49 119.3 . . ?
C50 C49 H49 119.3 . . ?
C49 C50 C51 117.2(3) . . ?
C49 C50 C52 119.8(3) . . ?
C51 C50 C52 122.9(3) . . ?
C46 C51 C50 122.2(3) . . ?
C46 C51 N4 118.5(2) . . ?
C50 C51 N4 119.1(2) . . ?
C50 C52 C54 112.1(3) . . ?
C50 C52 C53 110.9(3) . . ?
C54 C52 C53 110.0(3) . . ?
C50 C52 H52 107.9 . . ?
C54 C52 H52 107.9 . . ?
C53 C52 H52 107.9 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C13 N1 C9 115.3(2) . . ?
C13 N1 Ge1 122.03(18) . . ?
C9 N1 Ge1 121.80(16) . . ?
C15 N2 C16 115.5(2) . . ?
C15 N2 Ge1 122.70(18) . . ?
C16 N2 Ge1 120.80(16) . . ?
C40 N3 C36 115.8(2) . . ?
C40 N3 Ge2 122.04(19) . . ?
C36 N3 Ge2 121.00(17) . . ?
C42 N4 C51 115.7(2) . . ?
C42 N4 Ge2 121.93(19) . . ?
C51 N4 Ge2 121.27(17) . . ?

_refine_diff_density_max         0.759
_refine_diff_density_min         -1.449
_refine_diff_density_rms         0.093

####################################################################### 
# 
# 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_20181107chy02_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1889602'
loop_
_audit_author_name
_audit_author_address
'Gengwen Tan'
;Nanjing University
China
;
_audit_update_record             
;
2019-01-09 deposited with the CCDC.	2020-01-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H74 Al F36 Ge2 N4 O4 P2'
_chemical_formula_weight         1953.43

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   29.5048(15)
_cell_length_b                   16.5238(7)
_cell_length_c                   19.4551(9)
_cell_angle_alpha                90
_cell_angle_beta                 118.250(2)
_cell_angle_gamma                90
_cell_volume                     8355.2(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    7112
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      24.43

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_F_000             3940
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    0.896
_shelx_estimated_absorpt_T_min   0.834
_shelx_estimated_absorpt_T_max   0.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5951
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SadAbs 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed tube (Incoatec ImS)'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30017
_diffrn_reflns_av_unetI/netI     0.0676
_diffrn_reflns_av_R_equivalents  0.0678
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.140
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.010
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7363
_reflns_number_gt                5265
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 ver. 2014.9 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. V8.37A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.37A (Bruker AXS)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+175.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7363
_refine_ls_number_parameters     787
_refine_ls_number_restraints     4552
_refine_ls_R_factor_all          0.1309
_refine_ls_R_factor_gt           0.0956
_refine_ls_wR_factor_ref         0.2098
_refine_ls_wR_factor_gt          0.1998
_refine_ls_goodness_of_fit_ref   1.203
_refine_ls_restrained_S_all      1.334
_refine_ls_shift/su_max          0.047
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1_4 O 0.5570(8) 0.4013(11) 0.7704(14) 0.102(3) Uani 0.5 1 d D U P A -1
C1_4 C 0.5830(6) 0.4629(10) 0.7625(8) 0.109(3) Uani 0.5 1 d D U P A -1
C2_4 C 0.6401(6) 0.4479(11) 0.7972(11) 0.115(3) Uani 0.5 1 d D U P A -1
F1_4 F 0.6625(7) 0.4591(12) 0.8712(10) 0.137(4) Uani 0.5 1 d D U P A -1
F2_4 F 0.6649(7) 0.5002(11) 0.7777(11) 0.133(4) Uani 0.5 1 d D U P A -1
F3_4 F 0.6543(8) 0.3861(11) 0.7734(13) 0.133(4) Uani 0.5 1 d D U P A -1
C3_4 C 0.5627(7) 0.4768(11) 0.6757(9) 0.116(3) Uani 0.5 1 d D U P A -1
F4_4 F 0.5131(6) 0.4723(11) 0.6355(10) 0.128(4) Uani 0.5 1 d D U P A -1
F5_4 F 0.5772(7) 0.4218(11) 0.6437(11) 0.130(4) Uani 0.5 1 d D U P A -1
F6_4 F 0.5799(8) 0.5408(11) 0.6588(11) 0.132(4) Uani 0.5 1 d D U P A -1
C4_4 C 0.5725(7) 0.5369(9) 0.7993(10) 0.117(3) Uani 0.5 1 d D U P A -1
F7_4 F 0.5274(6) 0.5676(9) 0.7508(10) 0.116(4) Uani 0.5 1 d D U P A -1
F8_4 F 0.6026(7) 0.5963(10) 0.8072(12) 0.124(4) Uani 0.5 1 d D U P A -1
F9_4 F 0.5701(7) 0.5179(11) 0.8630(10) 0.120(4) Uani 0.5 1 d D U P A -1
O1_3 O 0.4798(11) 0.2947(15) 0.6698(14) 0.086 Uani 0.5 1 d D U P A -1
C1_3 C 0.4772(5) 0.2278(9) 0.6315(8) 0.098(2) Uani 0.5 1 d D U P A -1
C2_3 C 0.4680(7) 0.1551(9) 0.6718(10) 0.104(3) Uani 0.5 1 d D U P A -1
F1_3 F 0.5088(6) 0.1355(9) 0.7325(9) 0.120(4) Uani 0.5 1 d D U P A -1
F2_3 F 0.4506(7) 0.0951(9) 0.6260(9) 0.111(3) Uani 0.5 1 d D U P A -1
F3_3 F 0.4345(6) 0.1705(10) 0.6955(10) 0.117(3) Uani 0.5 1 d D U P A -1
C3_3 C 0.4309(7) 0.2282(10) 0.5514(9) 0.113(3) Uani 0.5 1 d D U P A -1
F4_3 F 0.4222(8) 0.2969(10) 0.5165(10) 0.144(5) Uani 0.5 1 d D U P A -1
F5_3 F 0.3912(7) 0.2091(12) 0.5606(12) 0.137(4) Uani 0.5 1 d D U P A -1
F6_3 F 0.4283(8) 0.1720(10) 0.5042(9) 0.135(4) Uani 0.5 1 d D U P A -1
C4_3 C 0.5287(6) 0.2119(10) 0.6347(10) 0.100(3) Uani 0.5 1 d D U P A -1
F7_3 F 0.5391(7) 0.2607(10) 0.5913(9) 0.105(3) Uani 0.5 1 d D U P A -1
F8_3 F 0.5326(7) 0.1368(9) 0.6196(10) 0.110(4) Uani 0.5 1 d D U P A -1
F9_3 F 0.5643(6) 0.2228(10) 0.7057(8) 0.113(4) Uani 0.5 1 d D U P A -1
O1_2 O 0.4826(10) 0.2924(15) 0.6693(11) 0.074 Uani 0.5 1 d D U P A -2
C1_2 C 0.4626(5) 0.2697(8) 0.5960(9) 0.088(2) Uani 0.5 1 d D U P A -2
C2_2 C 0.4699(6) 0.3359(9) 0.5477(9) 0.091(3) Uani 0.5 1 d D U P A -2
F1_2 F 0.4645(6) 0.4071(8) 0.5709(8) 0.099(3) Uani 0.5 1 d D U P A -2
F2_2 F 0.4428(6) 0.3311(10) 0.4766(7) 0.104(3) Uani 0.5 1 d D U P A -2
F3_2 F 0.5153(5) 0.3370(10) 0.5566(8) 0.103(3) Uani 0.5 1 d D U P A -2
C3_2 C 0.4847(7) 0.1954(9) 0.5775(9) 0.098(3) Uani 0.5 1 d D U P A -2
F4_2 F 0.4750(7) 0.1296(9) 0.6050(9) 0.119(4) Uani 0.5 1 d D U P A -2
F5_2 F 0.5340(6) 0.1949(12) 0.6089(10) 0.124(4) Uani 0.5 1 d D U P A -2
F6_2 F 0.4704(6) 0.1883(10) 0.5032(7) 0.101(3) Uani 0.5 1 d D U P A -2
C4_2 C 0.4053(5) 0.2599(10) 0.5679(9) 0.092(3) Uani 0.5 1 d D U P A -2
F7_2 F 0.3954(5) 0.2185(9) 0.6169(8) 0.089(3) Uani 0.5 1 d D U P A -2
F8_2 F 0.3825(6) 0.2258(10) 0.5020(8) 0.104(3) Uani 0.5 1 d D U P A -2
F9_2 F 0.3819(6) 0.3288(9) 0.5554(9) 0.120(4) Uani 0.5 1 d D U P A -2
O1_1 O 0.5449(6) 0.4223(10) 0.7604(11) 0.068(3) Uani 0.5 1 d D U P A -2
C1_1 C 0.5913(6) 0.4538(7) 0.7843(7) 0.072(2) Uani 0.5 1 d D U P A -2
C2_1 C 0.6242(6) 0.3868(9) 0.7778(9) 0.083(3) Uani 0.5 1 d D U P A -2
F1_1 F 0.6718(5) 0.3927(10) 0.8252(10) 0.114(4) Uani 0.5 1 d D U P A -2
F2_1 F 0.6192(6) 0.3806(9) 0.7089(8) 0.097(3) Uani 0.5 1 d D U P A -2
F3_1 F 0.6178(6) 0.3183(8) 0.8010(9) 0.098(3) Uani 0.5 1 d D U P A -2
C3_1 C 0.5898(6) 0.5250(9) 0.7345(9) 0.084(3) Uani 0.5 1 d D U P A -2
F4_1 F 0.5717(7) 0.5907(9) 0.7488(10) 0.111(4) Uani 0.5 1 d D U P A -2
F5_1 F 0.5589(7) 0.5157(11) 0.6622(9) 0.117(4) Uani 0.5 1 d D U P A -2
F6_1 F 0.6332(5) 0.5512(9) 0.7436(9) 0.092(3) Uani 0.5 1 d D U P A -2
C4_1 C 0.6131(6) 0.4805(9) 0.8688(8) 0.082(3) Uani 0.5 1 d D U P A -2
F7_1 F 0.5907(7) 0.5420(10) 0.8763(10) 0.115(4) Uani 0.5 1 d D U P A -2
F8_1 F 0.6579(5) 0.5120(9) 0.9001(9) 0.103(4) Uani 0.5 1 d D U P A -2
F9_1 F 0.6194(6) 0.4228(9) 0.9152(8) 0.107(4) Uani 0.5 1 d D U P A -2
Ge1 Ge 0.72779(3) 0.28840(4) 0.54339(4) 0.0212(2) Uani 1 1 d . . . . .
