# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
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# Crystallographic Data Centre (CCDC).
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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data_mo_lmsee025_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2175981'
loop_
_audit_author_name
_audit_author_address
'Lutz Greb'
;Universitaet Heidelberg
Germany
;
_audit_update_record             
;
2022-05-31 deposited with the CCDC.	2022-09-07 downloaded from the CCDC.
;
_audit_creation_date             2022-05-12
_audit_creation_method           
;
FinalCif V104 by Daniel Kratzert, Freiburg 2022,
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C60 H68 Ga N4 P'
_chemical_formula_moiety         'C36 H48 Ga N4, C24 H20 P'
_chemical_formula_weight         945.87
_chemical_melting_point          ?
_exptl_crystal_colour_primary    colourless
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C20_1) = Uanis(C20A_1)
3. Others
 Sof(C21A)=Sof(H21D)=Sof(H21E)=Sof(H21F)=Sof(C20A)=Sof(H20C)=Sof(H20D)=1-FVAR(1)
 Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C20A(H20C,H20D), C23(H23A,H23B), C25(H25A,H25B), C27(H27A,
 H27B), C29(H29A,H29B), C31(H31A,H31B), C33(H33A,H33B), C35(H35A,H35B)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C7(H7), C12(H12), C13(H13), C17(H17), C18(H18),
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24)
4.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C21A(H21D,H21E,H21F), C24(H24A,H24B,H24C), C26(H26A,H26B,
 H26C), C28(H28A,H28B,H28C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C34(H34A,
 H34B,H34C), C36(H36A,H36B,H36C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.5827(6)
_cell_length_b                   15.4151(5)
_cell_length_c                   27.0610(12)
_cell_angle_alpha                90
_cell_angle_beta                 90.708(2)
_cell_angle_gamma                90
_cell_volume                     4831.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5579
_cell_measurement_theta_min      2.68
_cell_measurement_theta_max      28.49
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.231
_exptl_crystal_size_mid          0.182
_exptl_crystal_size_min          0.113
_exptl_absorpt_coefficient_mu    0.648
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6526
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0923 before and 0.0519 after correction. The Ratio of minimum to maximum transmission is 0.8750. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100.0
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            38808
_diffrn_reflns_av_unetI/netI     0.0785
_diffrn_reflns_av_R_equivalents  0.0785
_diffrn_reflns_theta_min         2.199
_diffrn_reflns_theta_max         28.805
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_standards_number         0
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             12354
_reflns_number_gt                9270
_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       
'Bruker BIS V6.2.15/2021-03-15 && APEX4 2021.10-0'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_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)+(0.0602P)²+2.8369P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         12354
_refine_ls_number_parameters     617
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0791
_refine_ls_R_factor_gt           0.0547
_refine_ls_wR_factor_ref         0.1368
_refine_ls_wR_factor_gt          0.1224
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.629
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

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'
Ga Ga 0.2307 1.6083 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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
Ga1_1 Ga 0.53697(2) 0.22125(2) 0.36218(2) 0.01003(8) Uani 1 1 d . . . . .
N1_1 N 0.55897(17) 0.15092(13) 0.30294(7) 0.0121(4) Uani 1 1 d . . . . .
C1_1 C 0.6642(2) 0.13150(15) 0.28100(9) 0.0120(5) Uani 1 1 d . . . . .
N2_1 N 0.51555(18) 0.29513(12) 0.41954(7) 0.0114(4) Uani 1 1 d . . . . .
C2_1 C 0.6438(2) 0.08150(15) 0.23961(9) 0.0142(5) Uani 1 1 d . . . . .
H2_1 H 0.700173 0.060379 0.217440 0.017 Uiso 1 1 calc R . . . .
N3_1 N 0.69064(18) 0.19055(13) 0.38585(7) 0.0132(4) Uani 1 1 d . . . . .
C3_1 C 0.5226(2) 0.06739(15) 0.23625(9) 0.0141(5) Uani 1 1 d . . . . .
H3_1 H 0.483450 0.034136 0.211702 0.017 Uiso 1 1 calc R . . . .
N4_1 N 0.38255(18) 0.25189(14) 0.33771(7) 0.0145(4) Uani 1 1 d . . . . .
C4_1 C 0.4724(2) 0.11050(15) 0.27488(9) 0.0130(5) Uani 1 1 d . . . . .
C5_1 C 0.4449(2) 0.36810(15) 0.42150(9) 0.0115(4) Uani 1 1 d . . . . .
C6_1 C 0.4593(2) 0.40695(15) 0.46694(9) 0.0142(5) Uani 1 1 d . . . . .
H6_1 H 0.422638 0.458516 0.477832 0.017 Uiso 1 1 calc R . . . .
C7_1 C 0.5394(2) 0.35567(15) 0.49468(9) 0.0141(5) Uani 1 1 d . . . . .
H7_1 H 0.564697 0.365939 0.527699 0.017 Uiso 1 1 calc R . . . .
C8_1 C 0.5731(2) 0.28874(15) 0.46477(9) 0.0125(5) Uani 1 1 d . . . . .
C9_1 C 0.7757(2) 0.16950(15) 0.30108(9) 0.0124(5) Uani 1 1 d . . . . .
C10_1 C 0.7821(2) 0.16263(16) 0.35679(9) 0.0149(5) Uani 1 1 d . . . . .
C11_1 C 0.7303(2) 0.19197(16) 0.43472(9) 0.0138(5) Uani 1 1 d . . . . .
C12_1 C 0.8431(2) 0.16387(17) 0.43622(10) 0.0186(5) Uani 1 1 d . . . . .
H12_1 H 0.890180 0.157598 0.465001 0.022 Uiso 1 1 calc R . . . .
C13_1 C 0.8763(2) 0.14594(17) 0.38690(10) 0.0186(5) Uani 1 1 d . . . . .
H13_1 H 0.949870 0.126123 0.376588 0.022 Uiso 1 1 calc R . . . .
C14_1 C 0.3476(2) 0.11192(16) 0.29024(9) 0.0143(5) Uani 1 1 d . . . . .
C15_1 C 0.3111(2) 0.20009(17) 0.30790(9) 0.0169(5) Uani 1 1 d . . . . .
C16_1 C 0.3209(2) 0.32646(17) 0.34900(9) 0.0174(5) Uani 1 1 d . . . . .
C17_1 C 0.2136(2) 0.3223(2) 0.32668(10) 0.0259(6) Uani 1 1 d . . . . .
H17_1 H 0.154916 0.365237 0.328042 0.031 Uiso 1 1 calc R . . . .
C18_1 C 0.2068(2) 0.2416(2) 0.30118(11) 0.0261(6) Uani 1 1 d . . . . .
H18_1 H 0.142270 0.220406 0.282882 0.031 Uiso 1 1 calc R . . . .
C19_1 C 0.3759(2) 0.40040(15) 0.37737(9) 0.0132(5) Uani 1 1 d . . . . .
C20_1 C 0.4548(4) 0.4411(3) 0.33794(16) 0.0128(8) Uani 0.664(6) 1 d . . P A 1
H20A_1 H 0.509135 0.396191 0.326212 0.015 Uiso 0.664(6) 1 calc R . P A 1
H20B_1 H 0.406532 0.459307 0.309339 0.015 Uiso 0.664(6) 1 calc R . P A 1
C21_1 C 0.5239(4) 0.5187(3) 0.35621(15) 0.0213(10) Uani 0.664(6) 1 d . . P A 1
H21A_1 H 0.575933 0.538200 0.330166 0.032 Uiso 0.664(6) 1 calc GR . P A 1
H21B_1 H 0.569271 0.502184 0.385523 0.032 Uiso 0.664(6) 1 calc GR . P A 1
H21C_1 H 0.471035 0.565918 0.364718 0.032 Uiso 0.664(6) 1 calc GR . P A 1
C21A_1 C 0.5718(7) 0.4299(5) 0.3317(3) 0.0180(18) Uani 0.336(6) 1 d . . P A 2
H21D_1 H 0.552620 0.381743 0.309363 0.027 Uiso 0.336(6) 1 calc GR . P A 2
H21E_1 H 0.617659 0.408081 0.359681 0.027 Uiso 0.336(6) 1 calc GR . P A 2
H21F_1 H 0.616414 0.473553 0.313783 0.027 Uiso 0.336(6) 1 calc GR . P A 2
C20A_1 C 0.4629(9) 0.4700(6) 0.3502(4) 0.0128(8) Uani 0.336(6) 1 d . . P A 2
H20C_1 H 0.421129 0.497132 0.322036 0.015 Uiso 0.336(6) 1 calc R . P A 2
H20D_1 H 0.483184 0.516509 0.373965 0.015 Uiso 0.336(6) 1 calc R . P A 2
C22_1 C 0.6508(2) 0.21215(15) 0.47716(9) 0.0126(5) Uani 1 1 d . . . . .
C23_1 C 0.7214(2) 0.23067(16) 0.52476(9) 0.0170(5) Uani 1 1 d . . . . .
H23A_1 H 0.666204 0.240833 0.551803 0.020 Uiso 1 1 calc R . . . .
H23B_1 H 0.765429 0.177570 0.533232 0.020 Uiso 1 1 calc R . . . .
C24_1 C 0.8065(2) 0.30694(18) 0.52421(10) 0.0221(6) Uani 1 1 d . . . . .
H24A_1 H 0.866783 0.295626 0.499958 0.033 Uiso 1 1 calc GR . . . .
H24B_1 H 0.841817 0.313658 0.557076 0.033 Uiso 1 1 calc GR . . . .
H24C_1 H 0.765169 0.360261 0.515241 0.033 Uiso 1 1 calc GR . . . .
C25_1 C 0.8803(2) 0.12413(16) 0.27748(10) 0.0166(5) Uani 1 1 d . . . . .
H25A_1 H 0.874678 0.132801 0.241277 0.020 Uiso 1 1 calc R . . . .
H25B_1 H 0.951000 0.154433 0.289076 0.020 Uiso 1 1 calc R . . . .
C26_1 C 0.8971(2) 0.02731(17) 0.28697(11) 0.0220(6) Uani 1 1 d . . . . .
H26A_1 H 0.964202 0.006605 0.268707 0.033 Uiso 1 1 calc GR . . . .
H26B_1 H 0.828040 -0.004298 0.275900 0.033 Uiso 1 1 calc GR . . . .
H26C_1 H 0.909683 0.017456 0.322406 0.033 Uiso 1 1 calc GR . . . .
C27_1 C 0.7790(2) 0.26734(16) 0.28623(9) 0.0160(5) Uani 1 1 d . . . . .
H27A_1 H 0.787130 0.270980 0.249909 0.019 Uiso 1 1 calc R . . . .
H27B_1 H 0.703851 0.293730 0.294612 0.019 Uiso 1 1 calc R . . . .
C28_1 C 0.8750(3) 0.32185(18) 0.31026(11) 0.0238(6) Uani 1 1 d . . . . .
H28A_1 H 0.869888 0.381669 0.298168 0.036 Uiso 1 1 calc GR . . . .
H28B_1 H 0.950356 0.297457 0.301760 0.036 Uiso 1 1 calc GR . . . .
H28C_1 H 0.866275 0.321300 0.346236 0.036 Uiso 1 1 calc GR . . . .
C29_1 C 0.2688(2) 0.08384(17) 0.24614(9) 0.0176(5) Uani 1 1 d . . . . .
H29A_1 H 0.291565 0.024472 0.236280 0.021 Uiso 1 1 calc R . . . .
H29B_1 H 0.188463 0.080648 0.258069 0.021 Uiso 1 1 calc R . . . .
C30_1 C 0.2694(2) 0.14080(17) 0.20016(10) 0.0188(5) Uani 1 1 d . . . . .
H30A_1 H 0.348040 0.144190 0.187348 0.028 Uiso 1 1 calc GR . . . .
H30B_1 H 0.242504 0.199149 0.208630 0.028 Uiso 1 1 calc GR . . . .
H30C_1 H 0.218033 0.115707 0.174910 0.028 Uiso 1 1 calc GR . . . .
C31_1 C 0.3257(2) 0.04330(18) 0.33141(9) 0.0192(5) Uani 1 1 d . . . . .
H31A_1 H 0.242184 0.043651 0.338828 0.023 Uiso 1 1 calc R . . . .
H31B_1 H 0.344168 -0.014630 0.317845 0.023 Uiso 1 1 calc R . . . .
C32_1 C 0.3923(2) 0.05417(19) 0.38002(10) 0.0226(6) Uani 1 1 d . . . . .
H32A_1 H 0.475346 0.051370 0.373769 0.034 Uiso 1 1 calc GR . . . .
H32B_1 H 0.370844 0.007659 0.402829 0.034 Uiso 1 1 calc GR . . . .
H32C_1 H 0.373397 0.110465 0.394684 0.034 Uiso 1 1 calc GR . . . .
C33_1 C 0.2815(2) 0.46432(16) 0.39423(9) 0.0166(5) Uani 1 1 d . . . . .
H33A_1 H 0.319913 0.514623 0.410168 0.020 Uiso 1 1 calc R . . . .
H33B_1 H 0.240215 0.486106 0.364486 0.020 Uiso 1 1 calc R . . . .
C34_1 C 0.1924(2) 0.42835(18) 0.42987(10) 0.0206(5) Uani 1 1 d . . . . .
H34A_1 H 0.143965 0.385468 0.412716 0.031 Uiso 1 1 calc GR . . . .
H34B_1 H 0.143860 0.475799 0.441863 0.031 Uiso 1 1 calc GR . . . .
H34C_1 H 0.232017 0.400691 0.457924 0.031 Uiso 1 1 calc GR . . . .
C35_1 C 0.5752(2) 0.12964(16) 0.48649(9) 0.0157(5) Uani 1 1 d . . . . .
H35A_1 H 0.540561 0.111357 0.454518 0.019 Uiso 1 1 calc R . . . .
H35B_1 H 0.626804 0.082292 0.497842 0.019 Uiso 1 1 calc R . . . .
C36_1 C 0.4783(3) 0.13912(18) 0.52376(11) 0.0263(6) Uani 1 1 d . . . . .
H36A_1 H 0.427235 0.186756 0.513631 0.039 Uiso 1 1 calc GR . . . .
H36B_1 H 0.511448 0.151648 0.556482 0.039 Uiso 1 1 calc GR . . . .
H36C_1 H 0.433993 0.085031 0.525116 0.039 Uiso 1 1 calc GR . . . .
P1_2 P 0.16808(6) 0.22942(4) 0.59710(2) 0.01373(13) Uani 1 1 d . . . . .
C1_2 C 0.1610(2) 0.17457(16) 0.53837(9) 0.0162(5) Uani 1 1 d . . . . .
C2_2 C 0.1540(3) 0.22198(18) 0.49446(10) 0.0217(6) Uani 1 1 d . . . . .
H2_2 H 0.153085 0.283580 0.495332 0.026 Uiso 1 1 calc R . . . .
C3_2 C 0.1484(3) 0.17852(19) 0.44939(10) 0.0243(6) Uani 1 1 d . . . . .
H3_2 H 0.145590 0.210615 0.419427 0.029 Uiso 1 1 calc R . . . .
C4_2 C 0.1470(2) 0.08920(18) 0.44805(10) 0.0207(5) Uani 1 1 d . . . . .
H4_2 H 0.141819 0.059949 0.417204 0.025 Uiso 1 1 calc R . . . .
C5_2 C 0.1532(3) 0.04180(18) 0.49155(10) 0.0235(6) Uani 1 1 d . . . . .
