# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_xcd310
_database_code_depnum_ccdc_archive 'CCDC 1922573'
loop_
_audit_author_name
_audit_author_address
'Michael T. Gamer'
;Karlsruhe Institute of Technology
Germany
;
_audit_update_record             
;
2019-06-12 deposited with the CCDC.	2019-07-05 downloaded from the CCDC.
;
_audit_creation_date             2019-03-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3

#==============================================================================

_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C39 H50 As N3 Si'
_chemical_formula_sum            'C39 H50 As N3 Si'
_chemical_formula_weight         663.83
_chemical_melting_point          ?
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'
As As 0.0499 2.0058 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   16.8814(4)
_cell_length_b                   12.7921(3)
_cell_length_c                   18.4683(5)
_cell_angle_alpha                90
_cell_angle_beta                 116.297(2)
_cell_angle_gamma                90
_cell_volume                     3575.46(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    34165
_cell_measurement_temperature    150
_cell_measurement_theta_max      29.64
_cell_measurement_theta_min      2.01
_shelx_estimated_absorpt_T_max   0.813
_shelx_estimated_absorpt_T_min   0.691
_exptl_absorpt_coefficient_mu    1.015
_exptl_absorpt_correction_T_max  0.7781
_exptl_absorpt_correction_T_min  0.4204
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens published in F. R. Ahmed (Editor), "Crystallographic Computing",
Munksgaard, Copenhagen (1970), 255 - 270.
Afterwards scaling of reflection intensities was performed within STOE LANA.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different 
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol.9, no.2, 2016, pp. 136-140. 
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.393
_exptl_crystal_size_mid          0.324
_exptl_crystal_size_min          0.213
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0365
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28628
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.228
_diffrn_reflns_theta_min         2.012
_diffrn_ambient_temperature      150
_diffrn_detector                 'image plate (34cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE Imaging Plate'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      
;
 235 frames, detector distance = 100 mm
;
_diffrn_measurement_device       '2-circle diffractometer'
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '0.5 mm diameter, multiple pinhole'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube, 12x0.4mm long-fine focus'
_diffrn_source_current           40mA
_diffrn_source_power             2kW
_diffrn_source_target            ?
_diffrn_source_type              ?
_diffrn_source_voltage           50kV
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7412
_reflns_number_total             9644
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
PLATON (A.L.Spek, 2009)
;
_computing_data_reduction        
;
X-Area Integrate 1.73.1.0 (STOE, 2018)
PLATON (A.L.Spek, 2009)
;
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'Diamond 4, Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 1.84, Darmstadt 2018
MS Word (Microsoft)
Olex2 (Dolomanov et al., 2009)
;
_refine_diff_density_max         0.906
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         9644
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0432
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0819P)²+0.1514P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1222
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C12(H12), C14(H14), C21(H21), C22(H22), C23(H23), C24(H24),
 C25(H25), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C27(H27A,H27B,H27C), C28(H28A,H28B,
 H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,
 H33B,H33C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
As As 0.68248(2) 0.64498(2) 0.34231(2) 0.02755(7) Uani 1 1 d . . . . .
Si Si 0.79785(4) 0.67521(4) 0.30280(3) 0.02748(12) Uani 1 1 d . . . . .
N1 N 0.85063(11) 0.78954(13) 0.36636(10) 0.0279(3) Uani 1 1 d . . . . .
N2 N 0.75238(11) 0.79352(14) 0.24261(10) 0.0310(3) Uani 1 1 d . . . . .
N3 N 0.85813(14) 0.60145(16) 0.28057(12) 0.0430(4) Uani 1 1 d . . . . .
C1 C 0.68880(13) 0.51887(15) 0.40781(11) 0.0285(4) Uani 1 1 d . . . . .
C2 C 0.75897(14) 0.44883(16) 0.44485(12) 0.0323(4) Uani 1 1 d . . . . .
C3 C 0.75433(16) 0.37231(17) 0.49741(13) 0.0372(5) Uani 1 1 d . . . . .
H3 H 0.802671 0.325692 0.522807 0.045 Uiso 1 1 calc R . . . .
C4 C 0.68274(16) 0.36217(17) 0.51357(13) 0.0372(5) Uani 1 1 d . . . . .
C5 C 0.61219(15) 0.42968(17) 0.47379(12) 0.0346(4) Uani 1 1 d . . . . .
H5 H 0.560533 0.421320 0.481517 0.041 Uiso 1 1 calc R . . . .
C6 C 0.61410(13) 0.50896(16) 0.42315(11) 0.0304(4) Uani 1 1 d . . . . .
C7 C 0.53574(14) 0.58205(19) 0.38839(13) 0.0375(5) Uani 1 1 d . . . . .
H7A H 0.556564 0.654588 0.397020 0.056 Uiso 1 1 calc GR . . . .
H7B H 0.497824 0.570072 0.415241 0.056 Uiso 1 1 calc GR . . . .
H7C H 0.502015 0.568886 0.330357 0.056 Uiso 1 1 calc GR . . . .
C8 C 0.6787(2) 0.2824(2) 0.57208(16) 0.0514(6) Uani 1 1 d . . . . .
H8A H 0.729927 0.235794 0.589520 0.077 Uiso 1 1 calc GR . . . .
H8B H 0.624300 0.241355 0.545513 0.077 Uiso 1 1 calc GR . . . .
H8C H 0.679228 0.318271 0.619179 0.077 Uiso 1 1 calc GR . . . .
C9 C 0.84139(14) 0.44835(18) 0.43226(14) 0.0378(5) Uani 1 1 d . . . . .
H9A H 0.831306 0.489925 0.384382 0.057 Uiso 1 1 calc GR . . . .
H9B H 0.855894 0.376320 0.424519 0.057 Uiso 1 1 calc GR . . . .
H9C H 0.890516 0.478492 0.479716 0.057 Uiso 1 1 calc GR . . . .
C10 C 0.58562(12) 0.60228(16) 0.23762(11) 0.0281(4) Uani 1 1 d . . . . .
C11 C 0.58545(13) 0.50686(16) 0.19928(12) 0.0305(4) Uani 1 1 d . . . . .
C12 C 0.51132(15) 0.48047(18) 0.12864(13) 0.0365(4) Uani 1 1 d . . . . .
H12 H 0.510885 0.415705 0.103294 0.044 Uiso 1 1 calc R . . . .
C13 C 0.43806(14) 0.5451(2) 0.09381(13) 0.0399(5) Uani 1 1 d . . . . .
C14 C 0.44075(15) 0.64062(19) 0.13092(13) 0.0378(5) Uani 1 1 d . . . . .
H14 H 0.391786 0.686724 0.107095 0.045 Uiso 1 1 calc R . . . .
C15 C 0.51297(14) 0.67056(17) 0.20181(12) 0.0319(4) Uani 1 1 d . . . . .
C16 C 0.50880(15) 0.77559(18) 0.23763(14) 0.0399(5) Uani 1 1 d . . . . .
H16A H 0.491919 0.765617 0.281554 0.060 Uiso 1 1 calc GR . . . .
H16B H 0.464911 0.819858 0.195734 0.060 Uiso 1 1 calc GR . . . .
H16C H 0.566871 0.809317 0.258801 0.060 Uiso 1 1 calc GR . . . .
C17 C 0.35831(17) 0.5125(2) 0.01769(15) 0.0553(7) Uani 1 1 d . . . . .
H17A H 0.374059 0.510188 -0.027375 0.083 Uiso 1 1 calc GR . . . .
H17B H 0.310512 0.563110 0.005655 0.083 Uiso 1 1 calc GR . . . .
H17C H 0.338676 0.443137 0.025461 0.083 Uiso 1 1 calc GR . . . .
C18 C 0.66227(14) 0.43214(17) 0.23069(13) 0.0362(4) Uani 1 1 d . . . . .
H18A H 0.715264 0.468038 0.234511 0.054 Uiso 1 1 calc GR . . . .
H18B H 0.649034 0.372618 0.193733 0.054 Uiso 1 1 calc GR . . . .
H18C H 0.672521 0.407101 0.284286 0.054 Uiso 1 1 calc GR . . . .