N1 N 0.6655(2) 0.2705(3) 0.5518(3) 0.0221(13) Uani 1 1 d . . . . .
N2 N 0.7456(2) 0.3825(3) 0.6103(3) 0.0245(14) Uani 1 1 d . . . . .
P1 P 0.78584(8) 0.18517(12) 0.58162(11) 0.0276(5) Uani 1 1 d . . . . .
C1 C 0.6398(3) 0.3323(5) 0.5596(4) 0.0293(18) Uani 1 1 d . . . . .
H1 H 0.606494 0.322089 0.550779 0.035 Uiso 1 1 calc R U . . .
C2 C 0.6578(3) 0.4102(5) 0.5795(5) 0.0343(19) Uani 1 1 d . . . . .
H2 H 0.634322 0.451255 0.571974 0.041 Uiso 1 1 calc R U . . .
C3 C 0.7089(3) 0.4296(5) 0.6100(4) 0.0295(18) Uani 1 1 d . . . . .
H3 H 0.718896 0.480479 0.632721 0.035 Uiso 1 1 calc R U . . .
C4 C 0.6402(3) 0.1923(4) 0.5383(4) 0.0241(16) Uani 1 1 d . . . . .
C5 C 0.5976(3) 0.1766(5) 0.4669(4) 0.0307(18) Uani 1 1 d . . . . .
C6 C 0.5717(3) 0.1040(5) 0.4585(5) 0.041(2) Uani 1 1 d . . . . .
H6 H 0.543283 0.091556 0.411064 0.049 Uiso 1 1 calc R U . . .
C7 C 0.5876(4) 0.0503(5) 0.5195(6) 0.045(2) Uani 1 1 d . . . . .
H7 H 0.569707 0.002179 0.513138 0.054 Uiso 1 1 calc R U . . .
C8 C 0.6296(3) 0.0674(5) 0.5897(5) 0.039(2) Uani 1 1 d . . . . .
H8 H 0.639838 0.030350 0.630305 0.047 Uiso 1 1 calc R U . . .
C9 C 0.6569(3) 0.1382(5) 0.6013(5) 0.0311(18) Uani 1 1 d . . . . .
C10 C 0.7011(3) 0.1582(5) 0.6804(4) 0.036(2) Uani 1 1 d . . . . .
H10 H 0.723291 0.197389 0.672933 0.043 Uiso 1 1 calc R U . . .
C11 C 0.7337(4) 0.0840(6) 0.7214(5) 0.052(3) Uani 1 1 d . . . . .
H11A H 0.764187 0.100846 0.767085 0.079 Uiso 1 1 calc R U . . .
H11B H 0.743075 0.056461 0.686537 0.079 Uiso 1 1 calc R U . . .
H11C H 0.714169 0.048150 0.736157 0.079 Uiso 1 1 calc R U . . .
C12 C 0.6810(4) 0.1975(6) 0.7314(5) 0.055(3) Uani 1 1 d . . . . .
H12A H 0.657113 0.161664 0.736369 0.082 Uiso 1 1 calc R U . . .
H12B H 0.663911 0.247302 0.707779 0.082 Uiso 1 1 calc R U . . .
H12C H 0.709208 0.208477 0.782053 0.082 Uiso 1 1 calc R U . . .
C13 C 0.5774(3) 0.2359(5) 0.3993(4) 0.035(2) Uani 1 1 d . . . . .
H13 H 0.601311 0.281629 0.414439 0.043 Uiso 1 1 calc R U . . .
C14 C 0.5753(4) 0.1976(6) 0.3267(5) 0.046(2) Uani 1 1 d . . . . .
H14A H 0.608643 0.176631 0.338951 0.070 Uiso 1 1 calc R U . . .
H14B H 0.565420 0.237777 0.286437 0.070 Uiso 1 1 calc R U . . .
H14C H 0.550643 0.154434 0.308886 0.070 Uiso 1 1 calc R U . . .
C15 C 0.5246(4) 0.2689(6) 0.3821(5) 0.049(2) Uani 1 1 d . . . . .
H15A H 0.500530 0.224943 0.368477 0.074 Uiso 1 1 calc R U . . .
H15B H 0.512814 0.306503 0.339545 0.074 Uiso 1 1 calc R U . . .
H15C H 0.527221 0.295822 0.427605 0.074 Uiso 1 1 calc R U . . .
C16 C 0.7973(3) 0.4136(4) 0.6534(4) 0.0264(17) Uani 1 1 d . . . . .
C17 C 0.8125(3) 0.4798(5) 0.6236(4) 0.0314(18) Uani 1 1 d . . . . .
C18 C 0.8608(4) 0.5123(5) 0.6691(5) 0.041(2) Uani 1 1 d . . . . .
H18 H 0.871450 0.556123 0.650343 0.050 Uiso 1 1 calc R U . . .
C19 C 0.8936(4) 0.4809(5) 0.7422(5) 0.046(2) Uani 1 1 d . . . . .
H19 H 0.926168 0.503155 0.771830 0.055 Uiso 1 1 calc R U . . .
C20 C 0.8778(3) 0.4169(5) 0.7705(5) 0.039(2) Uani 1 1 d . . . . .
H20 H 0.899813 0.396585 0.819751 0.047 Uiso 1 1 calc R U . . .
C21 C 0.8302(3) 0.3819(5) 0.7279(4) 0.0307(18) Uani 1 1 d . . . . .
C22 C 0.8132(3) 0.3141(5) 0.7631(4) 0.037(2) Uani 1 1 d . . . . .
H22 H 0.783351 0.288022 0.720404 0.044 Uiso 1 1 calc R U . . .
C23 C 0.7955(4) 0.3494(6) 0.8196(6) 0.058(3) Uani 1 1 d . . . . .
H23A H 0.824060 0.374805 0.862639 0.087 Uiso 1 1 calc R U . . .
H23B H 0.782356 0.306619 0.838633 0.087 Uiso 1 1 calc R U . . .
H23C H 0.768882 0.388637 0.792679 0.087 Uiso 1 1 calc R U . . .
C24 C 0.8535(4) 0.2499(6) 0.8028(5) 0.056(3) Uani 1 1 d . . . . .
H24A H 0.861772 0.225304 0.765406 0.084 Uiso 1 1 calc R U . . .
H24B H 0.840517 0.209506 0.824357 0.084 Uiso 1 1 calc R U . . .
H24C H 0.883856 0.274042 0.843781 0.084 Uiso 1 1 calc R U . . .
C25 C 0.7771(3) 0.5183(5) 0.5453(5) 0.0338(19) Uani 1 1 d . . . . .
H25 H 0.745729 0.485587 0.520235 0.041 Uiso 1 1 calc R U . . .
C26 C 0.7618(4) 0.6034(5) 0.5556(6) 0.051(3) Uani 1 1 d . . . . .