H5_2 H 0.151827 -0.019780 0.490365 0.028 Uiso 1 1 calc R . . . .
C6_2 C 0.1612(3) 0.08385(18) 0.53685(10) 0.0225(6) Uani 1 1 d . . . . .
H6_2 H 0.166898 0.051259 0.566571 0.027 Uiso 1 1 calc R . . . .
C7_2 C 0.0485(2) 0.19439(16) 0.63328(9) 0.0146(5) Uani 1 1 d . . . . .
C8_2 C -0.0478(2) 0.15604(17) 0.61110(9) 0.0180(5) Uani 1 1 d . . . . .
H8_2 H -0.050314 0.147252 0.576357 0.022 Uiso 1 1 calc R . . . .
C9_2 C -0.1405(2) 0.13062(17) 0.63997(10) 0.0202(5) Uani 1 1 d . . . . .
H9_2 H -0.206403 0.104505 0.624934 0.024 Uiso 1 1 calc R . . . .
C10_2 C -0.1366(2) 0.14348(16) 0.69087(10) 0.0188(5) Uani 1 1 d . . . . .
H10_2 H -0.199325 0.124959 0.710579 0.023 Uiso 1 1 calc R . . . .
C11_2 C -0.0420(2) 0.18308(16) 0.71293(9) 0.0168(5) Uani 1 1 d . . . . .
H11_2 H -0.040397 0.192760 0.747598 0.020 Uiso 1 1 calc R . . . .
C12_2 C 0.0506(2) 0.20865(16) 0.68430(9) 0.0172(5) Uani 1 1 d . . . . .
H12_2 H 0.115571 0.235905 0.699422 0.021 Uiso 1 1 calc R . . . .
C13_2 C 0.2973(2) 0.20152(16) 0.63088(9) 0.0162(5) Uani 1 1 d . . . . .
C14_2 C 0.3108(2) 0.11688(18) 0.64870(10) 0.0212(6) Uani 1 1 d . . . . .
H14_2 H 0.253642 0.074392 0.641497 0.025 Uiso 1 1 calc R . . . .
C15_2 C 0.4075(2) 0.09460(19) 0.67688(10) 0.0231(6) Uani 1 1 d . . . . .
H15_2 H 0.415903 0.037201 0.689182 0.028 Uiso 1 1 calc R . . . .
C16_2 C 0.4914(2) 0.15624(19) 0.68698(10) 0.0245(6) Uani 1 1 d . . . . .
H16_2 H 0.557562 0.140947 0.706183 0.029 Uiso 1 1 calc R . . . .
C17_2 C 0.4795(2) 0.24026(19) 0.66920(11) 0.0247(6) Uani 1 1 d . . . . .
H17_2 H 0.537575 0.282251 0.676024 0.030 Uiso 1 1 calc R . . . .
C18_2 C 0.3825(2) 0.26280(18) 0.64142(10) 0.0211(5) Uani 1 1 d . . . . .
H18_2 H 0.374227 0.320451 0.629500 0.025 Uiso 1 1 calc R . . . .
C19_2 C 0.1629(2) 0.34534(16) 0.58871(9) 0.0162(5) Uani 1 1 d . . . . .
C20_2 C 0.2485(2) 0.38794(17) 0.56197(9) 0.0194(5) Uani 1 1 d . . . . .
H20_2 H 0.307518 0.355684 0.546280 0.023 Uiso 1 1 calc R . . . .
C21_2 C 0.2464(3) 0.47763(18) 0.55853(10) 0.0243(6) Uani 1 1 d . . . . .
H21_2 H 0.303977 0.506811 0.540169 0.029 Uiso 1 1 calc R . . . .
C22_2 C 0.1612(3) 0.52504(18) 0.58161(10) 0.0251(6) Uani 1 1 d . . . . .
H22_2 H 0.160756 0.586528 0.579288 0.030 Uiso 1 1 calc R . . . .
C23_2 C 0.0763(3) 0.48273(18) 0.60816(10) 0.0224(6) Uani 1 1 d . . . . .
H23_2 H 0.017701 0.515438 0.623829 0.027 Uiso 1 1 calc R . . . .
C24_2 C 0.0765(2) 0.39292(17) 0.61198(9) 0.0172(5) Uani 1 1 d . . . . .
H24_2 H 0.018464 0.364102 0.630257 0.021 Uiso 1 1 calc R . . . .


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
Ga1_1 N1_1 1.954(2) . ?
Ga1_1 N2_1 1.944(2) . ?
Ga1_1 N3_1 1.943(2) . ?
Ga1_1 N4_1 1.957(2) . ?
N1_1 C1_1 1.394(3) . ?
N1_1 C4_1 1.397(3) . ?
C1_1 C2_1 1.378(3) . ?
C1_1 C9_1 1.513(3) . ?
N2_1 C5_1 1.392(3) . ?
N2_1 C8_1 1.390(3) . ?
C2_1 C3_1 1.422(4) . ?
N3_1 C10_1 1.396(3) . ?
N3_1 C11_1 1.395(3) . ?
C3_1 C4_1 1.374(3) . ?
N4_1 C15_1 1.399(3) . ?
N4_1 C16_1 1.389(3) . ?
C4_1 C14_1 1.510(3) . ?
C5_1 C6_1 1.376(3) . ?
C5_1 C19_1 1.513(3) . ?
C6_1 C7_1 1.425(3) . ?
C7_1 C8_1 1.371(3) . ?
C8_1 C22_1 1.520(3) . ?
C9_1 C10_1 1.512(3) . ?
C9_1 C25_1 1.545(3) . ?
C9_1 C27_1 1.561(3) . ?
C10_1 C13_1 1.378(3) . ?
C11_1 C12_1 1.377(3) . ?
C11_1 C22_1 1.513(3) . ?
C12_1 C13_1 1.421(4) . ?
C14_1 C15_1 1.503(3) . ?
C14_1 C29_1 1.554(3) . ?
C14_1 C31_1 1.559(4) . ?
C15_1 C18_1 1.377(4) . ?
C16_1 C17_1 1.377(4) . ?
C16_1 C19_1 1.511(4) . ?
C17_1 C18_1 1.423(4) . ?
C19_1 C20_1 1.547(5) . ?
C19_1 C20A_1 1.651(10) . ?
C19_1 C33_1 1.544(3) . ?
C20_1 C21_1 1.519(6) . ?
C21A_1 C20A_1 1.497(13) . ?
C22_1 C23_1 1.543(3) . ?
C22_1 C35_1 1.567(3) . ?
C23_1 C24_1 1.534(4) . ?
C25_1 C26_1 1.526(3) . ?
C27_1 C28_1 1.532(3) . ?
C29_1 C30_1 1.523(4) . ?
C31_1 C32_1 1.526(4) . ?
C33_1 C34_1 1.526(4) . ?
C35_1 C36_1 1.525(4) . ?
P1_2 C1_2 1.801(3) . ?
P1_2 C7_2 1.789(3) . ?
P1_2 C13_2 1.796(3) . ?
P1_2 C19_2 1.802(3) . ?
C1_2 C2_2 1.397(4) . ?
C1_2 C6_2 1.399(4) . ?
C2_2 C3_2 1.392(4) . ?
C3_2 C4_2 1.378(4) . ?
C4_2 C5_2 1.386(4) . ?
C5_2 C6_2 1.389(4) . ?
C7_2 C8_2 1.393(4) . ?
C7_2 C12_2 1.398(3) . ?
C8_2 C9_2 1.392(4) . ?
C9_2 C10_2 1.392(4) . ?
C10_2 C11_2 1.384(4) . ?
C11_2 C12_2 1.388(4) . ?
C13_2 C14_2 1.399(4) . ?
C13_2 C18_2 1.394(4) . ?
C14_2 C15_2 1.390(4) . ?
C15_2 C16_2 1.384(4) . ?
C16_2 C17_2 1.388(4) . ?
C17_2 C18_2 1.388(4) . ?
C19_2 C20_2 1.398(4) . ?
C19_2 C24_2 1.397(4) . ?
C20_2 C21_2 1.386(4) . ?
C21_2 C22_2 1.383(4) . ?
C22_2 C23_2 1.387(4) . ?
C23_2 C24_2 1.388(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
N1_1 Ga1_1 N4_1 89.10(8) . . ?
N2_1 Ga1_1 N1_1 177.82(8) . . ?
N2_1 Ga1_1 N4_1 90.20(8) . . ?
N3_1 Ga1_1 N1_1 90.41(8) . . ?
N3_1 Ga1_1 N2_1 90.28(8) . . ?
N3_1 Ga1_1 N4_1 179.48(9) . . ?
C1_1 N1_1 Ga1_1 126.29(16) . . ?
C1_1 N1_1 C4_1 107.31(19) . . ?
C4_1 N1_1 Ga1_1 126.40(16) . . ?
N1_1 C1_1 C9_1 120.7(2) . . ?
C2_1 C1_1 N1_1 108.9(2) . . ?
C2_1 C1_1 C9_1 130.2(2) . . ?
C5_1 N2_1 Ga1_1 125.79(16) . . ?
C8_1 N2_1 Ga1_1 126.66(16) . . ?
C8_1 N2_1 C5_1 107.41(19) . . ?
C1_1 C2_1 C3_1 107.3(2) . . ?
C10_1 N3_1 Ga1_1 126.04(16) . . ?
C11_1 N3_1 Ga1_1 126.78(17) . . ?
C11_1 N3_1 C10_1 107.2(2) . . ?
C4_1 C3_1 C2_1 107.7(2) . . ?
C15_1 N4_1 Ga1_1 126.09(17) . . ?
C16_1 N4_1 Ga1_1 126.54(17) . . ?
C16_1 N4_1 C15_1 107.3(2) . . ?
N1_1 C4_1 C14_1 121.8(2) . . ?
C3_1 C4_1 N1_1 108.8(2) . . ?
C3_1 C4_1 C14_1 129.2(2) . . ?
N2_1 C5_1 C19_1 122.7(2) . . ?
C6_1 C5_1 N2_1 108.7(2) . . ?
C6_1 C5_1 C19_1 128.2(2) . . ?
C5_1 C6_1 C7_1 107.5(2) . . ?
C8_1 C7_1 C6_1 107.1(2) . . ?
N2_1 C8_1 C22_1 121.7(2) . . ?
C7_1 C8_1 N2_1 109.3(2) . . ?
C7_1 C8_1 C22_1 128.8(2) . . ?
C1_1 C9_1 C25_1 110.31(19) . . ?
C1_1 C9_1 C27_1 107.78(19) . . ?
C10_1 C9_1 C1_1 111.2(2) . . ?
C10_1 C9_1 C25_1 110.6(2) . . ?
C10_1 C9_1 C27_1 108.85(19) . . ?
C25_1 C9_1 C27_1 108.0(2) . . ?
N3_1 C10_1 C9_1 120.8(2) . . ?
C13_1 C10_1 N3_1 109.0(2) . . ?
C13_1 C10_1 C9_1 129.2(2) . . ?
N3_1 C11_1 C22_1 121.8(2) . . ?
C12_1 C11_1 N3_1 108.9(2) . . ?
C12_1 C11_1 C22_1 128.9(2) . . ?
C11_1 C12_1 C13_1 107.5(2) . . ?
C10_1 C13_1 C12_1 107.3(2) . . ?
C4_1 C14_1 C29_1 109.9(2) . . ?
C4_1 C14_1 C31_1 110.6(2) . . ?
C15_1 C14_1 C4_1 112.0(2) . . ?
C15_1 C14_1 C29_1 109.3(2) . . ?
C15_1 C14_1 C31_1 109.7(2) . . ?
C29_1 C14_1 C31_1 105.1(2) . . ?
N4_1 C15_1 C14_1 122.2(2) . . ?
C18_1 C15_1 N4_1 108.8(2) . . ?
C18_1 C15_1 C14_1 128.9(2) . . ?
N4_1 C16_1 C19_1 121.4(2) . . ?
C17_1 C16_1 N4_1 109.2(2) . . ?
C17_1 C16_1 C19_1 129.1(2) . . ?
C16_1 C17_1 C18_1 107.3(2) . . ?
C15_1 C18_1 C17_1 107.4(2) . . ?
C5_1 C19_1 C20_1 111.5(2) . . ?
C5_1 C19_1 C20A_1 104.2(4) . . ?
C5_1 C19_1 C33_1 110.2(2) . . ?
C16_1 C19_1 C5_1 111.6(2) . . ?
C16_1 C19_1 C20_1 101.8(2) . . ?
C16_1 C19_1 C20A_1 121.3(4) . . ?
C16_1 C19_1 C33_1 109.6(2) . . ?
C33_1 C19_1 C20_1 111.8(2) . . ?
C33_1 C19_1 C20A_1 98.9(4) . . ?
C21_1 C20_1 C19_1 114.1(3) . . ?
C21A_1 C20A_1 C19_1 113.7(7) . . ?
C8_1 C22_1 C23_1 110.27(19) . . ?
C8_1 C22_1 C35_1 109.6(2) . . ?
C11_1 C22_1 C8_1 110.89(19) . . ?
C11_1 C22_1 C23_1 110.5(2) . . ?
C11_1 C22_1 C35_1 107.58(19) . . ?
C23_1 C22_1 C35_1 107.88(19) . . ?
C24_1 C23_1 C22_1 117.8(2) . . ?
C26_1 C25_1 C9_1 118.1(2) . . ?
C28_1 C27_1 C9_1 116.1(2) . . ?
C30_1 C29_1 C14_1 117.3(2) . . ?
C32_1 C31_1 C14_1 117.2(2) . . ?
C34_1 C33_1 C19_1 116.2(2) . . ?
C36_1 C35_1 C22_1 116.5(2) . . ?
C1_2 P1_2 C19_2 110.69(12) . . ?
C7_2 P1_2 C1_2 108.31(12) . . ?
C7_2 P1_2 C13_2 107.14(12) . . ?
C7_2 P1_2 C19_2 110.08(12) . . ?
C13_2 P1_2 C1_2 111.43(12) . . ?
C13_2 P1_2 C19_2 109.13(12) . . ?
C2_2 C1_2 P1_2 120.45(19) . . ?
C2_2 C1_2 C6_2 119.9(2) . . ?
C6_2 C1_2 P1_2 119.68(19) . . ?
C3_2 C2_2 C1_2 119.7(2) . . ?
C4_2 C3_2 C2_2 120.3(3) . . ?
C3_2 C4_2 C5_2 120.3(2) . . ?
C4_2 C5_2 C6_2 120.4(3) . . ?
C5_2 C6_2 C1_2 119.5(2) . . ?
C8_2 C7_2 P1_2 120.92(19) . . ?
C8_2 C7_2 C12_2 119.8(2) . . ?
C12_2 C7_2 P1_2 119.3(2) . . ?
C9_2 C8_2 C7_2 119.8(2) . . ?
C8_2 C9_2 C10_2 120.0(2) . . ?
C11_2 C10_2 C9_2 120.3(2) . . ?
C10_2 C11_2 C12_2 119.9(2) . . ?
C11_2 C12_2 C7_2 120.2(2) . . ?
C14_2 C13_2 P1_2 119.2(2) . . ?
C18_2 C13_2 P1_2 121.7(2) . . ?
C18_2 C13_2 C14_2 119.0(2) . . ?
C15_2 C14_2 C13_2 120.4(3) . . ?
C16_2 C15_2 C14_2 119.9(3) . . ?
C15_2 C16_2 C17_2 120.4(3) . . ?
C18_2 C17_2 C16_2 119.9(3) . . ?
C17_2 C18_2 C13_2 120.5(3) . . ?