C19 C 0.80349(13) 0.85411(15) 0.30555(12) 0.0289(4) Uani 1 1 d . . . . .
C20 C 0.80827(14) 0.97021(16) 0.30649(12) 0.0326(4) Uani 1 1 d . . . . .
C21 C 0.74410(16) 1.03098(19) 0.31384(15) 0.0435(5) Uani 1 1 d . . . . .
H21 H 0.697050 0.998880 0.320580 0.052 Uiso 1 1 calc R . . . .
C22 C 0.7493(2) 1.1394(2) 0.31124(17) 0.0508(6) Uani 1 1 d . . . . .
H22 H 0.706160 1.181369 0.317208 0.061 Uiso 1 1 calc R . . . .
C23 C 0.81637(19) 1.18638(19) 0.30013(15) 0.0498(6) Uani 1 1 d . . . . .
H23 H 0.818825 1.260402 0.297517 0.060 Uiso 1 1 calc R . . . .
C24 C 0.88000(18) 1.12595(18) 0.29279(15) 0.0451(6) Uani 1 1 d . . . . .
H24 H 0.926300 1.158571 0.285156 0.054 Uiso 1 1 calc R . . . .
C25 C 0.87691(15) 1.01783(17) 0.29648(13) 0.0377(5) Uani 1 1 d . . . . .
H25 H 0.921394 0.976496 0.292191 0.045 Uiso 1 1 calc R . . . .
C26 C 0.90644(13) 0.81062(16) 0.45334(11) 0.0305(4) Uani 1 1 d . . . . .
C27 C 0.85929(18) 0.8805(2) 0.48900(15) 0.0469(6) Uani 1 1 d . . . . .
H27A H 0.850582 0.950113 0.464519 0.070 Uiso 1 1 calc GR . . . .
H27B H 0.895237 0.886262 0.547515 0.070 Uiso 1 1 calc GR . . . .
H27C H 0.801788 0.849945 0.477867 0.070 Uiso 1 1 calc GR . . . .
C28 C 0.99458(16) 0.8576(2) 0.46557(15) 0.0456(6) Uani 1 1 d . . . . .
H28A H 1.033172 0.865148 0.523486 0.068 Uiso 1 1 calc GR . . . .
H28B H 0.984419 0.926388 0.439608 0.068 Uiso 1 1 calc GR . . . .
H28C H 1.022765 0.811484 0.441462 0.068 Uiso 1 1 calc GR . . . .
C29 C 0.92452(16) 0.70414(19) 0.49488(13) 0.0425(5) Uani 1 1 d . . . . .
H29A H 0.869187 0.674905 0.491168 0.064 Uiso 1 1 calc GR . . . .
H29B H 0.966763 0.712241 0.551806 0.064 Uiso 1 1 calc GR . . . .
H29C H 0.949212 0.656915 0.468322 0.064 Uiso 1 1 calc GR . . . .
C30 C 0.70916(14) 0.81926(18) 0.15463(12) 0.0343(4) Uani 1 1 d . . . . .
C31 C 0.64209(19) 0.9070(2) 0.13594(15) 0.0545(7) Uani 1 1 d . . . . .
H31A H 0.603083 0.891593 0.161134 0.082 Uiso 1 1 calc GR . . . .
H31B H 0.606884 0.912853 0.077338 0.082 Uiso 1 1 calc GR . . . .
H31C H 0.673110 0.973018 0.157324 0.082 Uiso 1 1 calc GR . . . .
C32 C 0.77826(18) 0.8462(3) 0.12643(15) 0.0558(7) Uani 1 1 d . . . . .
H32A H 0.806819 0.912315 0.150993 0.084 Uiso 1 1 calc GR . . . .
H32B H 0.750022 0.853123 0.067482 0.084 Uiso 1 1 calc GR . . . .
H32C H 0.822689 0.790509 0.142535 0.084 Uiso 1 1 calc GR . . . .
C33 C 0.65944(18) 0.7211(2) 0.11043(13) 0.0483(6) Uani 1 1 d . . . . .
H33A H 0.700406 0.661816 0.125295 0.072 Uiso 1 1 calc GR . . . .
H33B H 0.634138 0.732542 0.051984 0.072 Uiso 1 1 calc GR . . . .
H33C H 0.611923 0.706041 0.125694 0.072 Uiso 1 1 calc GR . . . .
C34 C 0.88786(13) 0.51650(16) 0.25663(12) 0.0306(4) Uani 1 1 d . . . . .
C35 C 0.95673(15) 0.4530(2) 0.31058(14) 0.0408(5) Uani 1 1 d . . . . .
H35 H 0.984590 0.470008 0.366417 0.049 Uiso 1 1 calc R . . . .
C36 C 0.98488(16) 0.36476(19) 0.28313(16) 0.0439(6) Uani 1 1 d . . . . .
H36 H 1.030456 0.322071 0.320996 0.053 Uiso 1 1 calc R . . . .
C37 C 0.94821(19) 0.3391(2) 0.20333(18) 0.0486(6) Uani 1 1 d . . . . .
H37 H 0.968007 0.279245 0.185555 0.058 Uiso 1 1 calc R . . . .
C38 C 0.88261(17) 0.4006(2) 0.14927(16) 0.0481(6) Uani 1 1 d . . . . .
H38 H 0.857317 0.383793 0.093407 0.058 Uiso 1 1 calc R . . . .
C39 C 0.85241(15) 0.4870(2) 0.17466(14) 0.0405(5) Uani 1 1 d . . . . .
H39 H 0.806269 0.527880 0.135583 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
As Si 2.3948(6) . ?
As C1 1.9907(19) . ?
As C10 1.9771(19) . ?
Si N1 1.8395(17) . ?
Si N2 1.8328(18) . ?
Si N3 1.570(2) . ?
Si C19 2.290(2) . ?
N1 C19 1.336(2) . ?
N1 C26 1.483(2) . ?
N2 C19 1.344(3) . ?
N2 C30 1.494(2) . ?
N3 C34 1.351(3) . ?
C1 C2 1.399(3) . ?
C1 C6 1.415(3) . ?
C2 C3 1.405(3) . ?
C2 C9 1.509(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(3) . ?
C4 C5 1.389(3) . ?
C4 C8 1.510(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.390(3) . ?
C6 C7 1.511(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.410(3) . ?
C10 C15 1.409(3) . ?
C11 C12 1.391(3) . ?
C11 C18 1.505(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.387(3) . ?
C13 C14 1.391(3) . ?
C13 C17 1.512(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.390(3) . ?
C15 C16 1.513(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.487(3) . ?
C20 C21 1.388(3) . ?
C20 C25 1.392(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.392(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.374(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.378(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.387(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.527(3) . ?
C26 C28 1.526(3) . ?
C26 C29 1.526(3) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.521(3) . ?
C30 C32 1.513(3) . ?
C30 C33 1.530(3) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.407(3) . ?
C34 C39 1.410(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.403(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.362(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.365(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.384(3) . ?
C39 H39 0.9500 . ?

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 As Si 118.96(6) . . ?
C10 As Si 100.28(6) . . ?
C10 As C1 99.72(8) . . ?
N1 Si As 99.40(6) . . ?
N1 Si C19 35.68(7) . . ?
N2 Si As 98.02(6) . . ?
N2 Si N1 71.63(8) . . ?
N2 Si C19 35.94(7) . . ?
N3 Si As 133.76(8) . . ?
N3 Si N1 117.25(10) . . ?
N3 Si N2 118.91(10) . . ?
N3 Si C19 125.52(9) . . ?
C19 Si As 100.72(5) . . ?
C19 N1 Si 90.89(12) . . ?
C19 N1 C26 130.84(17) . . ?
C26 N1 Si 137.00(13) . . ?
C19 N2 Si 90.91(12) . . ?
C19 N2 C30 129.09(18) . . ?
C30 N2 Si 135.51(14) . . ?
C34 N3 Si 161.25(18) . . ?
C2 C1 As 128.47(15) . . ?
C2 C1 C6 118.78(18) . . ?
C6 C1 As 112.43(15) . . ?
C1 C2 C3 119.32(19) . . ?
C1 C2 C9 124.50(18) . . ?
C3 C2 C9 116.18(19) . . ?
C2 C3 H3 118.7 . . ?