H26A H 0.791590 0.637843 0.576147 0.077 Uiso 1 1 calc R U . . .
H26B H 0.747758 0.602285 0.591075 0.077 Uiso 1 1 calc R U . . .
H26C H 0.736494 0.623960 0.505998 0.077 Uiso 1 1 calc R U . . .
C27 C 0.8019(4) 0.5185(6) 0.4916(6) 0.052(3) Uani 1 1 d . . . . .
H27A H 0.777484 0.537905 0.440876 0.079 Uiso 1 1 calc R U . . .
H27B H 0.812180 0.464463 0.487081 0.079 Uiso 1 1 calc R U . . .
H27C H 0.831502 0.553197 0.513069 0.079 Uiso 1 1 calc R U . . .
Al1 Al 0.500000 0.35296(19) 0.750000 0.0260(7) Uani 1 2 d S T 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
O1_4 C1_4 1.326(16) . ?
O1_4 Al1 1.730(17) . ?
C1_4 C2_4 1.512(8) . ?
C1_4 C4_4 1.521(8) . ?
C1_4 C3_4 1.519(8) . ?
C2_4 F3_4 1.270(13) . ?
C2_4 F1_4 1.281(13) . ?
C2_4 F2_4 1.298(13) . ?
C3_4 F5_4 1.284(13) . ?
C3_4 F6_4 1.281(13) . ?
C3_4 F4_4 1.294(13) . ?
C4_4 F8_4 1.284(13) . ?
C4_4 F7_4 1.314(13) . ?
C4_4 F9_4 1.314(13) . ?
O1_3 C1_3 1.315(17) . ?
O1_3 Al1 1.684(16) . ?
C1_3 C3_3 1.510(8) . ?
C1_3 C4_3 1.513(8) . ?
C1_3 C2_3 1.528(8) . ?
C2_3 F1_3 1.267(13) . ?
C2_3 F2_3 1.268(13) . ?
C2_3 F3_3 1.299(13) . ?
C3_3 F4_3 1.285(13) . ?
C3_3 F6_3 1.283(13) . ?
C3_3 F5_3 1.304(13) . ?
C4_3 F8_3 1.293(13) . ?
C4_3 F7_3 1.305(13) . ?
C4_3 F9_3 1.292(13) . ?
O1_2 C1_2 1.313(16) . ?
O1_2 Al1 1.723(15) . ?
C1_2 C3_2 1.512(8) . ?
C1_2 C4_2 1.521(8) . ?
C1_2 C2_2 1.522(8) . ?
C2_2 F2_2 1.231(13) . ?
C2_2 F3_2 1.268(13) . ?
C2_2 F1_2 1.297(13) . ?
C3_2 F5_2 1.284(13) . ?
C3_2 F6_2 1.305(13) . ?
C3_2 F4_2 1.301(13) . ?
C4_2 F8_2 1.263(13) . ?
C4_2 F9_2 1.294(13) . ?
C4_2 F7_2 1.313(13) . ?
O1_1 C1_1 1.325(15) . ?
O1_1 Al1 1.690(13) . ?
C1_1 C3_1 1.512(8) . ?
C1_1 C2_1 1.517(8) . ?
C1_1 C4_1 1.520(8) . ?
C2_1 F1_1 1.267(13) . ?
C2_1 F3_1 1.266(13) . ?
C2_1 F2_1 1.281(13) . ?
C3_1 F6_1 1.282(12) . ?
C3_1 F5_1 1.273(13) . ?
C3_1 F4_1 1.296(13) . ?
C4_1 F7_1 1.257(13) . ?
C4_1 F8_1 1.276(13) . ?
C4_1 F9_1 1.265(12) . ?
Ge1 N1 1.942(6) . ?
Ge1 N2 1.934(6) . ?
Ge1 P1 2.278(2) . ?
Ge1 P1 2.3110(19) 7_656 ?
Ge1 Ge1 2.8762(15) 7_656 ?
N1 C1 1.323(9) . ?
N1 C4 1.454(9) . ?
N2 C3 1.331(9) . ?
N2 C16 1.443(9) . ?
C1 C2 1.376(11) . ?
C1 H1 0.9300 . ?
C2 C3 1.374(11) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 C5 1.386(11) . ?
C4 C9 1.405(10) . ?
C5 C6 1.390(11) . ?
C5 C13 1.518(11) . ?
C6 C7 1.373(12) . ?
C6 H6 0.9300 . ?
C7 C8 1.370(12) . ?
C7 H7 0.9300 . ?
C8 C9 1.377(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.509(11) . ?
C10 C11 1.528(11) . ?
C10 C12 1.521(12) . ?
C10 H10 0.9800 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.522(11) . ?
C13 C15 1.531(12) . ?
C13 H13 0.9800 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.406(11) . ?
C16 C21 1.410(11) . ?
C17 C18 1.381(11) . ?
C17 C25 1.521(11) . ?
C18 C19 1.388(12) . ?
C18 H18 0.9300 . ?
C19 C20 1.374(13) . ?
C19 H19 0.9300 . ?
C20 C21 1.374(11) . ?
C20 H20 0.9300 . ?
C21 C22 1.516(11) . ?
C22 C24 1.505(12) . ?
C22 C23 1.537(12) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C27 1.532(11) . ?
C25 C26 1.520(11) . ?
C25 H25 0.9800 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?

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
C1_4 O1_4 Al1 151.7(17) . . ?
O1_4 C1_4 C2_4 113.9(14) . . ?
O1_4 C1_4 C4_4 107.8(13) . . ?
C2_4 C1_4 C4_4 110.8(12) . . ?
O1_4 C1_4 C3_4 107.5(14) . . ?
C2_4 C1_4 C3_4 106.9(12) . . ?
C4_4 C1_4 C3_4 109.9(12) . . ?
F3_4 C2_4 F1_4 116.2(17) . . ?
F3_4 C2_4 F2_4 95.7(14) . . ?
F1_4 C2_4 F2_4 99.8(15) . . ?
F3_4 C2_4 C1_4 117.4(15) . . ?
F1_4 C2_4 C1_4 110.6(14) . . ?
F2_4 C2_4 C1_4 115.0(15) . . ?
F5_4 C3_4 F6_4 101.3(15) . . ?
F5_4 C3_4 F4_4 101.9(15) . . ?
F6_4 C3_4 F4_4 111.4(16) . . ?
F5_4 C3_4 C1_4 112.7(14) . . ?
F6_4 C3_4 C1_4 114.5(15) . . ?
F4_4 C3_4 C1_4 113.6(14) . . ?
F8_4 C4_4 F7_4 101.5(14) . . ?
F8_4 C4_4 F9_4 114.5(16) . . ?
F7_4 C4_4 F9_4 106.3(15) . . ?
F8_4 C4_4 C1_4 112.8(14) . . ?
F7_4 C4_4 C1_4 109.6(13) . . ?
F9_4 C4_4 C1_4 111.4(13) . . ?
C1_3 O1_3 Al1 155(2) . . ?
O1_3 C1_3 C3_3 111.2(14) . . ?
O1_3 C1_3 C4_3 109.6(14) . . ?
C3_3 C1_3 C4_3 116.4(12) . . ?
O1_3 C1_3 C2_3 110.3(15) . . ?
C3_3 C1_3 C2_3 103.8(11) . . ?
C4_3 C1_3 C2_3 105.2(11) . . ?
F1_3 C2_3 F2_3 110.2(15) . . ?
F1_3 C2_3 F3_3 105.5(15) . . ?
F2_3 C2_3 F3_3 106.2(14) . . ?
F1_3 C2_3 C1_3 110.9(13) . . ?
F2_3 C2_3 C1_3 111.5(14) . . ?
F3_3 C2_3 C1_3 112.3(14) . . ?
F4_3 C3_3 F6_3 109.4(15) . . ?
F4_3 C3_3 F5_3 108.5(16) . . ?
F6_3 C3_3 F5_3 99.8(16) . . ?
F4_3 C3_3 C1_3 114.0(14) . . ?
F6_3 C3_3 C1_3 117.0(15) . . ?
F5_3 C3_3 C1_3 106.9(14) . . ?
F8_3 C4_3 F7_3 111.9(15) . . ?
F8_3 C4_3 F9_3 105.2(14) . . ?
F7_3 C4_3 F9_3 106.5(14) . . ?
F8_3 C4_3 C1_3 110.6(14) . . ?
F7_3 C4_3 C1_3 113.9(13) . . ?
F9_3 C4_3 C1_3 108.1(13) . . ?
C1_2 O1_2 Al1 160(2) . . ?
O1_2 C1_2 C3_2 117.9(15) . . ?
O1_2 C1_2 C4_2 105.8(13) . . ?
C3_2 C1_2 C4_2 111.0(12) . . ?