C20_2 C19_2 P1_2 120.5(2) . . ?
C24_2 C19_2 P1_2 119.1(2) . . ?
C24_2 C19_2 C20_2 120.2(2) . . ?
C21_2 C20_2 C19_2 119.4(2) . . ?
C22_2 C21_2 C20_2 120.6(3) . . ?
C21_2 C22_2 C23_2 120.0(3) . . ?
C22_2 C23_2 C24_2 120.5(3) . . ?
C23_2 C24_2 C19_2 119.4(2) . . ?


_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_mo_lmsnr006_ii_02a
_database_code_depnum_ccdc_archive 'CCDC 2175982'
loop_
_audit_author_name
_audit_author_address
'Lutz Greb'
;Universitaet Heidelberg
Germany
;
_audit_update_record             
;
2022-05-31 deposited with the CCDC.	2022-09-07 downloaded from the CCDC.
;
_audit_creation_date             2020-10-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H32 Ga N4, C24 H20 P, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C52.50 H53 Cl Ga N4 P'
_chemical_formula_weight         876.13
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 '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'
P P 0.1023 0.0942 '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                   25.4110(18)
_cell_length_b                   16.6359(13)
_cell_length_c                   23.7139(18)
_cell_angle_alpha                90
_cell_angle_beta                 107.797(3)
_cell_angle_gamma                90
_cell_volume                     9545.0(12)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9782
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      28.44
_cell_measurement_theta_min      2.18
_shelx_estimated_absorpt_T_max   0.942
_shelx_estimated_absorpt_T_min   0.905
_exptl_absorpt_coefficient_mu    0.704
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6782
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1674 before and 0.0751 after correction.
The Ratio of minimum to maximum transmission is 0.9094.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3672
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
3.00 3.00 -1.00 0.0560
-3.00 -3.00 1.00 0.0560
1.00 -2.00 -1.00 0.0590
-3.00 -2.00 0.00 0.0630
0.00 3.00 1.00 0.0490
3.00 3.00 1.00 0.0490
2.00 3.00 2.00 0.0430
3.00 -1.00 -1.00 0.0760
-3.00 -2.00 -1.00 0.0610
-2.00 1.00 1.00 0.0500
3.00 2.00 2.00 0.0450
-3.00 2.00 2.00 0.0440
3.00 -2.00 -2.00 0.0600
-2.00 -2.00 -3.00 0.0590
2.00 1.00 2.00 0.0380
1.00 1.00 3.00 0.0230
-1.00 -1.00 -3.00 0.0560
1.00 0.00 2.00 0.0320
-1.00 0.00 -2.00 0.0590
0.00 0.00 1.00 0.0250
0.00 0.00 -1.00 0.0430

_exptl_crystal_size_max          0.144
_exptl_crystal_size_mid          0.113
_exptl_crystal_size_min          0.086
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0912
_diffrn_reflns_av_unetI/netI     0.0553
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            141733
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         2.054
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14897
_reflns_number_total             20825
_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_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.470
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.069
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1088
_refine_ls_number_reflns         20825
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0463
_refine_ls_restrained_S_all      1.027
_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)+(0.0517P)²+6.3639P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1083
_refine_ls_wR_factor_ref         0.1219
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C401(H40A,H40B)
2.b Aromatic/amide H refined with riding coordinates:
 C218(H218), C224(H224), C220(H220), C314(H314), C215(H215), C320(H320),
 C8(H8), C221(H221), C12(H12), C223(H223), C318(H318), C302(H302), C7(H7),
 C3(H3), C214(H214), C222(H222), C206(H206), C13(H13), C17(H17), C216(H216),
 C18(H18), C303(H303), C2(H2), C217(H217), C205(H205), C321(H321), C204(H204),
 C323(H323), C322(H322), C315(H315), C324(H324), C118(H118), C312(H312),
 C304(H304), C202(H202), C102(H102), C112(H112), C208(H208), C317(H317),
 C107(H107), C316(H316), C308(H308), C103(H103), C212(H212), C203(H203),
 C108(H108), C117(H117), C306(H306), C305(H305), C309(H309), C209(H209),
 C210(H210), C113(H113), C311(H311), C310(H310), C211(H211)
2.c Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C22(H22A,H22B,H22C), C21(H21A,H21B,H21C), C128(H12A,H12B,
 H12C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C),
 C127(H12D,H12E,H12F), C124(H12G,H12H,H12I), C28(H28A,H28B,H28C), C123(H12J,
 H12K,H12L), C27(H27A,H27B,H27C), C122(H12M,H12N,H12O), C121(H12P,H12Q,H12R),
 C126(H12S,H12T,H12U), C125(H12V,H12W,H12X)
;
_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
Ga1 Ga 0.15865(2) 0.24507(2) 0.66573(2) 0.01951(7) Uani 1 1 d . . . . .
Ga10 Ga 0.31585(2) 0.65201(2) 0.58329(2) 0.02421(8) Uani 1 1 d . . . . .
P301 P 0.44145(3) 0.25036(4) 0.66710(3) 0.02205(15) Uani 1 1 d . . . . .
P201 P 0.05771(3) 0.65067(4) 0.68783(3) 0.02282(15) Uani 1 1 d . . . . .
Cl40 Cl 0.07304(3) 0.00634(5) 0.54177(4) 0.0454(2) Uani 1 1 d . . . . .
Cl1 Cl 0.13528(4) 0.06658(7) 0.46705(4) 0.0569(3) Uani 1 1 d . . . . .
N3 N 0.19867(9) 0.21511(13) 0.74642(9) 0.0200(5) Uani 1 1 d . . . . .
N2 N 0.21347(9) 0.18846(13) 0.63865(9) 0.0188(4) Uani 1 1 d . . . . .
N1 N 0.11845(9) 0.27223(14) 0.58462(9) 0.0214(5) Uani 1 1 d . . . . .
N101 N 0.25320(10) 0.69916(14) 0.52491(10) 0.0265(5) Uani 1 1 d . . . . .
N103 N 0.37839(10) 0.60268(15) 0.64128(11) 0.0288(5) Uani 1 1 d . . . . .
N104 N 0.34639(10) 0.62005(14) 0.52052(10) 0.0268(5) Uani 1 1 d . . . . .
N4 N 0.10571(9) 0.30366(14) 0.69323(10) 0.0236(5) Uani 1 1 d . . . . .
N102 N 0.28623(9) 0.68559(14) 0.64562(10) 0.0264(5) Uani 1 1 d . . . . .
C313 C 0.40956(11) 0.27929(16) 0.72166(12) 0.0229(6) Uani 1 1 d . . . . .
C11 C 0.23205(11) 0.14812(16) 0.76354(11) 0.0213(5) Uani 1 1 d . . . . .
C9 C 0.24096(11) 0.11898(16) 0.66394(11) 0.0208(5) Uani 1 1 d . . . . .
C218 C 0.10757(12) 0.65216(18) 0.59834(12) 0.0278(6) Uani 1 1 d . . . . .
H218 H 0.103706 0.708975 0.597827 0.033 Uiso 1 1 calc R U . . .
C319 C 0.51102(11) 0.28820(16) 0.68722(12) 0.0226(6) Uani 1 1 d . . . . .
C224 C -0.03230(11) 0.54970(17) 0.63907(12) 0.0251(6) Uani 1 1 d . . . . .
H224 H -0.009016 0.520605 0.621716 0.030 Uiso 1 1 calc R U . . .
C10 C 0.23290(11) 0.08387(16) 0.71947(12) 0.0223(6) Uani 1 1 d . . . . .
C220 C -0.04693(12) 0.66044(18) 0.69795(12) 0.0278(6) Uani 1 1 d . . . . .
H220 H -0.033565 0.707118 0.720953 0.033 Uiso 1 1 calc R U . . .
C213 C 0.08969(11) 0.60550(17) 0.63802(11) 0.0237(6) Uani 1 1 d . . . . .
C314 C 0.35334(11) 0.26404(16) 0.71208(12) 0.0255(6) Uani 1 1 d . . . . .
H314 H 0.331663 0.240346 0.676006 0.031 Uiso 1 1 calc R U . . .
C219 C -0.01254(11) 0.61762(16) 0.67301(11) 0.0218(6) Uani 1 1 d . . . . .
C215 C 0.11840(12) 0.48522(19) 0.59984(13) 0.0285(6) Uani 1 1 d . . . . .
H215 H 0.121999 0.428379 0.599852 0.034 Uiso 1 1 calc R U . . .
C4 C 0.14175(11) 0.28553(16) 0.53939(11) 0.0213(5) Uani 1 1 d . . . . .
C320 C 0.55140(11) 0.25168(17) 0.73399(12) 0.0261(6) Uani 1 1 d . . . . .
H320 H 0.542552 0.205948 0.753318 0.031 Uiso 1 1 calc R U . . .
C8 C 0.26955(11) 0.08972(17) 0.62749(12) 0.0232(6) Uani 1 1 d . . . . .
H8 H 0.291462 0.042347 0.633760 0.028 Uiso 1 1 calc R U . . .
C1 C 0.06285(11) 0.29146(17) 0.56354(12) 0.0244(6) Uani 1 1 d . . . . .
C221 C -0.10070(12) 0.63479(18) 0.68913(13) 0.0296(7) Uani 1 1 d . . . . .
H221 H -0.124221 0.663878 0.706181 0.035 Uiso 1 1 calc R U . . .
C26 C 0.20618(12) 0.40449(18) 0.76897(12) 0.0290(6) Uani 1 1 d . . . . .
H26A H 0.208077 0.388995 0.729764 0.044 Uiso 1 1 calc R U . . .
H26B H 0.243665 0.408294 0.796670 0.044 Uiso 1 1 calc R U . . .
H26C H 0.187751 0.456728 0.766309 0.044 Uiso 1 1 calc R U . . .
C12 C 0.25687(11) 0.15199(18) 0.82388(11) 0.0248(6) Uani 1 1 d . . . . .
H12 H 0.281747 0.113692 0.847471 0.030 Uiso 1 1 calc R U . . .
C223 C -0.08615(12) 0.52464(18) 0.63068(13) 0.0286(6) Uani 1 1 d . . . . .
H223 H -0.099729 0.478059 0.607650 0.034 Uiso 1 1 calc R U . . .
C120 C 0.25294(12) 0.60196(18) 0.44378(12) 0.0271(6) Uani 1 1 d . . . . .
C318 C 0.44124(11) 0.31530(18) 0.77445(12) 0.0273(6) Uani 1 1 d . . . . .
H318 H 0.479279 0.326622 0.780940 0.033 Uiso 1 1 calc R U . . .
C119 C 0.31568(12) 0.60140(17) 0.46285(12) 0.0271(6) Uani 1 1 d . . . . .
C302 C 0.38743(11) 0.37285(17) 0.59513(12) 0.0255(6) Uani 1 1 d . . . . .
H302 H 0.392056 0.402014 0.630756 0.031 Uiso 1 1 calc R U . . .
C22 C 0.23264(11) 0.35107(17) 0.58517(12) 0.0241(6) Uani 1 1 d . . . . .
H22A H 0.223598 0.355556 0.622369 0.036 Uiso 1 1 calc R U . . .
H22B H 0.220306 0.399609 0.561392 0.036 Uiso 1 1 calc R U . . .
H22C H 0.272701 0.345089 0.593838 0.036 Uiso 1 1 calc R U . . .
C307 C 0.44412(12) 0.14214(17) 0.66199(12) 0.0283(6) Uani 1 1 d . . . . .
C7 C 0.26031(11) 0.14325(17) 0.57886(11) 0.0229(6) Uani 1 1 d . . . . .
H7 H 0.275444 0.138907 0.546976 0.028 Uiso 1 1 calc R U . . .
C3 C 0.10126(12) 0.31269(18) 0.49068(12) 0.0274(6) Uani 1 1 d . . . . .
H3 H 0.105718 0.326596 0.453552 0.033 Uiso 1 1 calc R U . . .
C214 C 0.09639(11) 0.52229(17) 0.63979(12) 0.0256(6) Uani 1 1 d . . . . .
H214 H 0.085913 0.491235 0.668239 0.031 Uiso 1 1 calc R U . . .
C222 C -0.12022(12) 0.56703(18) 0.65562(13) 0.0284(6) Uani 1 1 d . . . . .
H222 H -0.157111 0.549550 0.649709 0.034 Uiso 1 1 calc R U . . .
C6 C 0.22551(10) 0.20236(16) 0.58637(11) 0.0196(5) Uani 1 1 d . . . . .
C21 C 0.21631(12) 0.27357(18) 0.49152(12) 0.0265(6) Uani 1 1 d . . . . .
H21A H 0.203258 0.322923 0.469021 0.040 Uiso 1 1 calc R U . . .
H21B H 0.197697 0.227086 0.468581 0.040 Uiso 1 1 calc R U . . .
H21C H 0.256323 0.268506 0.499273 0.040 Uiso 1 1 calc R U . . .
C14 C 0.20272(11) 0.26093(16) 0.79647(11) 0.0214(6) Uani 1 1 d . . . . .
C206 C 0.07292(13) 0.60042(19) 0.80350(13) 0.0308(7) Uani 1 1 d . . . . .
H206 H 0.033804 0.597498 0.793448 0.037 Uiso 1 1 calc R U . . .
C101 C 0.23012(12) 0.67410(18) 0.46715(13) 0.0284(6) Uani 1 1 d . . . . .
C111 C 0.37811(12) 0.57082(17) 0.69535(13) 0.0295(6) Uani 1 1 d . . . . .
C13 C 0.23854(11) 0.22338(18) 0.84427(11) 0.0253(6) Uani 1 1 d . . . . .
H13 H 0.249192 0.241960 0.884044 0.030 Uiso 1 1 calc R U . . .
C17 C 0.06628(12) 0.36811(18) 0.75275(13) 0.0287(6) Uani 1 1 d . . . . .
H17 H 0.061136 0.394625 0.786155 0.034 Uiso 1 1 calc R U . . .
C216 C 0.13520(12) 0.53150(19) 0.55974(13) 0.0311(7) Uani 1 1 d . . . . .
H216 H 0.149756 0.505789 0.531967 0.037 Uiso 1 1 calc R U . . .
C18 C 0.02531(12) 0.35370(18) 0.69835(13) 0.0290(6) Uani 1 1 d . . . . .
H18 H -0.012536 0.368464 0.688524 0.035 Uiso 1 1 calc R U . . .
C201 C 0.09793(11) 0.62211(17) 0.76120(12) 0.0257(6) Uani 1 1 d . . . . .
C303 C 0.36437(12) 0.40980(18) 0.54069(13) 0.0294(6) Uani 1 1 d . . . . .
H303 H 0.353490 0.464607 0.538989 0.035 Uiso 1 1 calc R U . . .
C5 C 0.20326(11) 0.27703(16) 0.55043(11) 0.0208(5) Uani 1 1 d . . . . .
C2 C 0.05092(12) 0.31635(19) 0.50584(12) 0.0292(6) Uani 1 1 d . . . . .
H2 H 0.015824 0.332915 0.480649 0.035 Uiso 1 1 calc R U . . .
C128 C 0.23352(12) 0.52472(17) 0.46791(12) 0.0270(6) Uani 1 1 d . . . . .
H12A H 0.247315 0.477468 0.452161 0.041 Uiso 1 1 calc R U . . .
H12B H 0.193034 0.523364 0.455605 0.041 Uiso 1 1 calc R U . . .
H12C H 0.247901 0.524406 0.511256 0.041 Uiso 1 1 calc R U . . .