C4 C3 C2 122.7(2) . . ?
C4 C3 H3 118.7 . . ?
C3 C4 C5 117.2(2) . . ?
C3 C4 C8 122.9(2) . . ?
C5 C4 C8 119.9(2) . . ?
C4 C5 H5 118.7 . . ?
C4 C5 C6 122.7(2) . . ?
C6 C5 H5 118.7 . . ?
C1 C6 C7 123.33(18) . . ?
C5 C6 C1 119.24(19) . . ?
C5 C6 C7 117.42(18) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C2 C9 H9A 109.5 . . ?
C2 C9 H9B 109.5 . . ?
C2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 As 123.16(15) . . ?
C15 C10 As 117.29(15) . . ?
C15 C10 C11 119.54(18) . . ?
C10 C11 C18 123.11(18) . . ?
C12 C11 C10 118.80(19) . . ?
C12 C11 C18 118.09(19) . . ?
C11 C12 H12 118.8 . . ?
C13 C12 C11 122.5(2) . . ?
C13 C12 H12 118.8 . . ?
C12 C13 C14 117.9(2) . . ?
C12 C13 C17 120.7(2) . . ?
C14 C13 C17 121.4(2) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 C13 122.0(2) . . ?
C15 C14 H14 119.0 . . ?
C10 C15 C16 123.00(19) . . ?
C14 C15 C10 119.3(2) . . ?
C14 C15 C16 117.72(19) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C11 C18 H18A 109.5 . . ?
C11 C18 H18B 109.5 . . ?
C11 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N1 C19 Si 53.43(10) . . ?
N1 C19 N2 106.58(17) . . ?
N1 C19 C20 126.78(18) . . ?
N2 C19 Si 53.15(10) . . ?
N2 C19 C20 126.62(18) . . ?
C20 C19 Si 178.86(15) . . ?
C21 C20 C19 121.3(2) . . ?
C21 C20 C25 120.0(2) . . ?
C25 C20 C19 118.67(19) . . ?
C20 C21 H21 120.3 . . ?
C20 C21 C22 119.4(2) . . ?
C22 C21 H21 120.3 . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.6(2) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 119.9(2) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.4(2) . . ?
C25 C24 H24 119.8 . . ?
C20 C25 H25 120.2 . . ?
C24 C25 C20 119.6(2) . . ?
C24 C25 H25 120.2 . . ?
N1 C26 C27 111.79(17) . . ?
N1 C26 C28 109.99(17) . . ?
N1 C26 C29 105.77(16) . . ?
C28 C26 C27 111.5(2) . . ?
C28 C26 C29 108.21(19) . . ?
C29 C26 C27 109.39(19) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N2 C30 C31 111.42(18) . . ?
N2 C30 C32 110.20(18) . . ?
N2 C30 C33 106.71(17) . . ?
C31 C30 C33 107.9(2) . . ?
C32 C30 C31 111.3(2) . . ?
C32 C30 C33 109.1(2) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N3 C34 C35 122.9(2) . . ?
N3 C34 C39 121.6(2) . . ?
C35 C34 C39 115.5(2) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 C34 121.0(2) . . ?
C36 C35 H35 119.5 . . ?
C35 C36 H36 119.3 . . ?
C37 C36 C35 121.4(2) . . ?
C37 C36 H36 119.3 . . ?
C36 C37 H37 120.5 . . ?
C36 C37 C38 119.0(2) . . ?
C38 C37 H37 120.5 . . ?
C37 C38 H38 119.5 . . ?
C37 C38 C39 120.9(2) . . ?
C39 C38 H38 119.5 . . ?
C34 C39 H39 118.9 . . ?
C38 C39 C34 122.2(2) . . ?
C38 C39 H39 118.9 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_xcd150
_database_code_depnum_ccdc_archive 'CCDC 1922576'
loop_
_audit_author_name
_audit_author_address
'Michael T. Gamer'
;Karlsruhe Institute of Technology
Germany
;
_audit_update_record             
;
2019-06-12 deposited with the CCDC.	2019-07-05 downloaded from the CCDC.
;
_audit_creation_date             2019-03-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3

#==============================================================================
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H54 As2 Ge N2'
_chemical_formula_sum            'C48 H54 As2 Ge N2'
_chemical_formula_weight         881.36
_chemical_melting_point          ?
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'
As As 0.0499 2.0058 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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                   13.0143(7)
_cell_length_b                   18.0257(7)
_cell_length_c                   19.1618(10)
_cell_angle_alpha                90
_cell_angle_beta                 107.787(4)
_cell_angle_gamma                90
_cell_volume                     4280.3(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12144
_cell_measurement_temperature    210
_cell_measurement_theta_max      29.32
_cell_measurement_theta_min      1.99
_shelx_estimated_absorpt_T_max   0.851
_shelx_estimated_absorpt_T_min   0.653
_exptl_absorpt_coefficient_mu    2.284
_exptl_absorpt_correction_T_max  0.7007
_exptl_absorpt_correction_T_min  0.4074
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in: F. R. Ahmed (Editor), "Crystallographic
Computing", Munksgaard, Copenhagen (1970), 255 - 270.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       rod
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.204
_exptl_crystal_size_mid          0.151
_exptl_crystal_size_min          0.073
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14395
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.496
_diffrn_reflns_theta_min         1.994
_diffrn_ambient_temperature      210
_diffrn_detector                 'image plate (34cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE Imaging Plate'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       '2-circle diffractometer'
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '0.5 mm diameter, multiple pinhole'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube, 12x0.4mm long-fine focus'
_diffrn_source_current           40mA
_diffrn_source_power             2kW
_diffrn_source_voltage           50kV
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4535
_reflns_number_total             5950
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
PLATON (A.L.Spek, 2009)
;
_computing_data_reduction        
;
X-Area Integrate 1.73.1.0 (STOE, 2018)
PLATON (A.L.Spek, 2009)
;
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'Diamond 4, Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 1.84, Darmstadt 2018
MS Word (Microsoft)
Olex2 (Dolomanov et al., 2009)
;
_refine_diff_density_max         0.953
_refine_diff_density_min         -0.737
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         5950
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0425
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0621P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.1053
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C12(H12), C14(H14), C20(H20), C21(H21), C22(H22), C23(H23),
 C24(H24)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
As As 0.33929(2) 0.73581(2) 0.34450(2) 0.03289(8) Uani 1 1 d . . . . .
Ge Ge 0.500000 0.78627(2) 0.250000 0.03681(11) Uani 1 2 d S T P . .
N N 0.46145(16) 0.72017(12) 0.31358(13) 0.0327(4) Uani 1 1 d . . . . .
C1 C 0.25508(19) 0.79365(16) 0.25724(15) 0.0358(5) Uani 1 1 d . . . . .
C2 C 0.2716(2) 0.86822(17) 0.24050(16) 0.0399(6) Uani 1 1 d . . . . .
C3 C 0.2158(2) 0.8950(2) 0.17101(17) 0.0492(7) Uani 1 1 d . . . . .
H3 H 0.227969 0.943617 0.159457 0.059 Uiso 1 1 calc R . . . .
C4 C 0.1428(2) 0.8523(2) 0.11814(17) 0.0530(8) Uani 1 1 d . . . . .
C5 C 0.1226(2) 0.7811(2) 0.13709(18) 0.0511(8) Uani 1 1 d . . . . .
H5 H 0.072092 0.752190 0.103176 0.061 Uiso 1 1 calc R . . . .
C6 C 0.1762(2) 0.75137(18) 0.20587(17) 0.0434(6) Uani 1 1 d . . . . .
C7 C 0.1459(2) 0.6735(2) 0.2217(2) 0.0554(8) Uani 1 1 d . . . . .
H7A H 0.205694 0.640738 0.225947 0.083 Uiso 1 1 calc GR . . . .
H7B H 0.084722 0.657055 0.182490 0.083 Uiso 1 1 calc GR . . . .
H7C H 0.128169 0.673268 0.266812 0.083 Uiso 1 1 calc GR . . . .
C8 C 0.0866(3) 0.8838(3) 0.0425(2) 0.0773(13) Uani 1 1 d . . . . .