O1_2 C1_2 C2_2 110.1(14) . . ?
C3_2 C1_2 C2_2 103.6(11) . . ?
C4_2 C1_2 C2_2 108.2(11) . . ?
F2_2 C2_2 F3_2 103.6(14) . . ?
F2_2 C2_2 F1_2 109.1(14) . . ?
F3_2 C2_2 F1_2 103.7(14) . . ?
F2_2 C2_2 C1_2 116.2(14) . . ?
F3_2 C2_2 C1_2 112.0(13) . . ?
F1_2 C2_2 C1_2 111.1(12) . . ?
F5_2 C3_2 F6_2 103.1(14) . . ?
F5_2 C3_2 F4_2 102.7(15) . . ?
F6_2 C3_2 F4_2 111.2(15) . . ?
F5_2 C3_2 C1_2 114.2(14) . . ?
F6_2 C3_2 C1_2 112.7(13) . . ?
F4_2 C3_2 C1_2 112.2(13) . . ?
F8_2 C4_2 F9_2 102.9(14) . . ?
F8_2 C4_2 F7_2 108.1(13) . . ?
F9_2 C4_2 F7_2 108.2(14) . . ?
F8_2 C4_2 C1_2 112.3(13) . . ?
F9_2 C4_2 C1_2 112.2(13) . . ?
F7_2 C4_2 C1_2 112.6(12) . . ?
C1_1 O1_1 Al1 158.3(14) . . ?
O1_1 C1_1 C3_1 111.7(12) . . ?
O1_1 C1_1 C2_1 106.2(11) . . ?
C3_1 C1_1 C2_1 109.9(11) . . ?
O1_1 C1_1 C4_1 109.4(12) . . ?
C3_1 C1_1 C4_1 109.7(11) . . ?
C2_1 C1_1 C4_1 110.0(11) . . ?
F1_1 C2_1 F3_1 96.4(13) . . ?
F1_1 C2_1 F2_1 107.9(14) . . ?
F3_1 C2_1 F2_1 109.7(14) . . ?
F1_1 C2_1 C1_1 114.5(13) . . ?
F3_1 C2_1 C1_1 114.5(12) . . ?
F2_1 C2_1 C1_1 112.6(12) . . ?
F6_1 C3_1 F5_1 109.9(14) . . ?
F6_1 C3_1 F4_1 100.1(13) . . ?
F5_1 C3_1 F4_1 100.7(15) . . ?
F6_1 C3_1 C1_1 116.7(13) . . ?
F5_1 C3_1 C1_1 113.7(13) . . ?
F4_1 C3_1 C1_1 113.8(13) . . ?
F7_1 C4_1 F8_1 95.6(14) . . ?
F7_1 C4_1 F9_1 115.8(16) . . ?
F8_1 C4_1 F9_1 101.4(13) . . ?
F7_1 C4_1 C1_1 112.5(13) . . ?
F8_1 C4_1 C1_1 116.5(14) . . ?
F9_1 C4_1 C1_1 113.4(12) . . ?
N1 Ge1 N2 91.9(2) . . ?
N1 Ge1 P1 116.95(18) . . ?
N2 Ge1 P1 117.34(19) . . ?
N1 Ge1 P1 114.63(17) . 7_656 ?
N2 Ge1 P1 114.36(18) . 7_656 ?
P1 Ge1 P1 102.39(6) . 7_656 ?
N1 Ge1 Ge1 133.95(17) . 7_656 ?
N2 Ge1 Ge1 134.05(19) . 7_656 ?
P1 Ge1 Ge1 51.71(5) . 7_656 ?
P1 Ge1 Ge1 50.68(5) 7_656 7_656 ?
C1 N1 C4 115.6(6) . . ?
C1 N1 Ge1 120.6(5) . . ?
C4 N1 Ge1 123.2(4) . . ?
C3 N2 C16 115.3(6) . . ?
C3 N2 Ge1 120.4(5) . . ?
C16 N2 Ge1 123.6(5) . . ?
Ge1 P1 Ge1 77.61(6) . 7_656 ?
N1 C1 C2 126.1(8) . . ?
N1 C1 H1 117.0 . . ?
C2 C1 H1 117.0 . . ?
C1 C2 C3 122.6(7) . . ?
C1 C2 H2 118.7 . . ?
C3 C2 H2 118.7 . . ?
N2 C3 C2 126.2(7) . . ?
N2 C3 H3 116.9 . . ?
C2 C3 H3 116.9 . . ?
C5 C4 C9 122.2(7) . . ?
C5 C4 N1 119.5(6) . . ?
C9 C4 N1 118.0(7) . . ?
C4 C5 C6 117.8(7) . . ?
C4 C5 C13 123.1(7) . . ?
C6 C5 C13 119.1(7) . . ?
C7 C6 C5 120.8(8) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C6 C7 C8 120.4(8) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C7 C8 C9 121.5(8) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C4 C9 C8 117.4(8) . . ?
C4 C9 C10 121.9(7) . . ?
C8 C9 C10 120.7(7) . . ?
C9 C10 C11 112.5(7) . . ?
C9 C10 C12 110.0(7) . . ?
C11 C10 C12 110.3(7) . . ?
C9 C10 H10 108.0 . . ?
C11 C10 H10 108.0 . . ?
C12 C10 H10 108.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C15 110.9(7) . . ?
C14 C13 C5 111.3(7) . . ?
C15 C13 C5 111.2(7) . . ?
C14 C13 H13 107.8 . . ?
C15 C13 H13 107.8 . . ?
C5 C13 H13 107.8 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 120.9(7) . . ?
C17 C16 N2 119.5(7) . . ?
C21 C16 N2 119.3(7) . . ?
C18 C17 C16 118.2(8) . . ?
C18 C17 C25 119.3(7) . . ?
C16 C17 C25 122.5(7) . . ?
C19 C18 C17 121.3(8) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C20 C19 C18 119.5(8) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C21 C20 C19 121.9(8) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C20 C21 C16 118.2(8) . . ?
C20 C21 C22 120.0(7) . . ?
C16 C21 C22 121.7(7) . . ?
C24 C22 C23 110.7(7) . . ?
C24 C22 C21 113.7(8) . . ?
C23 C22 C21 109.9(7) . . ?
C24 C22 H22 107.4 . . ?
C23 C22 H22 107.4 . . ?
C21 C22 H22 107.4 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C17 C25 C27 111.2(7) . . ?
C17 C25 C26 111.2(7) . . ?
C27 C25 C26 110.8(7) . . ?
C17 C25 H25 107.8 . . ?
C27 C25 H25 107.8 . . ?
C26 C25 H25 107.8 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O1_1 Al1 O1_2 112.4(10) . . ?
O1_3 Al1 O1_4 110.9(13) . . ?