C217 C 0.13113(12) 0.61408(19) 0.55955(13) 0.0304(7) Uani 1 1 d . . . . .
H217 H 0.144360 0.645015 0.533033 0.036 Uiso 1 1 calc R U . . .
C205 C 0.10572(13) 0.58315(19) 0.86045(13) 0.0351(7) Uani 1 1 d . . . . .
H205 H 0.089076 0.568810 0.889854 0.042 Uiso 1 1 calc R U . . .
C321 C 0.60456(12) 0.28307(18) 0.75182(13) 0.0300(6) Uani 1 1 d . . . . .
H321 H 0.632166 0.259263 0.783946 0.036 Uiso 1 1 calc R U . . .
C301 C 0.40365(11) 0.29317(17) 0.59716(12) 0.0243(6) Uani 1 1 d . . . . .
C19 C 0.04992(11) 0.31445(18) 0.66207(12) 0.0268(6) Uani 1 1 d . . . . .
C204 C 0.16261(13) 0.58666(19) 0.87471(13) 0.0351(7) Uani 1 1 d . . . . .
H204 H 0.184892 0.574735 0.913916 0.042 Uiso 1 1 calc R U . . .
C23 C 0.17672(12) 0.03912(18) 0.70359(13) 0.0291(6) Uani 1 1 d . . . . .
H23A H 0.171875 0.015351 0.739488 0.044 Uiso 1 1 calc R U . . .
H23B H 0.176121 -0.003463 0.674839 0.044 Uiso 1 1 calc R U . . .
H23C H 0.146659 0.077188 0.686391 0.044 Uiso 1 1 calc R U . . .
C323 C 0.57738(12) 0.38485(19) 0.67673(14) 0.0325(7) Uani 1 1 d . . . . .
H323 H 0.586551 0.430037 0.657086 0.039 Uiso 1 1 calc R U . . .
C109 C 0.29569(12) 0.64971(18) 0.70057(13) 0.0294(6) Uani 1 1 d . . . . .
C110 C 0.32596(13) 0.57047(18) 0.71346(13) 0.0314(7) Uani 1 1 d . . . . .
C322 C 0.61747(12) 0.34903(18) 0.72290(13) 0.0299(6) Uani 1 1 d . . . . .
H322 H 0.654062 0.369740 0.734877 0.036 Uiso 1 1 calc R U . . .
C15 C 0.17314(12) 0.34057(17) 0.79129(12) 0.0247(6) Uani 1 1 d . . . . .
C315 C 0.32962(12) 0.28365(18) 0.75540(13) 0.0296(6) Uani 1 1 d . . . . .
H315 H 0.291472 0.273386 0.749095 0.036 Uiso 1 1 calc R U . . .
C106 C 0.25419(11) 0.75366(18) 0.64456(13) 0.0296(6) Uani 1 1 d . . . . .
C16 C 0.11509(12) 0.33677(17) 0.74867(12) 0.0247(6) Uani 1 1 d . . . . .
C324 C 0.52391(12) 0.35516(18) 0.65896(13) 0.0286(6) Uani 1 1 d . . . . .
H324 H 0.496225 0.380383 0.627662 0.034 Uiso 1 1 calc R U . . .
C104 C 0.22200(12) 0.76282(17) 0.53440(14) 0.0305(7) Uani 1 1 d . . . . .
C118 C 0.35093(13) 0.57553(19) 0.43291(14) 0.0336(7) Uani 1 1 d . . . . .
H118 H 0.340712 0.558474 0.392783 0.040 Uiso 1 1 calc R U . . .
C24 C 0.27876(13) 0.02295(18) 0.74638(13) 0.0310(7) Uani 1 1 d . . . . .
H24A H 0.314552 0.050513 0.758618 0.046 Uiso 1 1 calc R U . . .
H24B H 0.278877 -0.018217 0.716858 0.046 Uiso 1 1 calc R U . . .
H24C H 0.272246 -0.002508 0.780921 0.046 Uiso 1 1 calc R U . . .
C114 C 0.43042(12) 0.58916(18) 0.63554(14) 0.0321(7) Uani 1 1 d . . . . .
C116 C 0.40135(12) 0.60592(18) 0.52613(14) 0.0310(7) Uani 1 1 d . . . . .
C312 C 0.41199(13) 0.09255(18) 0.68510(14) 0.0348(7) Uani 1 1 d . . . . .
H312 H 0.388891 0.114919 0.705878 0.042 Uiso 1 1 calc R U . . .
C304 C 0.35719(12) 0.36693(19) 0.48890(13) 0.0332(7) Uani 1 1 d . . . . .
H304 H 0.341907 0.392696 0.451718 0.040 Uiso 1 1 calc R U . . .
C202 C 0.15524(12) 0.6250(2) 0.77553(13) 0.0330(7) Uani 1 1 d . . . . .
H202 H 0.172130 0.639051 0.746270 0.040 Uiso 1 1 calc R U . . .
C102 C 0.18454(13) 0.72036(18) 0.44095(13) 0.0316(7) Uani 1 1 d . . . . .
H102 H 0.160624 0.715303 0.401546 0.038 Uiso 1 1 calc R U . . .
C112 C 0.42881(13) 0.53746(19) 0.72244(14) 0.0370(8) Uani 1 1 d . . . . .
H112 H 0.439759 0.510868 0.759669 0.044 Uiso 1 1 calc R U . . .
C208 C 0.01978(13) 0.79511(19) 0.63300(13) 0.0320(7) Uani 1 1 d . . . . .
H208 H -0.002891 0.763250 0.601691 0.038 Uiso 1 1 calc R U . . .
C317 C 0.41619(12) 0.3342(2) 0.81712(13) 0.0328(7) Uani 1 1 d . . . . .
H317 H 0.437314 0.358478 0.853190 0.039 Uiso 1 1 calc R U . . .
C20 C 0.02573(11) 0.27823(19) 0.60176(13) 0.0279(6) Uani 1 1 d . . . . .
C107 C 0.24406(12) 0.7603(2) 0.69792(14) 0.0359(7) Uani 1 1 d . . . . .
H107 H 0.223545 0.801676 0.709256 0.043 Uiso 1 1 calc R U . . .
C316 C 0.36097(12) 0.31808(19) 0.80780(13) 0.0314(7) Uani 1 1 d . . . . .
H316 H 0.344431 0.330759 0.837617 0.038 Uiso 1 1 calc R U . . .
C207 C 0.05614(12) 0.75839(17) 0.68270(12) 0.0264(6) Uani 1 1 d . . . . .
C25 C 0.17017(13) 0.36618(19) 0.85209(12) 0.0318(7) Uani 1 1 d . . . . .
H25A H 0.151411 0.418240 0.848748 0.048 Uiso 1 1 calc R U . . .
H25B H 0.207660 0.370861 0.879658 0.048 Uiso 1 1 calc R U . . .
H25C H 0.149519 0.325872 0.866881 0.048 Uiso 1 1 calc R U . . .
C105 C 0.24032(13) 0.80964(18) 0.59160(14) 0.0330(7) Uani 1 1 d . . . . .
C308 C 0.47886(14) 0.10934(19) 0.63217(13) 0.0371(7) Uani 1 1 d . . . . .
H308 H 0.501742 0.143153 0.617364 0.045 Uiso 1 1 calc R U . . .
C103 C 0.17978(13) 0.77734(19) 0.48383(14) 0.0338(7) Uani 1 1 d . . . . .
H103 H 0.152351 0.817898 0.478299 0.041 Uiso 1 1 calc R U . . .
C127 C 0.23046(13) 0.6004(2) 0.37588(12) 0.0348(7) Uani 1 1 d . . . . .
H12D H 0.244162 0.647386 0.359739 0.052 Uiso 1 1 calc R U . . .
H12E H 0.189974 0.601549 0.363521 0.052 Uiso 1 1 calc R U . . .
H12F H 0.242898 0.551237 0.361039 0.052 Uiso 1 1 calc R U . . .
C212 C 0.08807(13) 0.80583(19) 0.72878(13) 0.0336(7) Uani 1 1 d . . . . .
H212 H 0.112686 0.781346 0.762901 0.040 Uiso 1 1 calc R U . . .
C203 C 0.18729(13) 0.6074(2) 0.83230(13) 0.0356(7) Uani 1 1 d . . . . .
H203 H 0.226432 0.609557 0.842372 0.043 Uiso 1 1 calc R U . . .
C108 C 0.27006(13) 0.6937(2) 0.73315(14) 0.0359(7) Uani 1 1 d . . . . .
H108 H 0.269655 0.682017 0.772224 0.043 Uiso 1 1 calc R U . . .
C117 C 0.40552(13) 0.57884(19) 0.47280(14) 0.0357(7) Uani 1 1 d . . . . .
H117 H 0.438571 0.565007 0.464290 0.043 Uiso 1 1 calc R U . . .
C306 C 0.39571(13) 0.24944(18) 0.54482(13) 0.0312(7) Uani 1 1 d . . . . .
H306 H 0.406373 0.194563 0.546219 0.037 Uiso 1 1 calc R U . . .
C305 C 0.37206(13) 0.2872(2) 0.49089(13) 0.0357(7) Uani 1 1 d . . . . .
H305 H 0.366092 0.257918 0.455103 0.043 Uiso 1 1 calc R U . . .
C401 C 0.12231(13) 0.0773(2) 0.53493(13) 0.0337(7) Uani 1 1 d . . . . .
H40A H 0.108501 0.132244 0.538042 0.040 Uiso 1 1 calc R U . . .
H40B H 0.157125 0.069809 0.567632 0.040 Uiso 1 1 calc R U . . .
C309 C 0.47938(16) 0.0262(2) 0.62454(15) 0.0467(9) Uani 1 1 d . . . . .
H309 H 0.502292 0.003063 0.603848 0.056 Uiso 1 1 calc R U . . .
C209 C 0.01692(14) 0.8781(2) 0.62956(15) 0.0382(8) Uani 1 1 d . . . . .
H209 H -0.007116 0.903196 0.595338 0.046 Uiso 1 1 calc R U . . .
C210 C 0.04884(14) 0.9248(2) 0.67561(15) 0.0409(8) Uani 1 1 d . . . . .
H210 H 0.046446 0.981747 0.673135 0.049 Uiso 1 1 calc R U . . .
C124 C 0.28716(14) 0.50319(19) 0.67872(14) 0.0388(8) Uani 1 1 d . . . . .
H12G H 0.278680 0.512820 0.636103 0.058 Uiso 1 1 calc R U . . .
H12H H 0.252811 0.503291 0.689379 0.058 Uiso 1 1 calc R U . . .
H12I H 0.305466 0.450953 0.688735 0.058 Uiso 1 1 calc R U . . .
C113 C 0.46193(13) 0.5498(2) 0.68484(15) 0.0408(8) Uani 1 1 d . . . . .
H113 H 0.499317 0.533633 0.692529 0.049 Uiso 1 1 calc R U . . .
C311 C 0.41383(14) 0.0098(2) 0.67764(16) 0.0429(8) Uani 1 1 d . . . . .
H311 H 0.392240 -0.024459 0.693877 0.051 Uiso 1 1 calc R U . . .
C310 C 0.44636(15) -0.0227(2) 0.64721(15) 0.0459(9) Uani 1 1 d . . . . .
H310 H 0.446451 -0.079173 0.641471 0.055 Uiso 1 1 calc R U . . .
C28 C -0.03145(12) 0.3148(2) 0.57146(14) 0.0414(8) Uani 1 1 d . . . . .
H28A H -0.027481 0.372357 0.564801 0.062 Uiso 1 1 calc R U . . .
H28B H -0.055113 0.307496 0.596849 0.062 Uiso 1 1 calc R U . . .
H28C H -0.048224 0.288020 0.533393 0.062 Uiso 1 1 calc R U . . .
C123 C 0.34021(15) 0.5513(2) 0.77975(14) 0.0434(8) Uani 1 1 d . . . . .
H12J H 0.359348 0.499451 0.787943 0.065 Uiso 1 1 calc R U . . .
H12K H 0.306133 0.548677 0.790856 0.065 Uiso 1 1 calc R U . . .
H12L H 0.364235 0.593515 0.802770 0.065 Uiso 1 1 calc R U . . .
C27 C 0.01821(13) 0.1865(2) 0.60845(14) 0.0371(7) Uani 1 1 d . . . . .
H27A H 0.002602 0.162289 0.569189 0.056 Uiso 1 1 calc R U . . .
H27B H -0.006881 0.177300 0.632036 0.056 Uiso 1 1 calc R U . . .
H27C H 0.054151 0.161922 0.628356 0.056 Uiso 1 1 calc R U . . .
C211 C 0.08399(15) 0.8888(2) 0.72493(15) 0.0401(8) Uani 1 1 d . . . . .
H211 H 0.105651 0.921045 0.756623 0.048 Uiso 1 1 calc R U . . .
C115 C 0.44570(12) 0.6240(2) 0.58386(15) 0.0373(8) Uani 1 1 d . . . . .
C122 C 0.19504(15) 0.8683(2) 0.59459(17) 0.0477(9) Uani 1 1 d . . . . .
H12M H 0.161941 0.838190 0.594757 0.072 Uiso 1 1 calc R U . . .
H12N H 0.186121 0.903977 0.560064 0.072 Uiso 1 1 calc R U . . .
H12O H 0.207990 0.900401 0.630867 0.072 Uiso 1 1 calc R U . . .
C121 C 0.29284(14) 0.85916(19) 0.59350(16) 0.0427(8) Uani 1 1 d . . . . .
H12P H 0.305267 0.889248 0.630762 0.064 Uiso 1 1 calc R U . . .
H12Q H 0.284078 0.896784 0.560113 0.064 Uiso 1 1 calc R U . . .
H12R H 0.322235 0.822620 0.590824 0.064 Uiso 1 1 calc R U . . .
C126 C 0.50098(14) 0.5889(3) 0.58171(18) 0.0559(11) Uani 1 1 d . . . . .
H12S H 0.530093 0.602347 0.618384 0.084 Uiso 1 1 calc R U . . .
H12T H 0.510310 0.611557 0.547834 0.084 Uiso 1 1 calc R U . . .
H12U H 0.497807 0.530315 0.577550 0.084 Uiso 1 1 calc R U . . .
C125 C 0.45199(15) 0.7164(2) 0.59160(17) 0.0479(9) Uani 1 1 d . . . . .
H12V H 0.416619 0.739900 0.591618 0.072 Uiso 1 1 calc R U . . .
H12W H 0.463117 0.739191 0.558854 0.072 Uiso 1 1 calc R U . . .
H12X H 0.480216 0.728644 0.629224 0.072 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
Ga1 N3 1.938(2) . ?
Ga1 N2 1.946(2) . ?
Ga1 N1 1.935(2) . ?
Ga1 N4 1.929(2) . ?
Ga10 N101 1.928(2) . ?
Ga10 N103 1.938(2) . ?
Ga10 N104 1.951(2) . ?
Ga10 N102 1.935(2) . ?
P301 C313 1.790(3) . ?
P301 C319 1.798(3) . ?
P301 C307 1.807(3) . ?
P301 C301 1.791(3) . ?
P201 C213 1.791(3) . ?
P201 C219 1.797(3) . ?
P201 C201 1.792(3) . ?
P201 C207 1.796(3) . ?
Cl40 C401 1.764(3) . ?
Cl1 C401 1.748(3) . ?
N3 C11 1.384(3) . ?
N3 C14 1.388(3) . ?
N2 C9 1.388(3) . ?
N2 C6 1.384(3) . ?
N1 C4 1.392(3) . ?
N1 C1 1.384(3) . ?