H8A H 0.051816 0.929588 0.047337 0.116 Uiso 1 1 calc GR . . . .
H8B H 0.033693 0.849006 0.015123 0.116 Uiso 1 1 calc GR . . . .
H8C H 0.138854 0.892600 0.017289 0.116 Uiso 1 1 calc GR . . . .
C9 C 0.3450(2) 0.92217(17) 0.29287(19) 0.0472(7) Uani 1 1 d . . . . .
H9A H 0.310606 0.939296 0.327611 0.071 Uiso 1 1 calc GR . . . .
H9B H 0.359626 0.963659 0.265928 0.071 Uiso 1 1 calc GR . . . .
H9C H 0.411559 0.897869 0.318356 0.071 Uiso 1 1 calc GR . . . .
C10 C 0.3727(2) 0.81110(15) 0.42339(15) 0.0347(5) Uani 1 1 d . . . . .
C11 C 0.4740(2) 0.84010(16) 0.46441(16) 0.0404(6) Uani 1 1 d . . . . .
C12 C 0.4787(2) 0.89048(18) 0.51989(18) 0.0492(7) Uani 1 1 d . . . . .
H12 H 0.545454 0.910522 0.545451 0.059 Uiso 1 1 calc R . . . .
C13 C 0.3891(3) 0.91253(18) 0.53926(18) 0.0498(7) Uani 1 1 d . . . . .
C14 C 0.2905(2) 0.88165(18) 0.50049(17) 0.0464(7) Uani 1 1 d . . . . .
H14 H 0.229404 0.894526 0.513252 0.056 Uiso 1 1 calc R . . . .
C15 C 0.2802(2) 0.83211(16) 0.44322(16) 0.0387(6) Uani 1 1 d . . . . .
C16 C 0.1688(2) 0.80214(18) 0.40375(19) 0.0485(7) Uani 1 1 d . . . . .
H16A H 0.145428 0.820809 0.354485 0.073 Uiso 1 1 calc GR . . . .
H16B H 0.119129 0.817700 0.429000 0.073 Uiso 1 1 calc GR . . . .
H16C H 0.171264 0.748936 0.402774 0.073 Uiso 1 1 calc GR . . . .
C17 C 0.3982(4) 0.9673(3) 0.6003(2) 0.0749(12) Uani 1 1 d . . . . .
H17A H 0.348501 1.007400 0.582542 0.112 Uiso 1 1 calc GR . . . .
H17B H 0.470414 0.986435 0.617227 0.112 Uiso 1 1 calc GR . . . .
H17C H 0.381360 0.942973 0.640040 0.112 Uiso 1 1 calc GR . . . .
C18 C 0.5787(2) 0.8195(2) 0.45037(19) 0.0512(8) Uani 1 1 d . . . . .
H18A H 0.583099 0.766538 0.446729 0.077 Uiso 1 1 calc GR . . . .
H18B H 0.638450 0.837028 0.490069 0.077 Uiso 1 1 calc GR . . . .
H18C H 0.581038 0.841843 0.405397 0.077 Uiso 1 1 calc GR . . . .
C19 C 0.51370(19) 0.65046(14) 0.33343(14) 0.0331(5) Uani 1 1 d . . . . .
C20 C 0.4579(2) 0.58349(16) 0.32704(17) 0.0418(6) Uani 1 1 d . . . . .
H20 H 0.382805 0.583760 0.311568 0.050 Uiso 1 1 calc R . . . .
C21 C 0.5123(3) 0.51664(18) 0.3433(2) 0.0527(8) Uani 1 1 d . . . . .
H21 H 0.473596 0.472593 0.338814 0.063 Uiso 1 1 calc R . . . .
C22 C 0.6238(3) 0.5150(2) 0.3663(2) 0.0566(8) Uani 1 1 d . . . . .
H22 H 0.660267 0.469969 0.376812 0.068 Uiso 1 1 calc R . . . .
C23 C 0.6807(2) 0.5807(2) 0.37360(18) 0.0512(8) Uani 1 1 d . . . . .
H23 H 0.755786 0.579814 0.389191 0.061 Uiso 1 1 calc R . . . .
C24 C 0.6268(2) 0.64804(17) 0.35781(16) 0.0404(6) Uani 1 1 d . . . . .
H24 H 0.666092 0.691936 0.363441 0.048 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
As N 1.8797(19) . ?
As C1 1.991(3) . ?
As C10 1.979(3) . ?
Ge N 1.879(2) 2_655 ?
Ge N 1.879(2) . ?
N C19 1.424(3) . ?
C1 C2 1.414(4) . ?
C1 C6 1.409(4) . ?
C2 C3 1.394(4) . ?
C2 C9 1.510(4) . ?
C3 C4 1.390(5) . ?
C4 C5 1.381(5) . ?
C4 C8 1.520(5) . ?
C5 C6 1.396(5) . ?
C6 C7 1.514(5) . ?
C10 C11 1.412(4) . ?
C10 C15 1.420(3) . ?
C11 C12 1.385(4) . ?
C11 C18 1.514(4) . ?
C12 C13 1.385(4) . ?
C13 C14 1.388(5) . ?
C13 C17 1.508(5) . ?
C14 C15 1.389(4) . ?
C15 C16 1.515(4) . ?
C19 C20 1.395(4) . ?
C19 C24 1.403(3) . ?
C20 C21 1.384(4) . ?
C21 C22 1.383(5) . ?
C22 C23 1.381(5) . ?
C23 C24 1.389(4) . ?

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
N As C1 96.63(10) . . ?
N As C10 109.50(10) . . ?
C10 As C1 102.63(11) . . ?
N Ge N 101.27(13) . 2_655 ?
Ge N As 121.90(11) . . ?
C19 N As 115.41(16) . . ?
C19 N Ge 122.17(15) . . ?
C2 C1 As 127.3(2) . . ?
C6 C1 As 113.6(2) . . ?
C6 C1 C2 119.0(3) . . ?
C1 C2 C9 124.8(3) . . ?
C3 C2 C1 118.3(3) . . ?
C3 C2 C9 116.8(3) . . ?
C4 C3 C2 123.1(3) . . ?
C3 C4 C8 120.7(4) . . ?
C5 C4 C3 117.7(3) . . ?
C5 C4 C8 121.5(4) . . ?
C4 C5 C6 121.6(3) . . ?
C1 C6 C7 122.7(3) . . ?
C5 C6 C1 119.9(3) . . ?
C5 C6 C7 117.4(3) . . ?
C11 C10 As 129.00(19) . . ?
C11 C10 C15 118.4(2) . . ?
C15 C10 As 112.38(19) . . ?
C10 C11 C18 123.2(3) . . ?
C12 C11 C10 119.0(2) . . ?
C12 C11 C18 117.8(3) . . ?
C11 C12 C13 123.4(3) . . ?
C12 C13 C14 117.3(3) . . ?
C12 C13 C17 121.5(3) . . ?
C14 C13 C17 121.2(3) . . ?
C13 C14 C15 122.1(3) . . ?
C10 C15 C16 122.1(3) . . ?
C14 C15 C10 119.8(3) . . ?
C14 C15 C16 118.0(2) . . ?
C20 C19 N 123.1(2) . . ?
C20 C19 C24 117.9(2) . . ?
C24 C19 N 118.9(2) . . ?
C21 C20 C19 121.1(3) . . ?
C22 C21 C20 120.4(3) . . ?
C23 C22 C21 119.5(3) . . ?
C22 C23 C24 120.5(3) . . ?
C23 C24 C19 120.6(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_xcd430
_database_code_depnum_ccdc_archive 'CCDC 1922574'
loop_
_audit_author_name
_audit_author_address
'Michael T. Gamer'
;Karlsruhe Institute of Technology
Germany
;
_audit_update_record             
;
2019-06-12 deposited with the CCDC.	2019-07-05 downloaded from the CCDC.
;
_audit_creation_date             2019-03-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3

#==============================================================================

_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C39 H50 As Ge N3'
_chemical_formula_sum            'C39 H50 As Ge N3'
_chemical_formula_weight         708.33
_chemical_melting_point          ?