_refine_diff_density_max         1.772
_refine_diff_density_min         -0.958
_refine_diff_density_rms         0.145

####################################################################### 
# 
# 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_amcm_a
_database_code_depnum_ccdc_archive 'CCDC 1889603'
loop_
_audit_author_name
_audit_author_address
'Gengwen Tan'
;Nanjing University
China
;
_audit_update_record             
;
2019-01-09 deposited with the CCDC.	2020-01-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C76 H79 Al As2 F37 Ge2 N4 O4'
_chemical_formula_weight         2137.43

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 '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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           36
_space_group_name_H-M_alt        'C m c 21'
_space_group_name_Hall           'C 2c -2'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   19.7185(18)
_cell_length_b                   19.794(2)
_cell_length_c                   22.651(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8841.0(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9937
_cell_measurement_theta_min      2.73
_cell_measurement_theta_max      27.59

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_F_000             4284
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.559
_shelx_estimated_absorpt_T_min   0.746
_shelx_estimated_absorpt_T_max   0.746
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5951
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SadAbs 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed tube (Incoatec ImS)'
_diffrn_measurement_device_type  'BRUKER D8 VENTURE PHOTON 100'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36378
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_av_R_equivalents  0.0553
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.246
_diffrn_reflns_theta_max         27.599
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_point_group_measured_fraction_full 0.942
_reflns_number_total             9931
_reflns_number_gt                8935
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.843
_reflns_Friedel_fraction_max     0.882
_reflns_Friedel_fraction_full    0.885

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'APEX2 ver. 2014.9 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. V8.37A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.37A (Bruker AXS)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0971P)²+18.6622P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.062(17)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         9931
_refine_ls_number_parameters     872
_refine_ls_number_restraints     4261
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0510
_refine_ls_wR_factor_ref         0.1460
_refine_ls_wR_factor_gt          0.1394
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.247
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
F1_6 F 0.3966(16) 0.5422(18) 0.631(2) 0.257(18) Uani 0.5 1 d D U P A -1
C2_6 C 0.4471(17) 0.5154(14) 0.6370(12) 0.106(10) Uani 0.5 1 d D U P A -1
C3_6 C 0.5107(16) 0.5417(12) 0.6373(10) 0.100(8) Uani 0.5 1 d D U P A -1
H3_6 H 0.518757 0.587493 0.631582 0.120 Uiso 0.5 1 calc R U P A -1
C4_6 C 0.5630(15) 0.4957(12) 0.6468(12) 0.074(6) Uani 0.5 1 d D U P A -1
H4_6 H 0.607161 0.511883 0.650115 0.089 Uiso 0.5 1 calc R U P A -1
C5_6 C 0.5519(14) 0.4276(13) 0.6513(17) 0.082(8) Uani 0.5 1 d D U P A -1
H5_6 H 0.588220 0.397587 0.652284 0.099 Uiso 0.5 1 calc R U P A -1
C6_6 C 0.4877(13) 0.4048(12) 0.6544(10) 0.078(8) Uani 0.5 1 d D U P A -1
H6_6 H 0.479591 0.359105 0.661015 0.093 Uiso 0.5 1 calc R U P A -1
C7_6 C 0.4347(17) 0.4480(14) 0.648(2) 0.106(10) Uani 0.5 1 d D U P A -1
H7_6 H 0.390387 0.432187 0.650778 0.127 Uiso 0.5 1 calc R U P A -1
O1_5 O 0.0592(6) 0.6100(10) 0.6340(9) 0.053(3) Uani 0.377(8) 1 d D U P B 2
C1_5 C 0.1229(8) 0.6301(9) 0.6409(8) 0.051(3) Uani 0.377(8) 1 d D U P B 2
C2_5 C 0.1436(9) 0.6649(9) 0.5812(9) 0.067(3) Uani 0.377(8) 1 d D U P B 2
F1_5 F 0.1617(7) 0.6148(8) 0.5441(7) 0.062(3) Uani 0.377(8) 1 d D U P B 2
F2_5 F 0.1925(9) 0.7103(10) 0.5900(9) 0.085(4) Uani 0.377(8) 1 d D U P B 2
F3_5 F 0.0815(8) 0.6911(9) 0.5657(10) 0.061(4) Uani 0.377(8) 1 d D U P B 2
C3_5 C 0.1278(8) 0.6832(10) 0.6915(8) 0.068(3) Uani 0.377(8) 1 d D U P B 2
F4_5 F 0.0968(7) 0.6531(9) 0.7400(7) 0.065(3) Uani 0.377(8) 1 d D U P B 2
F5_5 F 0.0960(8) 0.7407(8) 0.6720(9) 0.073(4) Uani 0.377(8) 1 d D U P B 2
F6_5 F 0.1926(7) 0.6884(10) 0.7099(7) 0.072(4) Uani 0.377(8) 1 d D U P B 2
C4_5 C 0.1779(9) 0.5748(10) 0.6520(9) 0.069(3) Uani 0.377(8) 1 d D U P B 2
F7_5 F 0.1756(11) 0.5617(12) 0.7103(8) 0.094(4) Uani 0.377(8) 1 d D U P B 2
F8_5 F 0.2389(6) 0.5983(10) 0.6310(10) 0.079(4) Uani 0.377(8) 1 d D U P B 2
F9_5 F 0.1626(8) 0.5231(8) 0.6161(8) 0.066(4) Uani 0.377(8) 1 d D U P B 2
O1_4 O 0.0759(6) 0.5849(6) 0.6266(6) 0.061(2) Uani 0.623(8) 1 d D U P B 1
C1_4 C 0.1217(6) 0.6299(6) 0.6430(5) 0.035(2) Uani 0.623(8) 1 d D U P B 1
C2_4 C 0.1176(6) 0.6285(6) 0.7122(5) 0.050(2) Uani 0.623(8) 1 d D U P B 1
F1_4 F 0.0507(5) 0.6314(6) 0.7282(5) 0.072(3) Uani 0.623(8) 1 d D U P B 1
F2_4 F 0.1456(6) 0.6820(5) 0.7380(4) 0.066(2) Uani 0.623(8) 1 d D U P B 1
F3_4 F 0.1428(7) 0.5737(5) 0.7339(5) 0.075(3) Uani 0.623(8) 1 d D U P B 1
C3_4 C 0.1934(7) 0.6042(7) 0.6264(6) 0.056(2) Uani 0.623(8) 1 d D U P B 1
F4_4 F 0.2069(5) 0.6207(5) 0.5712(4) 0.071(3) Uani 0.623(8) 1 d D U P B 1
F5_4 F 0.1987(7) 0.5372(5) 0.6323(7) 0.084(3) Uani 0.623(8) 1 d D U P B 1
F6_4 F 0.2410(5) 0.6309(7) 0.6641(5) 0.085(3) Uani 0.623(8) 1 d D U P B 1
C4_4 C 0.1122(7) 0.7034(6) 0.6224(5) 0.055(2) Uani 0.623(8) 1 d D U P B 1
F7_4 F 0.1048(8) 0.7104(7) 0.5656(5) 0.092(4) Uani 0.623(8) 1 d D U P B 1
F8_4 F 0.1685(6) 0.7395(6) 0.6284(5) 0.087(3) Uani 0.623(8) 1 d D U P B 1
F9_4 F 0.0586(6) 0.7305(6) 0.6504(5) 0.078(3) Uani 0.623(8) 1 d D U P B 1
O1_3 O -0.0123(11) 0.4754(6) 0.6298(6) 0.079(3) Uani 0.5 1 d D U P B -1
C1_3 C 0.0010(10) 0.4227(6) 0.6622(6) 0.071(3) Uani 0.5 1 d D U P B -1
C2_3 C -0.0214(9) 0.4359(8) 0.7269(7) 0.079(3) Uani 0.5 1 d D U P B -1
F1_3 F 0.0096(14) 0.4936(5) 0.7445(5) 0.084(4) Uani 0.5 1 d D U P B -1
F2_3 F 0.0121(12) 0.3893(6) 0.7622(5) 0.088(4) Uani 0.5 1 d D U P B -1
F3_3 F -0.0873(9) 0.4279(9) 0.7310(9) 0.101(4) Uani 0.5 1 d D U P B -1
C3_3 C -0.0402(10) 0.3621(9) 0.6372(8) 0.086(3) Uani 0.5 1 d D U P B -1
F4_3 F -0.0122(11) 0.3396(7) 0.5869(5) 0.099(4) Uani 0.5 1 d D U P B -1
F5_3 F -0.1037(8) 0.3778(9) 0.6233(8) 0.100(4) Uani 0.5 1 d D U P B -1
F6_3 F -0.0430(10) 0.3097(7) 0.6748(7) 0.098(4) Uani 0.5 1 d D U P B -1
C4_3 C 0.0783(10) 0.4044(8) 0.6629(8) 0.082(3) Uani 0.5 1 d D U P B -1
F7_3 F 0.1030(10) 0.4161(8) 0.6079(7) 0.093(4) Uani 0.5 1 d D U P B -1
F8_3 F 0.0878(11) 0.3403(7) 0.6771(9) 0.101(4) Uani 0.5 1 d D U P B -1
F9_3 F 0.1083(10) 0.4476(8) 0.7016(7) 0.095(4) Uani 0.5 1 d D U P B -1
O1_2 O 0.0141(4) 0.5546(6) 0.5304(4) 0.040(2) Uani 0.5 1 d D U P B -1
C1_2 C 0.0004(9) 0.5387(4) 0.4747(4) 0.0259(14) Uani 0.5 1 d D U P B -1
C2_2 C 0.0589(7) 0.4936(7) 0.4515(6) 0.047(2) Uani 0.5 1 d D U P B -1
F1_2 F 0.1160(4) 0.5298(5) 0.4442(6) 0.054(2) Uani 0.5 1 d D U P B -1
F2_2 F 0.0458(7) 0.4681(7) 0.3992(6) 0.084(3) Uani 0.5 1 d D U P B -1
F3_2 F 0.0731(8) 0.4495(6) 0.4991(6) 0.065(3) Uani 0.5 1 d D U P B -1
C3_2 C -0.0679(7) 0.5022(7) 0.4674(7) 0.048(2) Uani 0.5 1 d D U P B -1
F4_2 F -0.1167(4) 0.5311(5) 0.4968(5) 0.051(2) Uani 0.5 1 d D U P B -1
F5_2 F -0.0618(8) 0.4353(6) 0.4720(9) 0.079(3) Uani 0.5 1 d D U P B -1
F6_2 F -0.0893(6) 0.5007(9) 0.4115(5) 0.080(3) Uani 0.5 1 d D U P B -1
C4_2 C 0.0044(10) 0.6061(5) 0.4400(5) 0.040(2) Uani 0.5 1 d D U P B -1
F7_2 F -0.0534(7) 0.6390(8) 0.4400(6) 0.054(3) Uani 0.5 1 d D U P B -1
F8_2 F 0.0143(7) 0.5945(7) 0.3828(5) 0.080(4) Uani 0.5 1 d D U P B -1
F9_2 F 0.0509(7) 0.6454(7) 0.4662(7) 0.056(3) Uani 0.5 1 d D U P B -1
As1 As 0.500000 0.53701(4) 0.47136(4) 0.0255(2) Uani 1 2 d S T P . .