N101 C101 1.380(4) . ?
N101 C104 1.382(4) . ?
N103 C111 1.389(4) . ?
N103 C114 1.388(4) . ?
N104 C119 1.387(4) . ?
N104 C116 1.382(4) . ?
N4 C19 1.396(3) . ?
N4 C16 1.377(3) . ?
N102 C109 1.386(4) . ?
N102 C106 1.390(4) . ?
C313 C314 1.400(4) . ?
C313 C318 1.399(4) . ?
C11 C10 1.500(4) . ?
C11 C12 1.377(4) . ?
C9 C10 1.511(4) . ?
C9 C8 1.377(4) . ?
C218 H218 0.9500 . ?
C218 C213 1.398(4) . ?
C218 C217 1.394(4) . ?
C319 C320 1.399(4) . ?
C319 C324 1.390(4) . ?
C224 H224 0.9500 . ?
C224 C219 1.389(4) . ?
C224 C223 1.386(4) . ?
C10 C23 1.551(4) . ?
C10 C24 1.529(4) . ?
C220 H220 0.9500 . ?
C220 C219 1.392(4) . ?
C220 C221 1.385(4) . ?
C213 C214 1.394(4) . ?
C314 H314 0.9500 . ?
C314 C315 1.380(4) . ?
C215 H215 0.9500 . ?
C215 C214 1.384(4) . ?
C215 C216 1.388(4) . ?
C4 C3 1.368(4) . ?
C4 C5 1.510(4) . ?
C320 H320 0.9500 . ?
C320 C321 1.388(4) . ?
C8 H8 0.9500 . ?
C8 C7 1.419(4) . ?
C1 C2 1.372(4) . ?
C1 C20 1.511(4) . ?
C221 H221 0.9500 . ?
C221 C222 1.381(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C26 C15 1.545(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.414(4) . ?
C223 H223 0.9500 . ?
C223 C222 1.382(4) . ?
C120 C119 1.519(4) . ?
C120 C101 1.510(4) . ?
C120 C128 1.548(4) . ?
C120 C127 1.535(4) . ?
C318 H318 0.9500 . ?
C318 C317 1.386(4) . ?
C119 C118 1.371(4) . ?
C302 H302 0.9500 . ?
C302 C303 1.388(4) . ?
C302 C301 1.385(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22 C5 1.542(4) . ?
C307 C312 1.386(4) . ?
C307 C308 1.399(4) . ?
C7 H7 0.9500 . ?
C7 C6 1.370(4) . ?
C3 H3 0.9500 . ?
C3 C2 1.432(4) . ?
C214 H214 0.9500 . ?
C222 H222 0.9500 . ?
C6 C5 1.515(4) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C21 C5 1.532(3) . ?
C14 C13 1.369(4) . ?
C14 C15 1.510(4) . ?
C206 H206 0.9500 . ?
C206 C201 1.389(4) . ?
C206 C205 1.383(4) . ?
C101 C102 1.371(4) . ?
C111 C110 1.513(4) . ?
C111 C112 1.369(4) . ?
C13 H13 0.9500 . ?
C17 H17 0.9500 . ?
C17 C18 1.409(4) . ?
C17 C16 1.376(4) . ?
C216 H216 0.9500 . ?
C216 C217 1.378(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.374(4) . ?
C201 C202 1.391(4) . ?
C303 H303 0.9500 . ?
C303 C304 1.383(4) . ?
C2 H2 0.9500 . ?
C128 H12A 0.9800 . ?
C128 H12B 0.9800 . ?
C128 H12C 0.9800 . ?
C217 H217 0.9500 . ?
C205 H205 0.9500 . ?
C205 C204 1.381(4) . ?
C321 H321 0.9500 . ?
C321 C322 1.385(4) . ?
C301 C306 1.399(4) . ?
C19 C20 1.500(4) . ?
C204 H204 0.9500 . ?
C204 C203 1.382(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C323 H323 0.9500 . ?
C323 C322 1.382(4) . ?
C323 C324 1.385(4) . ?
C109 C110 1.510(4) . ?
C109 C108 1.366(4) . ?
C110 C124 1.552(4) . ?
C110 C123 1.535(4) . ?
C322 H322 0.9500 . ?
C15 C16 1.513(4) . ?
C15 C25 1.527(4) . ?
C315 H315 0.9500 . ?
C315 C316 1.379(4) . ?
C106 C107 1.371(4) . ?
C106 C105 1.516(4) . ?
C324 H324 0.9500 . ?
C104 C105 1.509(4) . ?
C104 C103 1.364(4) . ?
C118 H118 0.9500 . ?
C118 C117 1.421(4) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C114 C113 1.365(4) . ?
C114 C115 1.510(5) . ?
C116 C117 1.377(4) . ?
C116 C115 1.514(4) . ?
C312 H312 0.9500 . ?
C312 C311 1.391(4) . ?
C304 H304 0.9500 . ?
C304 C305 1.375(4) . ?
C202 H202 0.9500 . ?
C202 C203 1.375(4) . ?
C102 H102 0.9500 . ?
C102 C103 1.422(4) . ?
C112 H112 0.9500 . ?
C112 C113 1.416(5) . ?
C208 H208 0.9500 . ?
C208 C207 1.397(4) . ?
C208 C209 1.384(4) . ?
C317 H317 0.9500 . ?
C317 C316 1.378(4) . ?
C20 C28 1.536(4) . ?
C20 C27 1.552(4) . ?
C107 H107 0.9500 . ?
C107 C108 1.423(5) . ?
C316 H316 0.9500 . ?
C207 C212 1.390(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C105 C122 1.527(4) . ?
C105 C121 1.557(4) . ?
C308 H308 0.9500 . ?
C308 C309 1.395(5) . ?
C103 H103 0.9500 . ?
C127 H12D 0.9800 . ?
C127 H12E 0.9800 . ?
C127 H12F 0.9800 . ?
C212 H212 0.9500 . ?
C212 C211 1.385(5) . ?
C203 H203 0.9500 . ?
C108 H108 0.9500 . ?
C117 H117 0.9500 . ?
C306 H306 0.9500 . ?
C306 C305 1.387(4) . ?
C305 H305 0.9500 . ?
C401 H40A 0.9900 . ?
C401 H40B 0.9900 . ?
C309 H309 0.9500 . ?
C309 C310 1.389(5) . ?
C209 H209 0.9500 . ?
C209 C210 1.383(5) . ?
C210 H210 0.9500 . ?
C210 C211 1.373(5) . ?
C124 H12G 0.9800 . ?
C124 H12H 0.9800 . ?
C124 H12I 0.9800 . ?
C113 H113 0.9500 . ?
C311 H311 0.9500 . ?
C311 C310 1.364(5) . ?
C310 H310 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C123 H12J 0.9800 . ?
C123 H12K 0.9800 . ?
C123 H12L 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C211 H211 0.9500 . ?
C115 C126 1.537(4) . ?
C115 C125 1.551(5) . ?
C122 H12M 0.9800 . ?
C122 H12N 0.9800 . ?
C122 H12O 0.9800 . ?
C121 H12P 0.9800 . ?
C121 H12Q 0.9800 . ?
C121 H12R 0.9800 . ?
C126 H12S 0.9800 . ?
C126 H12T 0.9800 . ?
C126 H12U 0.9800 . ?
C125 H12V 0.9800 . ?
C125 H12W 0.9800 . ?
C125 H12X 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
N3 Ga1 N2 89.36(9) . . ?
N1 Ga1 N3 178.59(10) . . ?
N1 Ga1 N2 89.93(9) . . ?
N4 Ga1 N3 90.33(9) . . ?
N4 Ga1 N2 178.42(10) . . ?
N4 Ga1 N1 90.41(9) . . ?
N101 Ga10 N103 178.92(11) . . ?
N101 Ga10 N104 89.81(10) . . ?
N101 Ga10 N102 90.14(10) . . ?
N103 Ga10 N104 89.70(10) . . ?
N102 Ga10 N103 90.37(10) . . ?
N102 Ga10 N104 178.95(10) . . ?
C313 P301 C319 109.86(13) . . ?
C313 P301 C307 110.55(13) . . ?
C313 P301 C301 109.23(13) . . ?
C319 P301 C307 108.21(13) . . ?
C301 P301 C319 108.18(13) . . ?
C301 P301 C307 110.77(13) . . ?
C213 P201 C219 111.50(13) . . ?
C213 P201 C201 106.86(13) . . ?
C213 P201 C207 112.30(13) . . ?
C201 P201 C219 110.26(13) . . ?
C201 P201 C207 108.94(13) . . ?
C207 P201 C219 106.97(13) . . ?
C11 N3 Ga1 125.90(17) . . ?
C11 N3 C14 108.2(2) . . ?
C14 N3 Ga1 125.64(18) . . ?
C9 N2 Ga1 125.23(17) . . ?
C6 N2 Ga1 126.23(18) . . ?
C6 N2 C9 107.8(2) . . ?
C4 N1 Ga1 125.67(18) . . ?
C1 N1 Ga1 125.68(17) . . ?
C1 N1 C4 108.2(2) . . ?
C101 N101 Ga10 126.67(19) . . ?
C101 N101 C104 107.6(2) . . ?
C104 N101 Ga10 125.70(19) . . ?
C111 N103 Ga10 125.59(19) . . ?
C114 N103 Ga10 126.7(2) . . ?
C114 N103 C111 107.6(2) . . ?
C119 N104 Ga10 125.33(19) . . ?
C116 N104 Ga10 126.8(2) . . ?
C116 N104 C119 107.7(2) . . ?
C19 N4 Ga1 125.91(18) . . ?
C16 N4 Ga1 126.13(18) . . ?
C16 N4 C19 107.8(2) . . ?
C109 N102 Ga10 126.71(19) . . ?
C109 N102 C106 107.5(2) . . ?
C106 N102 Ga10 125.7(2) . . ?
C314 C313 P301 119.9(2) . . ?
C318 C313 P301 119.9(2) . . ?
C318 C313 C314 120.2(3) . . ?
N3 C11 C10 120.5(2) . . ?
C12 C11 N3 108.2(2) . . ?
C12 C11 C10 131.1(3) . . ?
N2 C9 C10 120.9(2) . . ?
C8 C9 N2 108.4(2) . . ?
C8 C9 C10 130.4(2) . . ?
C213 C218 H218 120.5 . . ?
C217 C218 H218 120.5 . . ?
C217 C218 C213 119.0(3) . . ?
C320 C319 P301 118.8(2) . . ?
C324 C319 P301 120.7(2) . . ?
C324 C319 C320 120.4(3) . . ?
C219 C224 H224 120.2 . . ?
C223 C224 H224 120.2 . . ?
C223 C224 C219 119.6(3) . . ?
C11 C10 C9 111.5(2) . . ?
C11 C10 C23 107.7(2) . . ?
C11 C10 C24 110.7(2) . . ?
C9 C10 C23 109.5(2) . . ?
C9 C10 C24 109.3(2) . . ?
C24 C10 C23 108.1(2) . . ?
C219 C220 H220 120.1 . . ?
C221 C220 H220 120.1 . . ?
C221 C220 C219 119.8(3) . . ?
C218 C213 P201 121.1(2) . . ?
C214 C213 P201 118.2(2) . . ?
C214 C213 C218 120.7(3) . . ?
C313 C314 H314 120.2 . . ?
C315 C314 C313 119.5(3) . . ?
C315 C314 H314 120.2 . . ?
C224 C219 P201 121.6(2) . . ?
C224 C219 C220 120.0(3) . . ?
C220 C219 P201 118.4(2) . . ?
C214 C215 H215 120.2 . . ?
C214 C215 C216 119.7(3) . . ?
C216 C215 H215 120.2 . . ?
N1 C4 C5 120.9(2) . . ?
C3 C4 N1 108.4(2) . . ?
C3 C4 C5 130.5(2) . . ?
C319 C320 H320 120.4 . . ?
C321 C320 C319 119.2(3) . . ?
C321 C320 H320 120.4 . . ?
C9 C8 H8 126.3 . . ?
C9 C8 C7 107.5(2) . . ?
C7 C8 H8 126.3 . . ?
N1 C1 C20 120.3(2) . . ?
C2 C1 N1 108.7(2) . . ?
C2 C1 C20 130.9(3) . . ?
C220 C221 H221 119.9 . . ?
C222 C221 C220 120.2(3) . . ?
C222 C221 H221 119.9 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C15 C26 H26A 109.5 . . ?
C15 C26 H26B 109.5 . . ?
C15 C26 H26C 109.5 . . ?
C11 C12 H12 126.3 . . ?
C11 C12 C13 107.5(2) . . ?
C13 C12 H12 126.3 . . ?
C224 C223 H223 119.8 . . ?
C222 C223 C224 120.4(3) . . ?
C222 C223 H223 119.8 . . ?
C119 C120 C128 108.0(2) . . ?
C119 C120 C127 109.4(2) . . ?
C101 C120 C119 112.4(2) . . ?
C101 C120 C128 108.8(2) . . ?
C101 C120 C127 109.7(2) . . ?
C127 C120 C128 108.4(2) . . ?
C313 C318 H318 120.6 . . ?
C317 C318 C313 118.9(3) . . ?
C317 C318 H318 120.6 . . ?
N104 C119 C120 121.0(2) . . ?
C118 C119 N104 108.7(3) . . ?
C118 C119 C120 129.8(3) . . ?
C303 C302 H302 120.2 . . ?
C301 C302 H302 120.2 . . ?
C301 C302 C303 119.5(3) . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C5 C22 H22A 109.5 . . ?
C5 C22 H22B 109.5 . . ?
C5 C22 H22C 109.5 . . ?
C312 C307 P301 121.8(2) . . ?
C312 C307 C308 120.4(3) . . ?
C308 C307 P301 117.7(2) . . ?
C8 C7 H7 126.3 . . ?
C6 C7 C8 107.3(2) . . ?
C6 C7 H7 126.3 . . ?
C4 C3 H3 126.2 . . ?
C4 C3 C2 107.5(2) . . ?
C2 C3 H3 126.2 . . ?
C213 C214 H214 120.2 . . ?
C215 C214 C213 119.5(3) . . ?
C215 C214 H214 120.2 . . ?
C221 C222 C223 120.1(3) . . ?
C221 C222 H222 120.0 . . ?
C223 C222 H222 120.0 . . ?
N2 C6 C5 119.6(2) . . ?
C7 C6 N2 108.9(2) . . ?
C7 C6 C5 131.3(2) . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C5 C21 H21A 109.5 . . ?
C5 C21 H21B 109.5 . . ?
C5 C21 H21C 109.5 . . ?
N3 C14 C15 120.5(2) . . ?
C13 C14 N3 108.3(2) . . ?
C13 C14 C15 131.0(2) . . ?
C201 C206 H206 120.4 . . ?
C205 C206 H206 120.4 . . ?
C205 C206 C201 119.1(3) . . ?
N101 C101 C120 120.7(2) . . ?
C102 C101 N101 108.9(3) . . ?
C102 C101 C120 130.2(3) . . ?
N103 C111 C110 121.0(3) . . ?
C112 C111 N103 108.5(3) . . ?
C112 C111 C110 130.2(3) . . ?
C12 C13 H13 126.1 . . ?
C14 C13 C12 107.8(2) . . ?
C14 C13 H13 126.1 . . ?
C18 C17 H17 126.2 . . ?
C16 C17 H17 126.2 . . ?
C16 C17 C18 107.5(2) . . ?
C215 C216 H216 119.4 . . ?
C217 C216 C215 121.1(3) . . ?