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'
As As 0.0499 2.0058 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.1929(5)
_cell_length_b                   12.0657(7)
_cell_length_c                   16.2153(9)
_cell_angle_alpha                91.416(5)
_cell_angle_beta                 91.029(4)
_cell_angle_gamma                93.834(4)
_cell_volume                     1793.66(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11760
_cell_measurement_temperature    150
_cell_measurement_theta_max      29.53
_cell_measurement_theta_min      2.08
_shelx_estimated_absorpt_T_max   0.643
_shelx_estimated_absorpt_T_min   0.479
_exptl_absorpt_coefficient_mu    1.800
_exptl_absorpt_correction_T_max  0.3817
_exptl_absorpt_correction_T_min  0.3110
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in: F. R. Ahmed (Editor), "Crystallographic
Computing", Munksgaard, Copenhagen (1970), 255 - 270.
Afterwards a spherical absorption correction was performed within STOE LANA.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.378
_exptl_crystal_size_min          0.269
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0720
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18292
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.191
_diffrn_reflns_theta_min         1.692
_diffrn_ambient_temperature      150
_diffrn_detector                 'image plate (34cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE Imaging Plate'
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
 197 frames, detector distance = 100 mm
;
_diffrn_measurement_device       '2-circle diffractometer'
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '0.5 mm diameter, multiple pinhole'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube, 12x0.4mm long-fine focus'
_diffrn_source_current           40mA
_diffrn_source_power             2kW
_diffrn_source_target            ?
_diffrn_source_type              ?
_diffrn_source_voltage           50kV
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6232
_reflns_number_total             9516
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
PLATON (A.L.Spek, 2009)
;
_computing_data_reduction        
;
X-Area Integrate 1.73.1.0 (STOE, 2018)
PLATON (A.L.Spek, 2009)
;
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'Diamond 4, Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 1.84, Darmstadt 2018
MS Word (Microsoft)
Olex2 (Dolomanov et al., 2009)
;
_refine_diff_density_max         0.399
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.058
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.879
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         9516
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0278
_refine_ls_restrained_S_all      0.880
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0268P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0555
_refine_ls_wR_factor_ref         0.0577
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
N1 \\sim C19 \\sim N2: within 2A with sigma of 0.002 and sigma for terminal
atoms of 0.004
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C12(H12), C14(H14), C21(H21), C22(H22), C23(H23), C24(H24),
 C25(H25), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39)
3.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C27(H27A,H27B,H27C), C28(H28A,H28B,
 H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,
 H33B,H33C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
As As 0.45250(2) 0.86501(2) 0.35397(2) 0.02007(5) Uani 1 1 d . . . . .
Ge Ge 0.46859(2) 0.66583(2) 0.21249(2) 0.02197(6) Uani 1 1 d . . . . .
N1 N 0.45108(15) 0.49485(12) 0.22077(9) 0.0220(3) Uani 1 1 d . U . . .
N2 N 0.28429(15) 0.58920(12) 0.16630(9) 0.0208(3) Uani 1 1 d . U . . .
N3 N 0.39520(15) 0.72042(12) 0.31435(9) 0.0198(3) Uani 1 1 d . . . . .
C1 C 0.55016(18) 0.92370(14) 0.25505(11) 0.0207(4) Uani 1 1 d . . . . .
C2 C 0.69296(19) 0.90641(15) 0.22919(11) 0.0230(4) Uani 1 1 d . . . . .
C3 C 0.7454(2) 0.95983(16) 0.16001(12) 0.0282(4) Uani 1 1 d . . . . .
H3 H 0.842103 0.948778 0.143488 0.034 Uiso 1 1 calc R . . . .
C4 C 0.6629(2) 1.02863(16) 0.11394(12) 0.0326(5) Uani 1 1 d . . . . .
C5 C 0.5221(2) 1.04372(16) 0.13973(12) 0.0314(5) Uani 1 1 d . . . . .
H5 H 0.463086 1.090024 0.108817 0.038 Uiso 1 1 calc R . . . .
C6 C 0.46519(19) 0.99363(15) 0.20879(12) 0.0257(4) Uani 1 1 d . . . . .
C7 C 0.3129(2) 1.01945(17) 0.23380(13) 0.0339(5) Uani 1 1 d . . . . .
H7A H 0.252673 0.949921 0.239037 0.051 Uiso 1 1 calc GR . . . .
H7B H 0.269646 1.064751 0.191702 0.051 Uiso 1 1 calc GR . . . .
H7C H 0.317759 1.060388 0.286843 0.051 Uiso 1 1 calc GR . . . .
C8 C 0.7214(3) 1.08573(19) 0.03875(14) 0.0463(6) Uani 1 1 d . . . . .
H8A H 0.727836 1.166351 0.048804 0.069 Uiso 1 1 calc GR . . . .
H8B H 0.655924 1.066860 -0.008601 0.069 Uiso 1 1 calc GR . . . .
H8C H 0.818600 1.061156 0.027108 0.069 Uiso 1 1 calc GR . . . .
C9 C 0.79108(19) 0.83166(16) 0.27362(12) 0.0294(5) Uani 1 1 d . . . . .
H9A H 0.842163 0.873343 0.319329 0.044 Uiso 1 1 calc GR . . . .
H9B H 0.862485 0.804501 0.235169 0.044 Uiso 1 1 calc GR . . . .
H9C H 0.732489 0.768450 0.295292 0.044 Uiso 1 1 calc GR . . . .
C10 C 0.61465(18) 0.85748(15) 0.43557(11) 0.0216(4) Uani 1 1 d . . . . .
C11 C 0.63880(19) 0.76455(15) 0.48411(11) 0.0236(4) Uani 1 1 d . . . . .
C12 C 0.74695(19) 0.77514(17) 0.54562(12) 0.0279(4) Uani 1 1 d . . . . .
H12 H 0.763510 0.712557 0.578075 0.034 Uiso 1 1 calc R . . . .
C13 C 0.83111(19) 0.87274(18) 0.56144(12) 0.0292(5) Uani 1 1 d . . . . .
C14 C 0.79943(19) 0.96451(17) 0.51689(12) 0.0289(4) Uani 1 1 d . . . . .
H14 H 0.853220 1.033292 0.528453 0.035 Uiso 1 1 calc R . . . .
C15 C 0.69088(19) 0.95929(15) 0.45546(11) 0.0240(4) Uani 1 1 d . . . . .
C16 C 0.6578(2) 1.06606(15) 0.41421(12) 0.0301(5) Uani 1 1 d . . . . .
H16A H 0.702077 1.129506 0.446724 0.045 Uiso 1 1 calc GR . . . .
H16B H 0.551989 1.071366 0.410548 0.045 Uiso 1 1 calc GR . . . .
H16C H 0.697930 1.066481 0.358623 0.045 Uiso 1 1 calc GR . . . .
C17 C 0.9520(2) 0.8777(2) 0.62628(14) 0.0437(6) Uani 1 1 d . . . . .
H17A H 0.914974 0.844663 0.677051 0.066 Uiso 1 1 calc GR . . . .
H17B H 0.986225 0.955326 0.637614 0.066 Uiso 1 1 calc GR . . . .
H17C H 1.032934 0.836300 0.606163 0.066 Uiso 1 1 calc GR . . . .
C18 C 0.5494(2) 0.65593(16) 0.47563(13) 0.0336(5) Uani 1 1 d . . . . .
H18A H 0.590287 0.601757 0.512013 0.050 Uiso 1 1 calc GR . . . .
H18B H 0.551002 0.628331 0.418323 0.050 Uiso 1 1 calc GR . . . .
H18C H 0.448671 0.666822 0.491012 0.050 Uiso 1 1 calc GR . . . .
C19 C 0.33327(19) 0.48832(15) 0.17122(11) 0.0216(4) Uani 1 1 d . U . . .
C20 C 0.26734(19) 0.38617(15) 0.12727(12) 0.0259(4) Uani 1 1 d . . . . .
C21 C 0.1592(2) 0.32027(16) 0.16561(13) 0.0324(5) Uani 1 1 d . . . . .
H21 H 0.128431 0.339961 0.219321 0.039 Uiso 1 1 calc R . . . .
C22 C 0.0968(2) 0.22587(17) 0.12485(16) 0.0427(6) Uani 1 1 d . . . . .