As2 As 0.500000 0.48789(5) 0.31051(4) 0.0282(2) Uani 1 2 d S T P . .
Ge1 Ge 0.500000 0.43983(4) 0.40738(4) 0.01967(19) Uani 1 2 d S T P . .
Ge2 Ge 0.500000 0.58509(4) 0.37493(4) 0.02151(19) Uani 1 2 d S T P . .
N1 N 0.4291(2) 0.3747(2) 0.4254(2) 0.0207(10) Uani 1 1 d . . . . .
N2 N 0.5712(3) 0.6494(3) 0.3575(3) 0.0268(11) Uani 1 1 d . . . . .
Al1 Al 0.000000 0.55545(12) 0.60419(11) 0.0205(5) Uani 1 2 d S T P . .
C1 C 0.500000 0.3087(5) 0.4904(5) 0.033(2) Uani 1 2 d S T P . .
H1 H 0.500000 0.282151 0.524296 0.039 Uiso 1 2 calc R U P . .
C2 C 0.4389(3) 0.3282(3) 0.4656(3) 0.0309(14) Uani 1 1 d . . . . .
H2 H 0.400411 0.305673 0.479017 0.037 Uiso 1 1 calc R U . . .
C3 C 0.5615(3) 0.6977(4) 0.3171(3) 0.0318(14) Uani 1 1 d . . . . .
H3 H 0.599855 0.720333 0.303701 0.038 Uiso 1 1 calc R U . . .
C4 C 0.500000 0.7174(6) 0.2933(5) 0.040(2) Uani 1 2 d S T P . .
H4 H 0.500000 0.744921 0.260020 0.048 Uiso 1 2 calc R U P . .
C5 C 0.3603(3) 0.3808(3) 0.4024(3) 0.0256(12) Uani 1 1 d . . . . .
C6 C 0.3098(3) 0.4084(3) 0.4392(3) 0.0268(13) Uani 1 1 d . . . . .
C7 C 0.2434(3) 0.4081(4) 0.4174(4) 0.0376(16) Uani 1 1 d . . . . .
H7 H 0.208759 0.426549 0.440145 0.045 Uiso 1 1 calc R U . . .
C8 C 0.2285(3) 0.3813(5) 0.3632(4) 0.048(2) Uani 1 1 d . . . . .
H8 H 0.183966 0.381936 0.349682 0.058 Uiso 1 1 calc R U . . .
C9 C 0.2787(4) 0.3531(4) 0.3283(4) 0.0404(16) Uani 1 1 d . . . . .
H9 H 0.267420 0.334078 0.292082 0.048 Uiso 1 1 calc R U . . .
C10 C 0.3462(3) 0.3529(3) 0.3470(3) 0.0290(13) Uani 1 1 d . . . . .
C11 C 0.3228(3) 0.4355(4) 0.5002(3) 0.0296(13) Uani 1 1 d . . . . .
H11 H 0.371533 0.431997 0.508128 0.035 Uiso 1 1 calc R U . . .
C12 C 0.3030(4) 0.5099(4) 0.5037(4) 0.0468(19) Uani 1 1 d . . . . .
H12A H 0.320775 0.533503 0.470084 0.070 Uiso 1 1 calc R U . . .
H12B H 0.321239 0.529285 0.539193 0.070 Uiso 1 1 calc R U . . .
H12C H 0.254456 0.513820 0.504158 0.070 Uiso 1 1 calc R U . . .
C13 C 0.2854(5) 0.3946(5) 0.5466(4) 0.050(2) Uani 1 1 d . . . . .
H13A H 0.237438 0.397022 0.539435 0.075 Uiso 1 1 calc R U . . .
H13B H 0.295134 0.412494 0.585091 0.075 Uiso 1 1 calc R U . . .
H13C H 0.299827 0.348311 0.544750 0.075 Uiso 1 1 calc R U . . .
C14 C 0.4004(3) 0.3177(4) 0.3104(4) 0.0343(14) Uani 1 1 d . . . . .
H14 H 0.444523 0.335598 0.322692 0.041 Uiso 1 1 calc R U . . .
C15 C 0.3928(5) 0.3314(5) 0.2444(4) 0.055(2) Uani 1 1 d . . . . .
H15A H 0.433434 0.317907 0.224312 0.082 Uiso 1 1 calc R U . . .
H15B H 0.385041 0.378701 0.238199 0.082 Uiso 1 1 calc R U . . .
H15C H 0.355036 0.306067 0.229318 0.082 Uiso 1 1 calc R U . . .
C16 C 0.3999(6) 0.2424(4) 0.3242(5) 0.056(2) Uani 1 1 d . . . . .
H16A H 0.356245 0.223921 0.314627 0.084 Uiso 1 1 calc R U . . .
H16B H 0.408875 0.235787 0.365454 0.084 Uiso 1 1 calc R U . . .
H16C H 0.434163 0.220153 0.301277 0.084 Uiso 1 1 calc R U . . .
C17 C 0.6391(3) 0.6452(3) 0.3805(3) 0.0280(13) Uani 1 1 d . . . . .
C18 C 0.6528(3) 0.6738(3) 0.4355(4) 0.0333(15) Uani 1 1 d . . . . .
C19 C 0.7201(4) 0.6751(4) 0.4548(4) 0.0454(19) Uani 1 1 d . . . . .
H19 H 0.730456 0.694917 0.490953 0.055 Uiso 1 1 calc R U . . .
C20 C 0.7716(4) 0.6474(5) 0.4211(4) 0.049(2) Uani 1 1 d . . . . .
H20 H 0.816129 0.648212 0.434550 0.058 Uiso 1 1 calc R U . . .
C21 C 0.7563(3) 0.6187(4) 0.3678(5) 0.048(2) Uani 1 1 d . . . . .
H21 H 0.791188 0.599568 0.345754 0.058 Uiso 1 1 calc R U . . .
C22 C 0.6904(3) 0.6169(4) 0.3450(4) 0.0352(16) Uani 1 1 d . . . . .
C23 C 0.5987(3) 0.7074(3) 0.4727(4) 0.0345(15) Uani 1 1 d . . . . .
H23 H 0.554843 0.688947 0.460260 0.041 Uiso 1 1 calc R U . . .
C24 C 0.6056(5) 0.6947(5) 0.5387(4) 0.054(2) Uani 1 1 d . . . . .
H24A H 0.613638 0.647552 0.545568 0.080 Uiso 1 1 calc R U . . .
H24B H 0.564531 0.708107 0.558306 0.080 Uiso 1 1 calc R U . . .
H24C H 0.642884 0.720570 0.553954 0.080 Uiso 1 1 calc R U . . .
C25 C 0.5971(5) 0.7836(5) 0.4608(6) 0.062(3) Uani 1 1 d . . . . .
H25A H 0.587175 0.791495 0.419924 0.094 Uiso 1 1 calc R U . . .
H25B H 0.640452 0.802845 0.470328 0.094 Uiso 1 1 calc R U . . .
H25C H 0.562728 0.804191 0.484839 0.094 Uiso 1 1 calc R U . . .
C26 C 0.6785(4) 0.5896(4) 0.2840(4) 0.0431(18) Uani 1 1 d . . . . .
H26 H 0.629665 0.590886 0.276287 0.052 Uiso 1 1 calc R U . . .
C27 C 0.7143(5) 0.6348(6) 0.2371(5) 0.060(2) Uani 1 1 d . . . . .
H27A H 0.698640 0.622597 0.198371 0.090 Uiso 1 1 calc R U . . .
H27B H 0.762444 0.628310 0.239358 0.090 Uiso 1 1 calc R U . . .
H27C H 0.703738 0.681389 0.244530 0.090 Uiso 1 1 calc R U . . .
C28 C 0.7021(6) 0.5165(5) 0.2781(6) 0.064(3) Uani 1 1 d . . . . .
H28A H 0.699243 0.502799 0.237502 0.096 Uiso 1 1 calc R U . . .
H28B H 0.673740 0.487830 0.301736 0.096 Uiso 1 1 calc R U . . .
H28C H 0.748241 0.512769 0.291304 0.096 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F1_6 C2_6 1.14(4) . ?
C2_6 C3_6 1.36(2) . ?