C217 C216 H216 119.4 . . ?
C17 C18 H18 126.2 . . ?
C19 C18 C17 107.7(3) . . ?
C19 C18 H18 126.2 . . ?
C206 C201 P201 121.3(2) . . ?
C206 C201 C202 120.5(3) . . ?
C202 C201 P201 118.1(2) . . ?
C302 C303 H303 120.0 . . ?
C304 C303 C302 120.1(3) . . ?
C304 C303 H303 120.0 . . ?
C4 C5 C22 108.9(2) . . ?
C4 C5 C6 111.3(2) . . ?
C4 C5 C21 110.3(2) . . ?
C6 C5 C22 108.5(2) . . ?
C6 C5 C21 109.5(2) . . ?
C21 C5 C22 108.2(2) . . ?
C1 C2 C3 107.2(2) . . ?
C1 C2 H2 126.4 . . ?
C3 C2 H2 126.4 . . ?
C120 C128 H12A 109.5 . . ?
C120 C128 H12B 109.5 . . ?
C120 C128 H12C 109.5 . . ?
H12A C128 H12B 109.5 . . ?
H12A C128 H12C 109.5 . . ?
H12B C128 H12C 109.5 . . ?
C218 C217 H217 120.1 . . ?
C216 C217 C218 119.9(3) . . ?
C216 C217 H217 120.1 . . ?
C206 C205 H205 119.9 . . ?
C204 C205 C206 120.2(3) . . ?
C204 C205 H205 119.9 . . ?
C320 C321 H321 119.9 . . ?
C322 C321 C320 120.2(3) . . ?
C322 C321 H321 119.9 . . ?
C302 C301 P301 118.9(2) . . ?
C302 C301 C306 120.4(3) . . ?
C306 C301 P301 120.4(2) . . ?
N4 C19 C20 120.5(2) . . ?
C18 C19 N4 108.2(3) . . ?
C18 C19 C20 131.0(3) . . ?
C205 C204 H204 119.8 . . ?
C205 C204 C203 120.4(3) . . ?
C203 C204 H204 119.8 . . ?
C10 C23 H23A 109.5 . . ?
C10 C23 H23B 109.5 . . ?
C10 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C322 C323 H323 119.9 . . ?
C322 C323 C324 120.3(3) . . ?
C324 C323 H323 119.9 . . ?
N102 C109 C110 119.8(2) . . ?
C108 C109 N102 109.0(3) . . ?
C108 C109 C110 130.9(3) . . ?
C111 C110 C124 108.8(3) . . ?
C111 C110 C123 109.8(3) . . ?
C109 C110 C111 112.1(2) . . ?
C109 C110 C124 108.7(3) . . ?
C109 C110 C123 109.6(3) . . ?
C123 C110 C124 107.9(3) . . ?
C321 C322 H322 119.8 . . ?
C323 C322 C321 120.3(3) . . ?
C323 C322 H322 119.8 . . ?
C14 C15 C26 108.8(2) . . ?
C14 C15 C16 112.2(2) . . ?
C14 C15 C25 109.6(2) . . ?
C16 C15 C26 108.7(2) . . ?
C16 C15 C25 108.8(2) . . ?
C25 C15 C26 108.7(2) . . ?
C314 C315 H315 119.8 . . ?
C316 C315 C314 120.4(3) . . ?
C316 C315 H315 119.8 . . ?
N102 C106 C105 120.1(3) . . ?
C107 C106 N102 108.9(3) . . ?
C107 C106 C105 130.8(3) . . ?
N4 C16 C15 120.2(2) . . ?
C17 C16 N4 108.8(2) . . ?
C17 C16 C15 130.8(3) . . ?
C319 C324 H324 120.2 . . ?
C323 C324 C319 119.5(3) . . ?
C323 C324 H324 120.2 . . ?
N101 C104 C105 120.5(3) . . ?
C103 C104 N101 109.2(3) . . ?
C103 C104 C105 130.0(3) . . ?
C119 C118 H118 126.2 . . ?
C119 C118 C117 107.6(3) . . ?
C117 C118 H118 126.2 . . ?
C10 C24 H24A 109.5 . . ?
C10 C24 H24B 109.5 . . ?
C10 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N103 C114 C115 120.4(3) . . ?
C113 C114 N103 108.7(3) . . ?
C113 C114 C115 130.6(3) . . ?
N104 C116 C115 120.3(3) . . ?
C117 C116 N104 109.1(3) . . ?
C117 C116 C115 130.6(3) . . ?
C307 C312 H312 120.3 . . ?
C307 C312 C311 119.5(3) . . ?
C311 C312 H312 120.3 . . ?
C303 C304 H304 119.8 . . ?
C305 C304 C303 120.4(3) . . ?
C305 C304 H304 119.8 . . ?
C201 C202 H202 120.2 . . ?
C203 C202 C201 119.6(3) . . ?
C203 C202 H202 120.2 . . ?
C101 C102 H102 126.4 . . ?
C101 C102 C103 107.1(3) . . ?
C103 C102 H102 126.4 . . ?
C111 C112 H112 126.2 . . ?
C111 C112 C113 107.5(3) . . ?
C113 C112 H112 126.2 . . ?
C207 C208 H208 120.2 . . ?
C209 C208 H208 120.2 . . ?
C209 C208 C207 119.7(3) . . ?
C318 C317 H317 119.6 . . ?
C316 C317 C318 120.7(3) . . ?
C316 C317 H317 119.6 . . ?
C1 C20 C28 109.6(2) . . ?
C1 C20 C27 108.9(2) . . ?
C19 C20 C1 111.4(2) . . ?
C19 C20 C28 109.9(2) . . ?
C19 C20 C27 109.0(2) . . ?
C28 C20 C27 108.0(3) . . ?
C106 C107 H107 126.4 . . ?
C106 C107 C108 107.1(3) . . ?
C108 C107 H107 126.4 . . ?
C315 C316 H316 119.8 . . ?
C317 C316 C315 120.3(3) . . ?
C317 C316 H316 119.8 . . ?
C208 C207 P201 119.3(2) . . ?
C212 C207 P201 121.2(2) . . ?
C212 C207 C208 119.4(3) . . ?
C15 C25 H25A 109.5 . . ?
C15 C25 H25B 109.5 . . ?
C15 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C106 C105 C122 110.0(3) . . ?
C106 C105 C121 108.7(3) . . ?
C104 C105 C106 110.9(2) . . ?
C104 C105 C122 110.0(3) . . ?
C104 C105 C121 109.0(3) . . ?
C122 C105 C121 108.2(3) . . ?
C307 C308 H308 120.5 . . ?
C309 C308 C307 119.0(3) . . ?
C309 C308 H308 120.5 . . ?
C104 C103 C102 107.1(3) . . ?
C104 C103 H103 126.4 . . ?
C102 C103 H103 126.4 . . ?
C120 C127 H12D 109.5 . . ?
C120 C127 H12E 109.5 . . ?
C120 C127 H12F 109.5 . . ?
H12D C127 H12E 109.5 . . ?
H12D C127 H12F 109.5 . . ?
H12E C127 H12F 109.5 . . ?
C207 C212 H212 120.0 . . ?
C211 C212 C207 120.0(3) . . ?
C211 C212 H212 120.0 . . ?
C204 C203 H203 120.0 . . ?
C202 C203 C204 120.1(3) . . ?
C202 C203 H203 120.0 . . ?
C109 C108 C107 107.6(3) . . ?
C109 C108 H108 126.2 . . ?
C107 C108 H108 126.2 . . ?
C118 C117 H117 126.6 . . ?
C116 C117 C118 106.9(3) . . ?
C116 C117 H117 126.6 . . ?
C301 C306 H306 120.4 . . ?
C305 C306 C301 119.1(3) . . ?
C305 C306 H306 120.4 . . ?
C304 C305 C306 120.4(3) . . ?
C304 C305 H305 119.8 . . ?
C306 C305 H305 119.8 . . ?
Cl40 C401 H40A 109.5 . . ?
Cl40 C401 H40B 109.5 . . ?
Cl1 C401 Cl40 110.81(17) . . ?
Cl1 C401 H40A 109.5 . . ?
Cl1 C401 H40B 109.5 . . ?
H40A C401 H40B 108.1 . . ?
C308 C309 H309 120.0 . . ?
C310 C309 C308 119.9(3) . . ?
C310 C309 H309 120.0 . . ?
C208 C209 H209 119.8 . . ?
C210 C209 C208 120.4(3) . . ?
C210 C209 H209 119.8 . . ?
C209 C210 H210 120.0 . . ?
C211 C210 C209 120.0(3) . . ?
C211 C210 H210 120.0 . . ?
C110 C124 H12G 109.5 . . ?
C110 C124 H12H 109.5 . . ?
C110 C124 H12I 109.5 . . ?
H12G C124 H12H 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
C114 C113 C112 107.6(3) . . ?
C114 C113 H113 126.2 . . ?
C112 C113 H113 126.2 . . ?
C312 C311 H311 119.7 . . ?
C310 C311 C312 120.6(3) . . ?
C310 C311 H311 119.7 . . ?
C309 C310 H310 119.7 . . ?
C311 C310 C309 120.6(3) . . ?
C311 C310 H310 119.7 . . ?
C20 C28 H28A 109.5 . . ?
C20 C28 H28B 109.5 . . ?
C20 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C110 C123 H12J 109.5 . . ?
C110 C123 H12K 109.5 . . ?
C110 C123 H12L 109.5 . . ?
H12J C123 H12K 109.5 . . ?
H12J C123 H12L 109.5 . . ?
H12K C123 H12L 109.5 . . ?
C20 C27 H27A 109.5 . . ?
C20 C27 H27B 109.5 . . ?
C20 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C212 C211 H211 119.8 . . ?
C210 C211 C212 120.4(3) . . ?
C210 C211 H211 119.8 . . ?
C114 C115 C116 110.7(3) . . ?
C114 C115 C126 110.2(3) . . ?
C114 C115 C125 109.1(3) . . ?
C116 C115 C126 109.3(3) . . ?
C116 C115 C125 109.0(3) . . ?
C126 C115 C125 108.6(3) . . ?
C105 C122 H12M 109.5 . . ?
C105 C122 H12N 109.5 . . ?
C105 C122 H12O 109.5 . . ?
H12M C122 H12N 109.5 . . ?
H12M C122 H12O 109.5 . . ?
H12N C122 H12O 109.5 . . ?
C105 C121 H12P 109.5 . . ?
C105 C121 H12Q 109.5 . . ?
C105 C121 H12R 109.5 . . ?
H12P C121 H12Q 109.5 . . ?
H12P C121 H12R 109.5 . . ?
H12Q C121 H12R 109.5 . . ?
C115 C126 H12S 109.5 . . ?
C115 C126 H12T 109.5 . . ?
C115 C126 H12U 109.5 . . ?
H12S C126 H12T 109.5 . . ?
H12S C126 H12U 109.5 . . ?
H12T C126 H12U 109.5 . . ?
C115 C125 H12V 109.5 . . ?
C115 C125 H12W 109.5 . . ?
C115 C125 H12X 109.5 . . ?
H12V C125 H12W 109.5 . . ?
H12V C125 H12X 109.5 . . ?
H12W C125 H12X 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ga1 N3 C11 C10 -10.0(3) . . . . ?
Ga1 N3 C11 C12 174.65(18) . . . . ?
Ga1 N3 C14 C13 -174.25(18) . . . . ?
Ga1 N3 C14 C15 1.9(3) . . . . ?
Ga1 N2 C9 C10 -4.5(3) . . . . ?
Ga1 N2 C9 C8 170.53(18) . . . . ?
Ga1 N2 C6 C7 -171.25(18) . . . . ?
Ga1 N2 C6 C5 12.2(3) . . . . ?
Ga1 N1 C4 C3 -172.70(19) . . . . ?
Ga1 N1 C4 C5 1.8(4) . . . . ?
Ga1 N1 C1 C2 172.9(2) . . . . ?
Ga1 N1 C1 C20 -11.0(4) . . . . ?
Ga1 N4 C19 C18 175.17(19) . . . . ?
Ga1 N4 C19 C20 0.8(4) . . . . ?
Ga1 N4 C16 C17 -175.41(19) . . . . ?
Ga1 N4 C16 C15 9.7(4) . . . . ?
Ga10 N101 C101 C120 1.2(4) . . . . ?
Ga10 N101 C101 C102 176.8(2) . . . . ?
Ga10 N101 C104 C105 8.8(4) . . . . ?
Ga10 N101 C104 C103 -177.4(2) . . . . ?
Ga10 N103 C111 C110 1.5(4) . . . . ?
Ga10 N103 C111 C112 176.6(2) . . . . ?
Ga10 N103 C114 C113 -177.2(2) . . . . ?
Ga10 N103 C114 C115 8.8(4) . . . . ?
Ga10 N104 C119 C120 -2.0(4) . . . . ?
Ga10 N104 C119 C118 -175.2(2) . . . . ?
Ga10 N104 C116 C117 175.5(2) . . . . ?
Ga10 N104 C116 C115 -7.0(4) . . . . ?
Ga10 N102 C109 C110 -8.3(4) . . . . ?
Ga10 N102 C109 C108 176.6(2) . . . . ?
Ga10 N102 C106 C107 -176.1(2) . . . . ?
Ga10 N102 C106 C105 -0.8(4) . . . . ?
P301 C313 C314 C315 177.4(2) . . . . ?
P301 C313 C318 C317 -177.4(2) . . . . ?
P301 C319 C320 C321 -176.7(2) . . . . ?
P301 C319 C324 C323 177.7(2) . . . . ?
P301 C307 C312 C311 177.2(2) . . . . ?
P301 C307 C308 C309 -176.3(2) . . . . ?
P301 C301 C306 C305 -172.5(2) . . . . ?
P201 C213 C214 C215 176.8(2) . . . . ?
P201 C201 C202 C203 176.7(2) . . . . ?
P201 C207 C212 C211 -176.7(2) . . . . ?
N3 C11 C10 C9 49.7(3) . . . . ?
N3 C11 C10 C23 -70.5(3) . . . . ?
N3 C11 C10 C24 171.6(2) . . . . ?
N3 C11 C12 C13 -0.4(3) . . . . ?
N3 C14 C13 C12 -0.7(3) . . . . ?
N3 C14 C15 C26 -77.8(3) . . . . ?
N3 C14 C15 C16 42.5(3) . . . . ?
N3 C14 C15 C25 163.5(2) . . . . ?
N2 C9 C10 C11 -42.0(3) . . . . ?
N2 C9 C10 C23 77.0(3) . . . . ?
N2 C9 C10 C24 -164.7(2) . . . . ?
N2 C9 C8 C7 1.0(3) . . . . ?
N2 C6 C5 C4 -51.1(3) . . . . ?
N2 C6 C5 C22 68.7(3) . . . . ?
N2 C6 C5 C21 -173.3(2) . . . . ?
N1 C4 C3 C2 -0.1(3) . . . . ?
N1 C4 C5 C22 -75.7(3) . . . . ?
N1 C4 C5 C6 43.9(3) . . . . ?
N1 C4 C5 C21 165.7(2) . . . . ?
N1 C1 C2 C3 -0.2(3) . . . . ?
N1 C1 C20 C19 50.5(4) . . . . ?
N1 C1 C20 C28 172.3(3) . . . . ?
N1 C1 C20 C27 -69.7(3) . . . . ?
N101 C101 C102 C103 1.1(3) . . . . ?
N101 C104 C105 C106 -50.1(4) . . . . ?
N101 C104 C105 C122 -172.0(3) . . . . ?