H22 H 0.022604 0.180937 0.150400 0.051 Uiso 1 1 calc R . . . .
C23 C 0.1430(3) 0.19731(18) 0.04677(17) 0.0488(7) Uani 1 1 d . . . . .
H23 H 0.100706 0.132401 0.019039 0.059 Uiso 1 1 calc R . . . .
C24 C 0.2492(3) 0.26191(19) 0.00932(15) 0.0443(6) Uani 1 1 d . . . . .
H24 H 0.280421 0.241793 -0.044212 0.053 Uiso 1 1 calc R . . . .
C25 C 0.3107(2) 0.35603(17) 0.04922(13) 0.0342(5) Uani 1 1 d . . . . .
H25 H 0.383949 0.400832 0.022767 0.041 Uiso 1 1 calc R . . . .
C26 C 0.56082(19) 0.41160(16) 0.23350(12) 0.0261(4) Uani 1 1 d . . . . .
C27 C 0.6423(2) 0.38914(19) 0.15474(13) 0.0403(6) Uani 1 1 d . . . . .
H27A H 0.576134 0.348936 0.114556 0.060 Uiso 1 1 calc GR . . . .
H27B H 0.724507 0.344184 0.167111 0.060 Uiso 1 1 calc GR . . . .
H27C H 0.678774 0.459811 0.131757 0.060 Uiso 1 1 calc GR . . . .
C28 C 0.4915(2) 0.30401(17) 0.26601(14) 0.0399(5) Uani 1 1 d . . . . .
H28A H 0.433322 0.320393 0.314340 0.060 Uiso 1 1 calc GR . . . .
H28B H 0.567987 0.255356 0.281718 0.060 Uiso 1 1 calc GR . . . .
H28C H 0.428335 0.266826 0.222973 0.060 Uiso 1 1 calc GR . . . .
C29 C 0.6685(2) 0.46397(18) 0.29813(14) 0.0399(6) Uani 1 1 d . . . . .
H29A H 0.709735 0.535417 0.278696 0.060 Uiso 1 1 calc GR . . . .
H29B H 0.747021 0.414346 0.307285 0.060 Uiso 1 1 calc GR . . . .
H29C H 0.617848 0.475815 0.349964 0.060 Uiso 1 1 calc GR . . . .
C30 C 0.15369(19) 0.62766(15) 0.12315(11) 0.0237(4) Uani 1 1 d . . . . .
C31 C 0.1591(2) 0.60559(17) 0.02988(12) 0.0327(5) Uani 1 1 d . . . . .
H31A H 0.251519 0.637798 0.009001 0.049 Uiso 1 1 calc GR . . . .
H31B H 0.077772 0.639565 0.002614 0.049 Uiso 1 1 calc GR . . . .
H31C H 0.151420 0.525276 0.018347 0.049 Uiso 1 1 calc GR . . . .
C32 C 0.1591(2) 0.75251(15) 0.14018(12) 0.0286(4) Uani 1 1 d . . . . .
H32A H 0.150858 0.767118 0.199577 0.043 Uiso 1 1 calc GR . . . .
H32B H 0.078096 0.784026 0.110767 0.043 Uiso 1 1 calc GR . . . .
H32C H 0.251754 0.786767 0.121164 0.043 Uiso 1 1 calc GR . . . .
C33 C 0.01349(19) 0.57488(16) 0.15866(13) 0.0307(5) Uani 1 1 d . . . . .
H33A H 0.005861 0.495027 0.145274 0.046 Uiso 1 1 calc GR . . . .
H33B H -0.070622 0.609291 0.134766 0.046 Uiso 1 1 calc GR . . . .
H33C H 0.015268 0.586461 0.218708 0.046 Uiso 1 1 calc GR . . . .
C34 C 0.26198(18) 0.67674(15) 0.34841(11) 0.0204(4) Uani 1 1 d . . . . .
C35 C 0.14898(18) 0.74326(16) 0.36841(11) 0.0244(4) Uani 1 1 d . . . . .
H35 H 0.160440 0.820861 0.359544 0.029 Uiso 1 1 calc R . . . .
C36 C 0.02016(19) 0.69873(17) 0.40096(12) 0.0294(5) Uani 1 1 d . . . . .
H36 H -0.053907 0.746437 0.415559 0.035 Uiso 1 1 calc R . . . .
C37 C -0.00166(19) 0.58679(17) 0.41233(12) 0.0302(5) Uani 1 1 d . . . . .
H37 H -0.090990 0.556375 0.433469 0.036 Uiso 1 1 calc R . . . .
C38 C 0.1090(2) 0.51848(17) 0.39244(12) 0.0303(5) Uani 1 1 d . . . . .
H38 H 0.094967 0.440598 0.399498 0.036 Uiso 1 1 calc R . . . .
C39 C 0.24013(19) 0.56324(15) 0.36230(11) 0.0238(4) Uani 1 1 d . . . . .
H39 H 0.316125 0.515788 0.350974 0.029 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
As N3 1.8824(14) . ?
As C1 1.9757(18) . ?
As C10 1.9834(17) . ?
Ge N1 2.0665(15) . ?
Ge N2 1.9993(14) . ?
Ge N3 1.9138(14) . ?
Ge C19 2.4751(19) . ?
N1 C19 1.334(2) . ?
N1 C26 1.486(2) . ?
N2 C19 1.329(2) . ?
N2 C30 1.485(2) . ?
N3 C34 1.427(2) . ?
C1 C2 1.412(2) . ?
C1 C6 1.408(2) . ?
C2 C3 1.386(3) . ?
C2 C9 1.504(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.385(3) . ?
C4 C5 1.389(3) . ?
C4 C8 1.505(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.380(3) . ?
C6 C7 1.515(2) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.413(2) . ?
C10 C15 1.400(3) . ?
C11 C12 1.393(2) . ?
C11 C18 1.501(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(3) . ?
C13 C14 1.381(3) . ?
C13 C17 1.513(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.395(3) . ?
C15 C16 1.512(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.495(3) . ?
C20 C21 1.396(3) . ?
C20 C25 1.381(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.387(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.386(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.368(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.376(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.520(3) . ?
C26 C28 1.518(3) . ?
C26 C29 1.524(3) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.531(3) . ?
C30 C32 1.522(3) . ?
C30 C33 1.527(2) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.392(2) . ?
C34 C39 1.395(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.386(2) . ?
C36 H36 0.9500 . ?
C36 C37 1.370(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.389(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.389(2) . ?
C39 H39 0.9500 . ?

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
N3 As C1 99.45(7) . . ?
N3 As C10 109.08(7) . . ?
C1 As C10 103.56(7) . . ?
N1 Ge C19 32.60(5) . . ?
N2 Ge N1 64.13(6) . . ?
N2 Ge C19 32.41(5) . . ?
N3 Ge N1 105.04(6) . . ?
N3 Ge N2 98.70(6) . . ?
N3 Ge C19 109.63(6) . . ?
C19 N1 Ge 90.80(11) . . ?
C19 N1 C26 129.02(15) . . ?
C26 N1 Ge 132.59(11) . . ?
C19 N2 Ge 93.89(11) . . ?
C19 N2 C30 130.69(16) . . ?
C30 N2 Ge 133.99(12) . . ?
As N3 Ge 120.36(8) . . ?
C34 N3 As 113.13(11) . . ?
C34 N3 Ge 122.75(11) . . ?
C2 C1 As 127.47(13) . . ?
C6 C1 As 113.78(13) . . ?
C6 C1 C2 118.70(17) . . ?
C1 C2 C9 122.64(17) . . ?
C3 C2 C1 119.04(17) . . ?
C3 C2 C9 118.32(16) . . ?
C2 C3 H3 118.6 . . ?
C4 C3 C2 122.81(18) . . ?
C4 C3 H3 118.6 . . ?
C3 C4 C5 117.37(19) . . ?
C3 C4 C8 122.12(19) . . ?
C5 C4 C8 120.51(19) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 C4 122.16(18) . . ?
C6 C5 H5 118.9 . . ?
C1 C6 C7 122.04(17) . . ?
C5 C6 C1 119.90(17) . . ?
C5 C6 C7 118.02(17) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C2 C9 H9A 109.5 . . ?