C2_6 C7_6 1.38(2) . ?
C3_6 C4_6 1.392(19) . ?
C3_6 H3_6 0.9300 . ?
C4_6 C5_6 1.370(19) . ?
C4_6 H4_6 0.9300 . ?
C5_6 C6_6 1.347(19) . ?
C5_6 H5_6 0.9300 . ?
C6_6 C7_6 1.36(2) . ?
C6_6 H6_6 0.9300 . ?
C7_6 H7_6 0.9300 . ?
O1_5 C1_5 1.327(16) . ?
O1_5 Al1 1.727(14) . ?
C1_5 C3_5 1.558(17) . ?
C1_5 C4_5 1.561(17) . ?
C1_5 C2_5 1.571(18) . ?
C2_5 F2_5 1.333(16) . ?
C2_5 F1_5 1.347(16) . ?
C2_5 F3_5 1.376(17) . ?
C3_5 F6_5 1.349(16) . ?
C3_5 F5_5 1.372(17) . ?
C3_5 F4_5 1.391(17) . ?
C4_5 F9_5 1.343(17) . ?
C4_5 F7_5 1.347(17) . ?
C4_5 F8_5 1.376(17) . ?
O1_4 C1_4 1.321(14) . ?
O1_4 Al1 1.685(11) . ?
C1_4 C4_4 1.540(14) . ?
C1_4 C3_4 1.549(14) . ?
C1_4 C2_4 1.570(14) . ?
C2_4 F3_4 1.290(13) . ?
C2_4 F2_4 1.328(13) . ?
C2_4 F1_4 1.368(14) . ?
C3_4 F4_4 1.319(14) . ?
C3_4 F5_4 1.338(14) . ?
C3_4 F6_4 1.374(14) . ?
C4_4 F7_4 1.302(14) . ?
C4_4 F8_4 1.326(14) . ?
C4_4 F9_4 1.347(13) . ?
O1_3 C1_3 1.301(15) . ?
O1_3 Al1 1.706(12) . ?
C1_3 C2_3 1.554(16) . ?
C1_3 C3_3 1.555(16) . ?
C1_3 C4_3 1.566(18) . ?
C2_3 F3_3 1.311(16) . ?
C2_3 F1_3 1.355(16) . ?
C2_3 F2_3 1.387(16) . ?
C3_3 F5_3 1.328(17) . ?
C3_3 F4_3 1.343(17) . ?
C3_3 F6_3 1.344(17) . ?
C4_3 F8_3 1.323(16) . ?
C4_3 F7_3 1.357(17) . ?
C4_3 F9_3 1.362(17) . ?
O1_2 C1_2 1.327(12) . ?
O1_2 Al1 1.695(10) . ?
C1_2 C3_2 1.537(16) . ?
C1_2 C2_2 1.551(14) . ?
C1_2 C4_2 1.551(12) . ?
C2_2 F2_2 1.314(15) . ?
C2_2 F1_2 1.343(15) . ?
C2_2 F3_2 1.416(15) . ?
C3_2 F4_2 1.304(14) . ?
C3_2 F5_2 1.334(15) . ?
C3_2 F6_2 1.335(16) . ?
C4_2 F7_2 1.314(16) . ?
C4_2 F8_2 1.329(13) . ?
C4_2 F9_2 1.341(15) . ?
As1 Ge2 2.3824(12) . ?
As1 Ge1 2.4084(12) . ?
As2 Ge1 2.3915(13) . ?
As2 Ge2 2.4148(13) . ?
Ge1 N1 1.944(5) 4_655 ?
Ge1 N1 1.944(5) . ?
Ge2 N2 1.936(5) . ?
Ge2 N2 1.936(5) 4_655 ?
N1 C2 1.310(9) . ?
N1 C5 1.459(7) . ?
N2 C3 1.338(9) . ?
N2 C17 1.439(8) . ?
C1 C2 1.385(8) . ?
C1 C2 1.385(8) 4_655 ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 C4 1.383(8) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C5 C10 1.398(10) . ?
C5 C6 1.409(9) . ?
C6 C7 1.399(9) . ?
C6 C11 1.504(10) . ?
C7 C8 1.370(12) . ?
C7 H7 0.9300 . ?
C8 C9 1.385(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.396(9) . ?
C9 H9 0.9300 . ?
C10 C14 1.523(9) . ?
C11 C13 1.521(10) . ?
C11 C12 1.526(11) . ?
C11 H11 0.9800 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C16 1.522(12) . ?
C14 C15 1.525(13) . ?
C14 H14 0.9800 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.394(11) . ?
C17 C22 1.408(10) . ?
C18 C19 1.397(9) . ?
C18 C23 1.514(10) . ?
C19 C20 1.384(13) . ?
C19 H19 0.9300 . ?
C20 C21 1.368(15) . ?
C20 H20 0.9300 . ?
C21 C22 1.398(11) . ?
C21 H21 0.9300 . ?
C22 C26 1.502(13) . ?
C23 C24 1.523(13) . ?
C23 C25 1.532(12) . ?
C23 H23 0.9800 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C28 1.527(12) . ?
C26 C27 1.558(12) . ?
C26 H26 0.9800 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?

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
F1_6 C2_6 C3_6 129(3) . . ?
F1_6 C2_6 C7_6 108(2) . . ?
C3_6 C2_6 C7_6 122(2) . . ?
C2_6 C3_6 C4_6 115.8(18) . . ?
C2_6 C3_6 H3_6 122.1 . . ?
C4_6 C3_6 H3_6 122.1 . . ?
C5_6 C4_6 C3_6 122(2) . . ?
C5_6 C4_6 H4_6 118.8 . . ?
C3_6 C4_6 H4_6 118.8 . . ?
C6_6 C5_6 C4_6 119(2) . . ?
C6_6 C5_6 H5_6 120.5 . . ?
C4_6 C5_6 H5_6 120.5 . . ?
C5_6 C6_6 C7_6 120.5(19) . . ?
C5_6 C6_6 H6_6 119.8 . . ?
C7_6 C6_6 H6_6 119.8 . . ?
C6_6 C7_6 C2_6 119(2) . . ?
C6_6 C7_6 H7_6 120.3 . . ?
C2_6 C7_6 H7_6 120.3 . . ?
C1_5 O1_5 Al1 150.9(13) . . ?
O1_5 C1_5 C3_5 110.4(14) . . ?
O1_5 C1_5 C4_5 117.8(15) . . ?
C3_5 C1_5 C4_5 108.2(13) . . ?
O1_5 C1_5 C2_5 106.0(15) . . ?
C3_5 C1_5 C2_5 108.7(13) . . ?
C4_5 C1_5 C2_5 105.4(13) . . ?
F2_5 C2_5 F1_5 113.4(16) . . ?
F2_5 C2_5 F3_5 115.4(17) . . ?
F1_5 C2_5 F3_5 110.7(16) . . ?
F2_5 C2_5 C1_5 110.7(15) . . ?
F1_5 C2_5 C1_5 106.4(15) . . ?
F3_5 C2_5 C1_5 98.8(14) . . ?
F6_5 C3_5 F5_5 118.0(17) . . ?
F6_5 C3_5 F4_5 101.8(15) . . ?
F5_5 C3_5 F4_5 114.2(16) . . ?
F6_5 C3_5 C1_5 109.7(14) . . ?
F5_5 C3_5 C1_5 107.2(14) . . ?
F4_5 C3_5 C1_5 105.4(14) . . ?
F9_5 C4_5 F7_5 116(2) . . ?
F9_5 C4_5 F8_5 104.1(15) . . ?
F7_5 C4_5 F8_5 115.7(18) . . ?
F9_5 C4_5 C1_5 106.3(14) . . ?
F7_5 C4_5 C1_5 105.7(15) . . ?
F8_5 C4_5 C1_5 108.4(15) . . ?
C1_4 O1_4 Al1 157.7(11) . . ?
O1_4 C1_4 C4_4 117.9(11) . . ?
O1_4 C1_4 C3_4 109.5(11) . . ?
C4_4 C1_4 C3_4 110.3(10) . . ?
O1_4 C1_4 C2_4 103.6(10) . . ?
C4_4 C1_4 C2_4 108.3(9) . . ?
C3_4 C1_4 C2_4 106.5(9) . . ?
F3_4 C2_4 F2_4 110.1(11) . . ?
F3_4 C2_4 F1_4 107.8(12) . . ?
F2_4 C2_4 F1_4 104.5(11) . . ?
F3_4 C2_4 C1_4 112.0(10) . . ?
F2_4 C2_4 C1_4 113.8(10) . . ?
F1_4 C2_4 C1_4 108.2(10) . . ?
F4_4 C3_4 F5_4 108.9(11) . . ?