N101 C104 C105 C121 69.6(4) . . . . ?
N101 C104 C103 C102 0.2(4) . . . . ?
N103 C111 C110 C109 -44.4(4) . . . . ?
N103 C111 C110 C124 75.8(3) . . . . ?
N103 C111 C110 C123 -166.4(3) . . . . ?
N103 C111 C112 C113 0.9(3) . . . . ?
N103 C114 C113 C112 0.6(4) . . . . ?
N103 C114 C115 C116 -49.3(4) . . . . ?
N103 C114 C115 C126 -170.3(3) . . . . ?
N103 C114 C115 C125 70.6(4) . . . . ?
N104 C119 C118 C117 -0.6(3) . . . . ?
N104 C116 C117 C118 -0.5(4) . . . . ?
N104 C116 C115 C114 48.3(4) . . . . ?
N104 C116 C115 C126 169.8(3) . . . . ?
N104 C116 C115 C125 -71.7(4) . . . . ?
N4 C19 C20 C1 -45.0(4) . . . . ?
N4 C19 C20 C28 -166.7(3) . . . . ?
N4 C19 C20 C27 75.2(3) . . . . ?
N102 C109 C110 C111 47.8(3) . . . . ?
N102 C109 C110 C124 -72.5(3) . . . . ?
N102 C109 C110 C123 169.9(3) . . . . ?
N102 C109 C108 C107 -0.8(3) . . . . ?
N102 C106 C107 C108 -0.7(3) . . . . ?
N102 C106 C105 C104 45.6(4) . . . . ?
N102 C106 C105 C122 167.5(3) . . . . ?
N102 C106 C105 C121 -74.2(3) . . . . ?
C313 P301 C319 C320 73.4(2) . . . . ?
C313 P301 C319 C324 -103.2(2) . . . . ?
C313 P301 C307 C312 16.5(3) . . . . ?
C313 P301 C307 C308 -165.3(2) . . . . ?
C313 P301 C301 C302 44.8(3) . . . . ?
C313 P301 C301 C306 -141.8(2) . . . . ?
C313 C314 C315 C316 0.0(4) . . . . ?
C313 C318 C317 C316 -0.2(5) . . . . ?
C11 N3 C14 C13 0.5(3) . . . . ?
C11 N3 C14 C15 176.7(2) . . . . ?
C11 C12 C13 C14 0.7(3) . . . . ?
C9 N2 C6 C7 -0.5(3) . . . . ?
C9 N2 C6 C5 -177.0(2) . . . . ?
C9 C8 C7 C6 -1.3(3) . . . . ?
C218 C213 C214 C215 -3.3(4) . . . . ?
C319 P301 C313 C314 173.1(2) . . . . ?
C319 P301 C313 C318 -8.5(3) . . . . ?
C319 P301 C307 C312 136.9(2) . . . . ?
C319 P301 C307 C308 -44.9(3) . . . . ?
C319 P301 C301 C302 -74.8(2) . . . . ?
C319 P301 C301 C306 98.6(3) . . . . ?
C319 C320 C321 C322 -1.0(4) . . . . ?
C224 C223 C222 C221 0.0(4) . . . . ?
C10 C11 C12 C13 -175.1(3) . . . . ?
C10 C9 C8 C7 175.4(3) . . . . ?
C220 C221 C222 C223 -0.1(4) . . . . ?
C213 P201 C219 C224 16.7(3) . . . . ?
C213 P201 C219 C220 -165.2(2) . . . . ?
C213 P201 C201 C206 -138.9(2) . . . . ?
C213 P201 C201 C202 43.4(3) . . . . ?
C213 P201 C207 C208 72.5(3) . . . . ?
C213 P201 C207 C212 -111.2(2) . . . . ?
C213 C218 C217 C216 1.6(4) . . . . ?
C314 C313 C318 C317 1.1(4) . . . . ?
C314 C315 C316 C317 0.8(5) . . . . ?
C219 P201 C213 C218 116.6(2) . . . . ?
C219 P201 C213 C214 -63.4(2) . . . . ?
C219 P201 C201 C206 -17.6(3) . . . . ?
C219 P201 C201 C202 164.7(2) . . . . ?
C219 P201 C207 C208 -50.1(3) . . . . ?
C219 P201 C207 C212 126.1(2) . . . . ?
C219 C224 C223 C222 0.3(4) . . . . ?
C219 C220 C221 C222 -0.1(4) . . . . ?
C215 C216 C217 C218 -2.9(5) . . . . ?
C4 N1 C1 C2 0.2(3) . . . . ?
C4 N1 C1 C20 176.3(2) . . . . ?
C4 C3 C2 C1 0.2(3) . . . . ?
C320 C319 C324 C323 1.1(4) . . . . ?
C320 C321 C322 C323 1.0(4) . . . . ?
C8 C9 C10 C11 144.2(3) . . . . ?
C8 C9 C10 C23 -96.8(3) . . . . ?
C8 C9 C10 C24 21.5(4) . . . . ?
C8 C7 C6 N2 1.1(3) . . . . ?
C8 C7 C6 C5 177.1(3) . . . . ?
C1 N1 C4 C3 0.0(3) . . . . ?
C1 N1 C4 C5 174.5(2) . . . . ?
C221 C220 C219 P201 -177.7(2) . . . . ?
C221 C220 C219 C224 0.4(4) . . . . ?
C26 C15 C16 N4 71.5(3) . . . . ?
C26 C15 C16 C17 -102.1(3) . . . . ?
C12 C11 C10 C9 -136.1(3) . . . . ?
C12 C11 C10 C23 103.7(3) . . . . ?
C12 C11 C10 C24 -14.2(4) . . . . ?
C223 C224 C219 P201 177.5(2) . . . . ?
C223 C224 C219 C220 -0.5(4) . . . . ?
C120 C119 C118 C117 -173.0(3) . . . . ?
C120 C101 C102 C103 176.1(3) . . . . ?
C318 C313 C314 C315 -1.0(4) . . . . ?
C318 C317 C316 C315 -0.7(5) . . . . ?
C119 N104 C116 C117 0.1(3) . . . . ?
C119 N104 C116 C115 177.5(3) . . . . ?
C119 C120 C101 N101 -43.4(4) . . . . ?
C119 C120 C101 C102 142.1(3) . . . . ?
C119 C118 C117 C116 0.7(4) . . . . ?
C302 C303 C304 C305 1.0(5) . . . . ?
C302 C301 C306 C305 0.9(4) . . . . ?
C307 P301 C313 C314 -67.6(3) . . . . ?
C307 P301 C313 C318 110.8(2) . . . . ?
C307 P301 C319 C320 -47.4(3) . . . . ?
C307 P301 C319 C324 136.0(2) . . . . ?
C307 P301 C301 C302 166.8(2) . . . . ?
C307 P301 C301 C306 -19.8(3) . . . . ?
C307 C312 C311 C310 -0.8(5) . . . . ?
C307 C308 C309 C310 -1.0(5) . . . . ?
C7 C6 C5 C4 133.3(3) . . . . ?
C7 C6 C5 C22 -106.9(3) . . . . ?
C7 C6 C5 C21 11.1(4) . . . . ?
C3 C4 C5 C22 97.5(3) . . . . ?
C3 C4 C5 C6 -142.9(3) . . . . ?
C3 C4 C5 C21 -21.2(4) . . . . ?
C214 C215 C216 C217 1.0(4) . . . . ?
C6 N2 C9 C10 -175.4(2) . . . . ?
C6 N2 C9 C8 -0.4(3) . . . . ?
C14 N3 C11 C10 175.3(2) . . . . ?
C14 N3 C11 C12 -0.1(3) . . . . ?
C14 C15 C16 N4 -48.9(3) . . . . ?
C14 C15 C16 C17 137.6(3) . . . . ?
C206 C201 C202 C203 -1.0(5) . . . . ?
C206 C205 C204 C203 0.0(5) . . . . ?
C101 N101 C104 C105 -173.3(3) . . . . ?
C101 N101 C104 C103 0.5(3) . . . . ?
C101 C120 C119 N104 43.7(4) . . . . ?
C101 C120 C119 C118 -144.8(3) . . . . ?
C101 C102 C103 C104 -0.8(4) . . . . ?
C111 N103 C114 C113 0.0(3) . . . . ?
C111 N103 C114 C115 -174.0(3) . . . . ?
C111 C112 C113 C114 -0.9(4) . . . . ?
C13 C14 C15 C26 97.4(3) . . . . ?
C13 C14 C15 C16 -142.3(3) . . . . ?
C13 C14 C15 C25 -21.3(4) . . . . ?
C17 C18 C19 N4 0.4(3) . . . . ?
C17 C18 C19 C20 174.0(3) . . . . ?
C216 C215 C214 C213 2.1(4) . . . . ?
C18 C17 C16 N4 0.3(3) . . . . ?
C18 C17 C16 C15 174.4(3) . . . . ?
C18 C19 C20 C1 142.1(3) . . . . ?
C18 C19 C20 C28 20.4(4) . . . . ?
C18 C19 C20 C27 -97.8(4) . . . . ?
C201 P201 C213 C218 -122.9(2) . . . . ?
C201 P201 C213 C214 57.1(2) . . . . ?
C201 P201 C219 C224 -101.8(2) . . . . ?
C201 P201 C219 C220 76.3(2) . . . . ?
C201 P201 C207 C208 -169.3(2) . . . . ?
C201 P201 C207 C212 6.9(3) . . . . ?
C201 C206 C205 C204 -0.7(5) . . . . ?
C201 C202 C203 C204 0.3(5) . . . . ?
C303 C302 C301 P301 171.9(2) . . . . ?
C303 C302 C301 C306 -1.5(4) . . . . ?
C303 C304 C305 C306 -1.6(5) . . . . ?
C5 C4 C3 C2 -174.0(3) . . . . ?
C2 C1 C20 C19 -134.4(3) . . . . ?
C2 C1 C20 C28 -12.5(5) . . . . ?
C2 C1 C20 C27 105.4(4) . . . . ?
C128 C120 C119 N104 -76.4(3) . . . . ?
C128 C120 C119 C118 95.1(4) . . . . ?
C128 C120 C101 N101 76.2(3) . . . . ?
C128 C120 C101 C102 -98.3(4) . . . . ?
C217 C218 C213 P201 -178.6(2) . . . . ?
C217 C218 C213 C214 1.4(4) . . . . ?
C205 C206 C201 P201 -176.4(2) . . . . ?
C205 C206 C201 C202 1.2(5) . . . . ?
C205 C204 C203 C202 0.2(5) . . . . ?
C301 P301 C313 C314 54.5(3) . . . . ?
C301 P301 C313 C318 -127.1(2) . . . . ?
C301 P301 C319 C320 -167.4(2) . . . . ?
C301 P301 C319 C324 15.9(3) . . . . ?
C301 P301 C307 C312 -104.7(2) . . . . ?
C301 P301 C307 C308 73.5(3) . . . . ?
C301 C302 C303 C304 0.6(4) . . . . ?
C301 C306 C305 C304 0.7(5) . . . . ?
C19 N4 C16 C17 -0.1(3) . . . . ?
C19 N4 C16 C15 -174.9(2) . . . . ?
C109 N102 C106 C107 0.3(3) . . . . ?
C109 N102 C106 C105 175.5(2) . . . . ?
C110 C111 C112 C113 175.5(3) . . . . ?
C110 C109 C108 C107 -175.1(3) . . . . ?
C322 C323 C324 C319 -1.1(5) . . . . ?
C15 C14 C13 C12 -176.3(3) . . . . ?
C106 N102 C109 C110 175.4(2) . . . . ?
C106 N102 C109 C108 0.3(3) . . . . ?
C106 C107 C108 C109 0.9(3) . . . . ?
C16 N4 C19 C18 -0.2(3) . . . . ?
C16 N4 C19 C20 -174.6(3) . . . . ?
C16 C17 C18 C19 -0.4(3) . . . . ?
C324 C319 C320 C321 -0.1(4) . . . . ?
C324 C323 C322 C321 0.0(5) . . . . ?
C104 N101 C101 C120 -176.6(3) . . . . ?
C104 N101 C101 C102 -1.0(3) . . . . ?
C114 N103 C111 C110 -175.7(3) . . . . ?
C114 N103 C111 C112 -0.6(3) . . . . ?
C116 N104 C119 C120 173.5(3) . . . . ?
C116 N104 C119 C118 0.3(3) . . . . ?
C312 C307 C308 C309 1.9(4) . . . . ?
C312 C311 C310 C309 1.8(5) . . . . ?
C112 C111 C110 C109 141.6(3) . . . . ?
C112 C111 C110 C124 -98.2(4) . . . . ?
C112 C111 C110 C123 19.6(4) . . . . ?
C208 C207 C212 C211 -0.5(4) . . . . ?
C208 C209 C210 C211 0.6(5) . . . . ?
C20 C1 C2 C3 -175.8(3) . . . . ?
C107 C106 C105 C104 -140.4(3) . . . . ?
C107 C106 C105 C122 -18.5(4) . . . . ?
C107 C106 C105 C121 99.8(4) . . . . ?
C207 P201 C213 C218 -3.5(3) . . . . ?
C207 P201 C213 C214 176.5(2) . . . . ?
C207 P201 C219 C224 139.9(2) . . . . ?
C207 P201 C219 C220 -42.1(3) . . . . ?
C207 P201 C201 C206 99.5(3) . . . . ?
C207 P201 C201 C202 -78.2(3) . . . . ?
C207 C208 C209 C210 -1.6(5) . . . . ?
C207 C212 C211 C210 -0.5(5) . . . . ?
C25 C15 C16 N4 -170.3(2) . . . . ?
C25 C15 C16 C17 16.1(4) . . . . ?
C105 C106 C107 C108 -175.2(3) . . . . ?
C105 C104 C103 C102 173.2(3) . . . . ?
C308 C307 C312 C311 -1.0(4) . . . . ?
C308 C309 C310 C311 -0.8(5) . . . . ?
C103 C104 C105 C106 137.6(3) . . . . ?
C103 C104 C105 C122 15.7(5) . . . . ?
C103 C104 C105 C121 -102.7(4) . . . . ?
C127 C120 C119 N104 165.8(3) . . . . ?
C127 C120 C119 C118 -22.6(4) . . . . ?
C127 C120 C101 N101 -165.4(3) . . . . ?
C127 C120 C101 C102 20.1(4) . . . . ?
C108 C109 C110 C111 -138.4(3) . . . . ?
C108 C109 C110 C124 101.4(4) . . . . ?
C108 C109 C110 C123 -16.2(4) . . . . ?
C117 C116 C115 C114 -134.9(3) . . . . ?
C117 C116 C115 C126 -13.4(5) . . . . ?
C117 C116 C115 C125 105.1(4) . . . . ?
C209 C208 C207 P201 177.8(2) . . . . ?
C209 C208 C207 C212 1.5(4) . . . . ?
C209 C210 C211 C212 0.5(5) . . . . ?
C113 C114 C115 C116 138.1(3) . . . . ?
C113 C114 C115 C126 17.2(5) . . . . ?
C113 C114 C115 C125 -102.0(4) . . . . ?
C115 C114 C113 C112 173.8(3) . . . . ?
C115 C116 C117 C118 -177.6(3) . . . . ?

_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 0.000 0.000 0.000 24.0 0.0 ?
2 0.000 0.500 0.500 24.0 0.0 ?
3 0.068 0.673 0.024 11.0 0.0 ?
4 0.068 0.827 0.524 11.0 0.0 ?