C2 C9 H9B 109.5 . . ?
C2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 As 124.80(14) . . ?
C15 C10 As 115.06(13) . . ?
C15 C10 C11 119.02(17) . . ?
C10 C11 C18 123.49(17) . . ?
C12 C11 C10 118.59(18) . . ?
C12 C11 C18 117.86(17) . . ?
C11 C12 H12 118.6 . . ?
C13 C12 C11 122.81(18) . . ?
C13 C12 H12 118.6 . . ?
C12 C13 C14 117.62(17) . . ?
C12 C13 C17 120.43(19) . . ?
C14 C13 C17 121.94(19) . . ?
C13 C14 H14 119.0 . . ?
C13 C14 C15 122.01(18) . . ?
C15 C14 H14 119.0 . . ?
C10 C15 C16 122.52(17) . . ?
C14 C15 C10 119.58(17) . . ?
C14 C15 C16 117.88(17) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C11 C18 H18A 109.5 . . ?
C11 C18 H18B 109.5 . . ?
C11 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N1 C19 Ge 56.60(9) . . ?
N1 C19 C20 126.47(16) . . ?
N2 C19 Ge 53.70(9) . . ?
N2 C19 N1 108.33(16) . . ?
N2 C19 C20 125.20(16) . . ?
C20 C19 Ge 166.62(13) . . ?
C21 C20 C19 119.39(18) . . ?
C25 C20 C19 121.31(18) . . ?
C25 C20 C21 119.30(19) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 C20 119.6(2) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.8(2) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.5(2) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0(2) . . ?
C25 C24 H24 120.0 . . ?
C20 C25 H25 119.6 . . ?
C24 C25 C20 120.8(2) . . ?
C24 C25 H25 119.6 . . ?
N1 C26 C27 111.37(16) . . ?
N1 C26 C28 111.50(14) . . ?
N1 C26 C29 105.47(15) . . ?
C27 C26 C29 108.81(16) . . ?
C28 C26 C27 110.41(17) . . ?
C28 C26 C29 109.12(18) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N2 C30 C31 111.47(14) . . ?
N2 C30 C32 105.26(14) . . ?
N2 C30 C33 111.09(15) . . ?
C32 C30 C31 109.06(15) . . ?
C32 C30 C33 108.65(15) . . ?
C33 C30 C31 111.08(16) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 N3 122.53(16) . . ?
C35 C34 C39 117.26(16) . . ?
C39 C34 N3 120.21(15) . . ?
C34 C35 H35 119.3 . . ?
C36 C35 C34 121.45(18) . . ?
C36 C35 H35 119.3 . . ?
C35 C36 H36 119.6 . . ?
C37 C36 C35 120.81(18) . . ?
C37 C36 H36 119.6 . . ?
C36 C37 H37 120.6 . . ?
C36 C37 C38 118.88(17) . . ?
C38 C37 H37 120.6 . . ?
C37 C38 H38 119.8 . . ?
C37 C38 C39 120.48(18) . . ?
C39 C38 H38 119.8 . . ?
C34 C39 H39 119.5 . . ?
C38 C39 C34 121.07(17) . . ?
C38 C39 H39 119.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_xcd155
_database_code_depnum_ccdc_archive 'CCDC 1922575'
loop_
_audit_author_name
_audit_author_address
'Michael T. Gamer'
;Karlsruhe Institute of Technology
Germany
;
_audit_update_record             
;
2019-06-12 deposited with the CCDC.	2019-07-05 downloaded from the CCDC.
;
_audit_creation_date             2019-03-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3

#==============================================================================

_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H54 As2 Cl2 Ge2 N2, C5 H12'
_chemical_formula_sum            'C53 H66 As2 Cl2 Ge2 N2'
_chemical_formula_weight         1096.99
_chemical_melting_point          ?
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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   12.3661(12)
_cell_length_b                   8.5420(5)
_cell_length_c                   24.170(2)
_cell_angle_alpha                90
_cell_angle_beta                 98.891(7)
_cell_angle_gamma                90
_cell_volume                     2522.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11844
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.96
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   0.893
_shelx_estimated_absorpt_T_min   0.657
_exptl_absorpt_coefficient_mu    2.636
_exptl_absorpt_correction_T_max  0.8928
_exptl_absorpt_correction_T_min  0.4507
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens published in F. R. Ahmed (Editor), "Crystallographic Computing",
Munksgaard, Copenhagen (1970), 255 - 270.
Afterwards scaling of reflection intensities was performed within STOE LANA.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different 
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol.9, no.2, 2016, pp. 136-140. 
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1124
_exptl_crystal_size_max          0.174
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.044
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_unetI/netI     0.0838
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.870
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            14593
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.870
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.656
_diffrn_reflns_theta_min         2.532
_diffrn_ambient_temperature      100
_diffrn_detector                 Pilatus200K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 200K'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.870
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Mo Genix 3D HF'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_voltage           50
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3699
_reflns_number_total             6191
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_data_collection       'X-Area Pilatus3_SV 1.31.150.0 (STOE, 2018)'
_computing_cell_refinement       
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
PLATON (A.L.Spek, 2009)
;
_computing_data_reduction        
;
X-Area Integrate 1.73.1.0 (STOE, 2018)
X-Area LANA 1.73.2.0 (STOE, 2018)
PLATON (A.L.Spek, 2009)
;
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'Diamond 4, Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 1.84, Darmstadt 2018
MS Word (Microsoft)
Olex2 (Dolomanov et al., 2009)
;
_refine_diff_density_max         0.799
_refine_diff_density_min         -0.856
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         6191
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1009
_refine_ls_R_factor_gt           0.0515
_refine_ls_restrained_S_all      0.983
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0616P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1103
_refine_ls_wR_factor_ref         0.1291
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C21(H21), C20(H20), C24(H24), C14(H14), C3(H3), C12(H12), C22(H22),
 C23(H23)
2.b Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C8(H8A,H8B,H8C), C7(H7A,H7B,H7C), C9(H9A,H9B,H9C),
 C18(H18A,H18B,H18C), C17(H17A,H17B,H17C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
As As 0.26188(4) 0.51334(5) 0.44518(2) 0.02969(14) Uani 1 1 d . . . . .
Ge Ge 0.07699(4) 0.47612(5) 0.46539(2) 0.02795(14) Uani 1 1 d . . . . .
Cl Cl 0.02992(9) 0.30892(12) 0.39670(5) 0.0363(3) Uani 1 1 d . . . . .
N N 0.0393(3) 0.3904(4) 0.52970(15) 0.0310(9) Uani 1 1 d . . . . .
C5 C 0.4247(4) 0.7699(5) 0.58647(18) 0.0318(10) Uani 1 1 d . . . . .
H5 H 0.415382 0.794505 0.623771 0.038 Uiso 1 1 calc R . . . .
C19 C 0.0982(3) 0.2858(5) 0.56725(18) 0.0292(10) Uani 1 1 d . . . . .
C1 C 0.3563(4) 0.6495(5) 0.49842(19) 0.0306(10) Uani 1 1 d . . . . .
C16 C 0.1669(4) 0.8835(5) 0.44720(19) 0.0370(11) Uani 1 1 d . . . . .
H16A H 0.240258 0.905982 0.467377 0.056 Uiso 1 1 calc GR . . . .
H16B H 0.129968 0.809113 0.468849 0.056 Uiso 1 1 calc GR . . . .
H16C H 0.124509 0.980775 0.442039 0.056 Uiso 1 1 calc GR . . . .
C2 C 0.4527(4) 0.6957(5) 0.47781(19) 0.0334(11) Uani 1 1 d . . . . .
C6 C 0.3429(4) 0.6831(5) 0.55295(18) 0.0318(10) Uani 1 1 d . . . . .
C15 C 0.1762(4) 0.8140(5) 0.39091(19) 0.0320(10) Uani 1 1 d . . . . .
C21 C 0.1410(4) 0.1685(5) 0.65892(19) 0.0376(11) Uani 1 1 d . . . . .
H21 H 0.128014 0.160760 0.696547 0.045 Uiso 1 1 calc R . . . .
C20 C 0.0811(4) 0.2740(5) 0.62315(18) 0.0333(10) Uani 1 1 d . . . . .