F4_4 C3_4 F6_4 110.9(12) . . ?
F5_4 C3_4 F6_4 105.5(13) . . ?
F4_4 C3_4 C1_4 109.5(10) . . ?
F5_4 C3_4 C1_4 111.8(11) . . ?
F6_4 C3_4 C1_4 110.3(10) . . ?
F7_4 C4_4 F8_4 98.0(12) . . ?
F7_4 C4_4 F9_4 109.6(12) . . ?
F8_4 C4_4 F9_4 113.2(12) . . ?
F7_4 C4_4 C1_4 114.5(11) . . ?
F8_4 C4_4 C1_4 112.1(10) . . ?
F9_4 C4_4 C1_4 109.2(10) . . ?
C1_3 O1_3 Al1 155.1(15) . . ?
O1_3 C1_3 C2_3 109.9(13) . . ?
O1_3 C1_3 C3_3 107.9(13) . . ?
C2_3 C1_3 C3_3 108.9(12) . . ?
O1_3 C1_3 C4_3 112.8(15) . . ?
C2_3 C1_3 C4_3 107.8(12) . . ?
C3_3 C1_3 C4_3 109.5(12) . . ?
F3_3 C2_3 F1_3 121.9(19) . . ?
F3_3 C2_3 F2_3 110.5(16) . . ?
F1_3 C2_3 F2_3 100.2(13) . . ?
F3_3 C2_3 C1_3 109.2(15) . . ?
F1_3 C2_3 C1_3 106.8(12) . . ?
F2_3 C2_3 C1_3 107.3(13) . . ?
F5_3 C3_3 F4_3 105.3(17) . . ?
F5_3 C3_3 F6_3 107.0(16) . . ?
F4_3 C3_3 F6_3 107.4(15) . . ?
F5_3 C3_3 C1_3 113.6(15) . . ?
F4_3 C3_3 C1_3 110.5(13) . . ?
F6_3 C3_3 C1_3 112.7(14) . . ?
F8_3 C4_3 F7_3 109.7(16) . . ?
F8_3 C4_3 F9_3 112.5(17) . . ?
F7_3 C4_3 F9_3 109.1(16) . . ?
F8_3 C4_3 C1_3 111.3(15) . . ?
F7_3 C4_3 C1_3 107.6(14) . . ?
F9_3 C4_3 C1_3 106.5(15) . . ?
C1_2 O1_2 Al1 154.9(9) . . ?
O1_2 C1_2 C3_2 113.1(11) . . ?
O1_2 C1_2 C2_2 107.9(12) . . ?
C3_2 C1_2 C2_2 110.2(9) . . ?
O1_2 C1_2 C4_2 105.5(8) . . ?
C3_2 C1_2 C4_2 113.3(12) . . ?
C2_2 C1_2 C4_2 106.5(11) . . ?
F2_2 C2_2 F1_2 105.0(12) . . ?
F2_2 C2_2 F3_2 119.2(14) . . ?
F1_2 C2_2 F3_2 104.8(13) . . ?
F2_2 C2_2 C1_2 112.4(11) . . ?
F1_2 C2_2 C1_2 111.1(12) . . ?
F3_2 C2_2 C1_2 104.1(10) . . ?
F4_2 C3_2 F5_2 117.6(14) . . ?
F4_2 C3_2 F6_2 105.1(13) . . ?
F5_2 C3_2 F6_2 94.7(14) . . ?
F4_2 C3_2 C1_2 112.6(11) . . ?
F5_2 C3_2 C1_2 112.3(12) . . ?
F6_2 C3_2 C1_2 112.9(12) . . ?
F7_2 C4_2 F8_2 102.3(13) . . ?
F7_2 C4_2 F9_2 107.8(10) . . ?
F8_2 C4_2 F9_2 115.6(14) . . ?
F7_2 C4_2 C1_2 112.4(14) . . ?
F8_2 C4_2 C1_2 110.7(10) . . ?
F9_2 C4_2 C1_2 108.0(12) . . ?
Ge2 As1 Ge1 76.55(4) . . ?
Ge1 As2 Ge2 76.26(4) . . ?
N1 Ge1 N1 91.9(3) 4_655 . ?
N1 Ge1 As2 117.16(16) 4_655 . ?
N1 Ge1 As2 117.15(16) . . ?
N1 Ge1 As1 113.76(15) 4_655 . ?
N1 Ge1 As1 113.76(15) . . ?
As2 Ge1 As1 103.55(4) . . ?
N2 Ge2 N2 93.0(3) . 4_655 ?
N2 Ge2 As1 116.71(18) . . ?
N2 Ge2 As1 116.71(18) 4_655 . ?
N2 Ge2 As2 113.63(18) . . ?
N2 Ge2 As2 113.63(18) 4_655 . ?
As1 Ge2 As2 103.63(4) . . ?
C2 N1 C5 116.3(5) . . ?
C2 N1 Ge1 120.5(4) . . ?
C5 N1 Ge1 122.6(4) . . ?
C3 N2 C17 115.0(5) . . ?
C3 N2 Ge2 120.4(4) . . ?
C17 N2 Ge2 124.2(4) . . ?
O1_4 Al1 O1_4 125.3(9) 4 . ?
O1_4 Al1 O1_2 116.5(6) 4 . ?
O1_4 Al1 O1_2 98.9(6) . . ?
O1_4 Al1 O1_3 95.3(9) 4 . ?
O1_4 Al1 O1_3 110.2(8) . . ?
O1_2 Al1 O1_3 110.5(7) . . ?
O1_4 Al1 O1_5 20.8(5) 4 4 ?
O1_4 Al1 O1_5 105.4(8) . 4 ?
O1_2 Al1 O1_5 120.1(9) . 4 ?
O1_3 Al1 O1_5 110.6(10) . 4 ?
O1_5 Al1 O1_5 85.0(10) 4 . ?
C2 C1 C2 121.1(9) . 4_655 ?
C2 C1 H1 119.5 . . ?
C2 C1 H1 119.5 4_655 . ?
N1 C2 C1 127.2(6) . . ?
N1 C2 H2 116.4 . . ?
C1 C2 H2 116.4 . . ?
N2 C3 C4 126.4(6) . . ?
N2 C3 H3 116.8 . . ?
C4 C3 H3 116.8 . . ?
C3 C4 C3 122.5(9) 4_655 . ?
C3 C4 H4 118.8 4_655 . ?
C3 C4 H4 118.8 . . ?
C10 C5 C6 122.9(6) . . ?
C10 C5 N1 118.3(5) . . ?
C6 C5 N1 118.5(6) . . ?
C7 C6 C5 116.8(6) . . ?
C7 C6 C11 119.0(6) . . ?
C5 C6 C11 124.2(6) . . ?
C8 C7 C6 121.2(6) . . ?
C8 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
C7 C8 C9 121.0(6) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C8 C9 C10 120.6(7) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C9 C10 C5 117.5(6) . . ?
C9 C10 C14 120.3(6) . . ?
C5 C10 C14 122.0(6) . . ?
C6 C11 C13 111.3(6) . . ?
C6 C11 C12 110.5(6) . . ?
C13 C11 C12 110.7(7) . . ?
C6 C11 H11 108.1 . . ?
C13 C11 H11 108.1 . . ?
C12 C11 H11 108.1 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C16 C14 C15 112.0(7) . . ?
C16 C14 C10 109.3(7) . . ?
C15 C14 C10 112.5(7) . . ?
C16 C14 H14 107.6 . . ?
C15 C14 H14 107.6 . . ?
C10 C14 H14 107.6 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C22 122.1(6) . . ?
C18 C17 N2 118.7(6) . . ?
C22 C17 N2 119.0(7) . . ?
C17 C18 C19 118.2(7) . . ?
C17 C18 C23 122.6(6) . . ?
C19 C18 C23 119.1(7) . . ?
C20 C19 C18 121.0(9) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C21 C20 C19 119.4(7) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C20 C21 C22 122.7(8) . . ?
C20 C21 H21 118.7 . . ?
C22 C21 H21 118.7 . . ?
C21 C22 C17 116.6(8) . . ?
C21 C22 C26 119.5(7) . . ?
C17 C22 C26 123.8(7) . . ?
C18 C23 C24 114.3(7) . . ?
C18 C23 C25 110.5(7) . . ?
C24 C23 C25 109.6(8) . . ?
C18 C23 H23 107.4 . . ?
C24 C23 H23 107.4 . . ?
C25 C23 H23 107.4 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 C28 112.0(8) . . ?
C22 C26 C27 110.6(7) . . ?
C28 C26 C27 110.3(8) . . ?
C22 C26 H26 107.9 . . ?
C28 C26 H26 107.9 . . ?
C27 C26 H26 107.9 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

_refine_diff_density_max         0.997
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.102