H20 H 0.028217 0.338720 0.636459 0.040 Uiso 1 1 calc R . . . .
C4 C 0.5178(4) 0.8204(5) 0.56729(19) 0.0340(11) Uani 1 1 d . . . . .
C24 C 0.1776(4) 0.1919(5) 0.54992(19) 0.0363(11) Uani 1 1 d . . . . .
H24 H 0.191588 0.199047 0.512442 0.044 Uiso 1 1 calc R . . . .
C14 C 0.1464(4) 0.9071(5) 0.3436(2) 0.0375(12) Uani 1 1 d . . . . .
H14 H 0.124601 1.012013 0.348777 0.045 Uiso 1 1 calc R . . . .
C11 C 0.2140(4) 0.6027(5) 0.32862(19) 0.0331(11) Uani 1 1 d . . . . .
C3 C 0.5302(4) 0.7825(5) 0.51339(19) 0.0347(11) Uani 1 1 d . . . . .
H3 H 0.594222 0.816761 0.499714 0.042 Uiso 1 1 calc R . . . .
C10 C 0.2110(4) 0.6590(5) 0.38292(19) 0.0334(11) Uani 1 1 d . . . . .
C13 C 0.1472(4) 0.8544(5) 0.28982(19) 0.0396(12) Uani 1 1 d . . . . .
C8 C 0.4775(4) 0.6521(5) 0.42115(19) 0.0369(11) Uani 1 1 d . . . . .
H8A H 0.470228 0.538586 0.416069 0.055 Uiso 1 1 calc GR . . . .
H8B H 0.552455 0.683841 0.417980 0.055 Uiso 1 1 calc GR . . . .
H8C H 0.426093 0.705385 0.392299 0.055 Uiso 1 1 calc GR . . . .
C7 C 0.2451(4) 0.6329(6) 0.5778(2) 0.0460(13) Uani 1 1 d . . . . .
H7A H 0.240764 0.518333 0.577652 0.069 Uiso 1 1 calc GR . . . .
H7B H 0.178795 0.676081 0.555586 0.069 Uiso 1 1 calc GR . . . .
H7C H 0.251655 0.671296 0.616345 0.069 Uiso 1 1 calc GR . . . .
C12 C 0.1815(4) 0.7007(5) 0.2832(2) 0.0405(12) Uani 1 1 d . . . . .
H12 H 0.182634 0.661865 0.246422 0.049 Uiso 1 1 calc R . . . .
C22 C 0.2194(4) 0.0741(6) 0.6410(2) 0.0426(12) Uani 1 1 d . . . . .
H22 H 0.259967 0.001607 0.665791 0.051 Uiso 1 1 calc R . . . .
C23 C 0.2374(4) 0.0870(5) 0.5867(2) 0.0435(13) Uani 1 1 d . . . . .
H23 H 0.291546 0.023410 0.573958 0.052 Uiso 1 1 calc R . . . .
C9 C 0.6032(4) 0.9134(5) 0.6043(2) 0.0447(13) Uani 1 1 d . . . . .
H9A H 0.604952 1.020372 0.589772 0.067 Uiso 1 1 calc GR . . . .
H9B H 0.674916 0.864272 0.604778 0.067 Uiso 1 1 calc GR . . . .
H9C H 0.585347 0.916282 0.642374 0.067 Uiso 1 1 calc GR . . . .
C18 C 0.2525(4) 0.4396(5) 0.3172(2) 0.0421(12) Uani 1 1 d . . . . .
H18A H 0.325204 0.421943 0.338963 0.063 Uiso 1 1 calc GR . . . .
H18B H 0.256377 0.428569 0.277235 0.063 Uiso 1 1 calc GR . . . .
H18C H 0.200966 0.362650 0.328141 0.063 Uiso 1 1 calc GR . . . .
C17 C 0.1136(5) 0.9583(6) 0.2404(2) 0.0585(16) Uani 1 1 d . . . . .
H17A H 0.040202 0.928847 0.222061 0.088 Uiso 1 1 calc GR . . . .
H17B H 0.165618 0.946700 0.213944 0.088 Uiso 1 1 calc GR . . . .
H17C H 0.113087 1.067379 0.252918 0.088 Uiso 1 1 calc GR . . . .


_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
As Ge 2.4316(7) . ?
As C1 1.976(4) . ?
As C10 1.979(4) . ?
Ge Ge 2.7523(10) 3_566 ?
Ge Cl 2.1992(12) . ?
Ge N 1.853(3) 3_566 ?
Ge N 1.842(4) . ?
N C19 1.396(5) . ?
C5 C6 1.406(6) . ?
C5 C4 1.375(6) . ?
C19 C20 1.403(6) . ?
C19 C24 1.382(6) . ?
C1 C2 1.417(6) . ?
C1 C6 1.384(6) . ?
C16 C15 1.505(6) . ?
C2 C3 1.398(6) . ?
C2 C8 1.496(6) . ?
C6 C7 1.493(6) . ?
C15 C14 1.394(6) . ?
C15 C10 1.414(6) . ?
C21 C20 1.382(5) . ?
C21 C22 1.381(6) . ?
C4 C3 1.374(6) . ?
C4 C9 1.501(6) . ?
C24 C23 1.392(6) . ?
C14 C13 1.377(6) . ?
C11 C10 1.404(6) . ?
C11 C12 1.390(6) . ?
C11 C18 1.510(6) . ?
C13 C12 1.397(6) . ?
C13 C17 1.493(6) . ?
C22 C23 1.368(7) . ?

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 As Ge 115.16(14) . . ?
C1 As C10 102.20(18) . . ?
C10 As Ge 92.11(14) . . ?
As Ge Ge 149.66(3) . 3_566 ?
Cl Ge As 94.62(4) . . ?
Cl Ge Ge 115.33(4) . 3_566 ?
N Ge As 126.16(11) . . ?
N Ge As 134.06(11) 3_566 . ?
N Ge Ge 42.00(10) . 3_566 ?
N Ge Ge 41.70(11) 3_566 3_566 ?
N Ge Cl 109.29(11) 3_566 . ?
N Ge Cl 107.88(11) . . ?
N Ge N 83.71(16) . 3_566 ?
Ge N Ge 96.29(15) . 3_566 ?
C19 N Ge 128.9(3) . . ?
C19 N Ge 133.2(3) . 3_566 ?
C4 C5 C6 122.5(4) . . ?
N C19 C20 122.1(4) . . ?
C24 C19 N 119.9(4) . . ?
C24 C19 C20 118.0(4) . . ?
C2 C1 As 112.3(3) . . ?
C6 C1 As 126.6(4) . . ?
C6 C1 C2 120.5(4) . . ?
C1 C2 C8 123.7(4) . . ?
C3 C2 C1 117.8(4) . . ?
C3 C2 C8 118.5(4) . . ?
C5 C6 C7 118.4(4) . . ?
C1 C6 C5 118.5(4) . . ?
C1 C6 C7 123.1(4) . . ?
C14 C15 C16 118.0(4) . . ?
C14 C15 C10 118.0(4) . . ?
C10 C15 C16 124.1(4) . . ?
C22 C21 C20 121.2(5) . . ?
C21 C20 C19 120.2(4) . . ?
C5 C4 C9 120.9(4) . . ?
C3 C4 C5 117.9(4) . . ?
C3 C4 C9 121.2(4) . . ?
C19 C24 C23 120.8(4) . . ?
C13 C14 C15 123.3(4) . . ?
C10 C11 C18 122.8(4) . . ?
C12 C11 C10 119.1(4) . . ?
C12 C11 C18 118.2(4) . . ?
C4 C3 C2 122.8(4) . . ?
C15 C10 As 123.5(3) . . ?
C11 C10 As 116.3(3) . . ?
C11 C10 C15 120.1(4) . . ?
C14 C13 C12 117.5(4) . . ?
C14 C13 C17 121.3(4) . . ?
C12 C13 C17 121.2(5) . . ?
C11 C12 C13 122.1(4) . . ?
C23 C22 C21 118.7(4) . . ?
C22 C23 C24 121.0(5) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.500 -0.846 0.250 214.1 47.0 ?
2 0.500 -0.430 0.750 214.1 47.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