5 0.500 0.000 0.500 525.5 165.0 '4 CH2Cl2'
6 0.500 0.500 0.000 525.5 165.0 '4 CH2Cl2'
7 0.380 0.116 0.849 24.2 0.0 ?
8 0.380 0.384 0.349 24.2 0.0 ?
9 0.620 0.616 0.651 24.2 0.0 ?
10 0.620 0.884 0.151 24.2 0.0 ?
11 0.932 0.173 0.476 11.0 0.0 ?
12 0.932 0.327 0.976 11.0 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_mo_LMSEE019_0m
_database_code_depnum_ccdc_archive 'CCDC 2175983'
loop_
_audit_author_name
_audit_author_address
'Lutz Greb'
;Universitaet Heidelberg
Germany
;
_audit_update_record             
;
2022-05-31 deposited with the CCDC.	2022-09-07 downloaded from the CCDC.
;
_audit_creation_method           
;
FinalCif V104 by Daniel Kratzert, Freiburg 2022,
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C56 H60 Ga N4 O P'
_chemical_formula_moiety         'C32 H40 Ga N4 O, C24 H20 P'
_chemical_formula_weight         905.77
_chemical_melting_point          ?
_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                   13.0677(6)
_cell_length_b                   21.4060(11)
_cell_length_c                   17.1423(7)
_cell_angle_alpha                90
_cell_angle_beta                 108.630(2)
_cell_angle_gamma                90
_cell_volume                     4543.9(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9248
_cell_measurement_theta_min      2.5155
_cell_measurement_theta_max      27.5385
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.694
_exptl_crystal_size_mid          0.453
_exptl_crystal_size_min          0.342
_exptl_absorpt_coefficient_mu    0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6661
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   0.647
_shelx_estimated_absorpt_T_max   0.799
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            302121
_diffrn_reflns_av_unetI/netI     0.0183
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_theta_min         1.900
_diffrn_reflns_theta_max         27.574
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10488
_reflns_number_gt                9810
_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       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0358P)²+1.8378P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         10488
_refine_ls_number_parameters     576
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0254
_refine_ls_wR_factor_ref         0.0700
_refine_ls_wR_factor_gt          0.0689
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.432
_refine_diff_density_min         -0.369
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

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'
Ga Ga 0.2307 1.6083 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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
Ga1_1 Ga 0.56470(2) 0.36943(2) 0.73101(2) 0.01370(4) Uani 1 1 d . . . . .
O1_1 O 0.60645(7) 0.30903(4) 0.82680(5) 0.01886(16) Uani 1 1 d . . . . .
N1_1 N 0.49673(8) 0.43699(4) 0.77678(6) 0.01668(18) Uani 1 1 d . . . . .
C1_1 C 0.54658(10) 0.47116(5) 0.84786(7) 0.0186(2) Uani 1 1 d . . . . .
N2_1 N 0.42067(8) 0.33541(4) 0.66821(6) 0.01628(18) Uani 1 1 d . . . . .
C2_1 C 0.47043(11) 0.50677(6) 0.86729(8) 0.0260(3) Uani 1 1 d . . . . .
H2_1 H 0.482960 0.533725 0.913424 0.031 Uiso 1 1 calc R U . . .
N3_1 N 0.70277(8) 0.41753(4) 0.77141(6) 0.01645(18) Uani 1 1 d . . . . .
C3_1 C 0.37012(10) 0.49583(6) 0.80591(8) 0.0252(3) Uani 1 1 d . . . . .
H3_1 H 0.302787 0.514264 0.802768 0.030 Uiso 1 1 calc R U . . .
N4_1 N 0.62511(8) 0.31428(4) 0.66193(6) 0.01622(18) Uani 1 1 d . . . . .
C4_1 C 0.38854(9) 0.45340(5) 0.75161(7) 0.0183(2) Uani 1 1 d . . . . .
C5_1 C 0.32161(9) 0.36454(5) 0.65361(7) 0.0173(2) Uani 1 1 d . . . . .
C6_1 C 0.23982(10) 0.32332(6) 0.61622(7) 0.0211(2) Uani 1 1 d . . . . .
H6_1 H 0.164500 0.331589 0.600047 0.025 Uiso 1 1 calc R U . . .
C7_1 C 0.28904(10) 0.26642(6) 0.60645(7) 0.0217(2) Uani 1 1 d . . . . .
H7_1 H 0.252827 0.229178 0.582679 0.026 Uiso 1 1 calc R U . . .
C8_1 C 0.39936(9) 0.27482(5) 0.63776(7) 0.0175(2) Uani 1 1 d . . . . .
C9_1 C 0.66521(10) 0.46824(5) 0.89644(7) 0.0189(2) Uani 1 1 d . . . . .
C10_1 C 0.73619(9) 0.45111(5) 0.84478(7) 0.0171(2) Uani 1 1 d . . . . .
C11_1 C 0.79162(9) 0.41245(5) 0.74438(7) 0.0173(2) Uani 1 1 d . . . . .
C12_1 C 0.87929(10) 0.44122(6) 0.79924(7) 0.0219(2) Uani 1 1 d . . . . .
H12_1 H 0.949910 0.444187 0.795111 0.026 Uiso 1 1 calc R U . . .
C13_1 C 0.84400(10) 0.46562(6) 0.86323(7) 0.0219(2) Uani 1 1 d . . . . .
H13_1 H 0.886909 0.487913 0.910233 0.026 Uiso 1 1 calc R U . . .
C14_1 C 0.31274(9) 0.43335(5) 0.66925(7) 0.0186(2) Uani 1 1 d . . . . .
C15_1 C 0.19611(10) 0.44914(6) 0.66378(8) 0.0240(2) Uani 1 1 d . . . . .
H15A_1 H 0.147808 0.439757 0.608279 0.036 Uiso 1 1 calc R U . . .
H15B_1 H 0.190975 0.493621 0.675526 0.036 Uiso 1 1 calc R U . . .
H15C_1 H 0.175071 0.424115 0.704058 0.036 Uiso 1 1 calc R U . . .
C16_1 C 0.59473(10) 0.25184(5) 0.64764(7) 0.0179(2) Uani 1 1 d . . . . .
C17_1 C 0.67968(10) 0.21796(6) 0.63783(7) 0.0216(2) Uani 1 1 d . . . . .
H17_1 H 0.680722 0.174254 0.628515 0.026 Uiso 1 1 calc R U . . .
C18_1 C 0.76523(10) 0.26062(6) 0.64426(7) 0.0209(2) Uani 1 1 d . . . . .
H18_1 H 0.834041 0.250966 0.639687 0.025 Uiso 1 1 calc R U . . .
C19_1 C 0.72932(9) 0.31862(5) 0.65838(7) 0.0173(2) Uani 1 1 d . . . . .
C20_1 C 0.54110(10) 0.28326(6) 0.87413(8) 0.0231(2) Uani 1 1 d . . . . .
H20A_1 H 0.472689 0.265792 0.837044 0.028 Uiso 1 1 calc R U . . .
H20B_1 H 0.524031 0.315854 0.909041 0.028 Uiso 1 1 calc R U . . .
C21_1 C 0.61069(11) 0.23191(6) 0.92712(8) 0.0247(2) Uani 1 1 d . . . . .
H21A_1 H 0.598777 0.229006 0.981208 0.030 Uiso 1 1 calc R U . . .
H21B_1 H 0.595104 0.190849 0.899242 0.030 Uiso 1 1 calc R U . . .
C22_1 C 0.72545(10) 0.25308(6) 0.93681(7) 0.0228(2) Uani 1 1 d . . . . .
H22A_1 H 0.750988 0.284056 0.981743 0.027 Uiso 1 1 calc R U . . .
H22B_1 H 0.775853 0.217184 0.948416 0.027 Uiso 1 1 calc R U . . .
C23_1 C 0.71548(10) 0.28220(6) 0.85401(7) 0.0211(2) Uani 1 1 d . . . . .
H23A_1 H 0.770780 0.315013 0.859698 0.025 Uiso 1 1 calc R U . . .
H23B_1 H 0.723505 0.250217 0.814643 0.025 Uiso 1 1 calc R U . . .
C24_1 C 0.48345(10) 0.22592(5) 0.63817(7) 0.0182(2) Uani 1 1 d . . . . .
C25_1 C 0.49076(11) 0.17634(6) 0.70552(8) 0.0253(3) Uani 1 1 d . . . . .
H25A_1 H 0.418426 0.160173 0.699310 0.038 Uiso 1 1 calc R U . . .
H25B_1 H 0.521048 0.195506 0.759984 0.038 Uiso 1 1 calc R U . . .
H25C_1 H 0.537452 0.141972 0.699901 0.038 Uiso 1 1 calc R U . . .
C26_1 C 0.70017(11) 0.53351(6) 0.93384(9) 0.0301(3) Uani 1 1 d . . . . .
H26A_1 H 0.776594 0.532474 0.967245 0.045 Uiso 1 1 calc R U . . .
H26B_1 H 0.656507 0.545335 0.968538 0.045 Uiso 1 1 calc R U . . .
H26C_1 H 0.689601 0.564130 0.889459 0.045 Uiso 1 1 calc R U . . .
C27_1 C 0.68333(11) 0.42263(7) 0.96961(8) 0.0272(3) Uani 1 1 d . . . . .
H27A_1 H 0.638439 0.435333 1.003004 0.041 Uiso 1 1 calc R U . . .
H27B_1 H 0.759550 0.423414 1.003515 0.041 Uiso 1 1 calc R U . . .
H27C_1 H 0.663466 0.380230 0.948651 0.041 Uiso 1 1 calc R U . . .
C28_1 C 0.78304(9) 0.38144(6) 0.66353(7) 0.0184(2) Uani 1 1 d . . . . .
C29_1 C 0.89611(10) 0.37364(6) 0.65537(8) 0.0247(3) Uani 1 1 d . . . . .
H29A_1 H 0.890070 0.352930 0.603106 0.037 Uiso 1 1 calc R U . . .
H29B_1 H 0.940906 0.348223 0.701114 0.037 Uiso 1 1 calc R U . . .
H29C_1 H 0.929437 0.414810 0.656692 0.037 Uiso 1 1 calc R U . . .
C30_1 C 0.34113(10) 0.47109(6) 0.60180(8) 0.0230(2) Uani 1 1 d . . . . .
H30A_1 H 0.289565 0.460931 0.547773 0.035 Uiso 1 1 calc R U . . .
H30B_1 H 0.414318 0.460317 0.602520 0.035 Uiso 1 1 calc R U . . .
H30C_1 H 0.337469 0.515873 0.612455 0.035 Uiso 1 1 calc R U . . .
C31_1 C 0.44324(11) 0.19152(6) 0.55422(7) 0.0234(2) Uani 1 1 d . . . . .
H31A_1 H 0.434905 0.221618 0.509529 0.035 Uiso 1 1 calc R U . . .
H31B_1 H 0.373513 0.171681 0.548059 0.035 Uiso 1 1 calc R U . . .
H31C_1 H 0.495914 0.159540 0.552026 0.035 Uiso 1 1 calc R U . . .
C32_1 C 0.71553(10) 0.42278(6) 0.59138(7) 0.0226(2) Uani 1 1 d . . . . .
H32A_1 H 0.708431 0.401863 0.539063 0.034 Uiso 1 1 calc R U . . .
H32B_1 H 0.751712 0.463096 0.593090 0.034 Uiso 1 1 calc R U . . .
H32C_1 H 0.643674 0.429566 0.596303 0.034 Uiso 1 1 calc R U . . .
P1_2 P 0.12438(2) 0.17340(2) 0.80679(2) 0.01745(6) Uani 1 1 d . . . . .
C1_2 C 0.25071(9) 0.13314(5) 0.84697(7) 0.0179(2) Uani 1 1 d . . . . .
C2_2 C 0.31704(10) 0.15032(6) 0.92609(7) 0.0197(2) Uani 1 1 d . . . . .
H2_2 H 0.292829 0.180312 0.957111 0.024 Uiso 1 1 calc R U . . .
C3_2 C 0.41796(10) 0.12316(6) 0.95848(7) 0.0205(2) Uani 1 1 d . . . . .
H3_2 H 0.463275 0.134367 1.011988 0.025 Uiso 1 1 calc R U . . .
C4_2 C 0.45287(10) 0.07938(6) 0.91242(8) 0.0219(2) Uani 1 1 d . . . . .
H4_2 H 0.522251 0.060951 0.934762 0.026 Uiso 1 1 calc R U . . .
C5_2 C 0.38737(10) 0.06234(6) 0.83411(8) 0.0225(2) Uani 1 1 d . . . . .
H5_2 H 0.412226 0.032549 0.803223 0.027 Uiso 1 1 calc R U . . .
C6_2 C 0.28563(10) 0.08884(6) 0.80102(7) 0.0203(2) Uani 1 1 d . . . . .
H6_2 H 0.240267 0.077013 0.747794 0.024 Uiso 1 1 calc R U . . .
C7_2 C 0.15256(10) 0.25388(5) 0.83321(7) 0.0190(2) Uani 1 1 d . . . . .
C8_2 C 0.24006(10) 0.28106(6) 0.81537(7) 0.0214(2) Uani 1 1 d . . . . .
H8_2 H 0.280552 0.257280 0.788704 0.026 Uiso 1 1 calc R U . . .
C9_2 C 0.26739(10) 0.34277(6) 0.83675(7) 0.0229(2) Uani 1 1 d . . . . .
H9_2 H 0.326518 0.361470 0.824660 0.028 Uiso 1 1 calc R U . . .
C10_2 C 0.20797(11) 0.37704(6) 0.87585(8) 0.0252(3) Uani 1 1 d . . . . .
H10_2 H 0.227057 0.419222 0.890849 0.030 Uiso 1 1 calc R U . . .
C11_2 C 0.12115(12) 0.35048(6) 0.89327(8) 0.0289(3) Uani 1 1 d . . . . .
H11_2 H 0.080854 0.374529 0.919816 0.035 Uiso 1 1 calc R U . . .
C12_2 C 0.09267(11) 0.28854(6) 0.87198(8) 0.0252(3) Uani 1 1 d . . . . .
H12_2 H 0.033076 0.270194 0.883793 0.030 Uiso 1 1 calc R U . . .
C13_2 C 0.06772(9) 0.16510(6) 0.69728(7) 0.0209(2) Uani 1 1 d . . . . .
C14_2 C 0.05553(10) 0.21679(6) 0.64595(8) 0.0232(2) Uani 1 1 d . . . . .
H14_2 H 0.081986 0.256468 0.668244 0.028 Uiso 1 1 calc R U . . .
C15_2 C 0.00420(11) 0.20999(7) 0.56153(8) 0.0287(3) Uani 1 1 d . . . . .
H15_2 H -0.004725 0.245142 0.526152 0.034 Uiso 1 1 calc R U . . .
C16_2 C -0.03376(11) 0.15200(7) 0.52926(8) 0.0307(3) Uani 1 1 d . . . . .
H16_2 H -0.069481 0.147590 0.471829 0.037 Uiso 1 1 calc R U . . .
C17_2 C -0.01991(11) 0.10051(7) 0.58024(9) 0.0321(3) Uani 1 1 d . . . . .
H17_2 H -0.044922 0.060740 0.557452 0.039 Uiso 1 1 calc R U . . .
C18_2 C 0.03021(11) 0.10646(6) 0.66436(8) 0.0282(3) Uani 1 1 d . . . . .
H18_2 H 0.039002 0.071072 0.699326 0.034 Uiso 1 1 calc R U . . .
C19_2 C 0.02461(10) 0.14440(6) 0.84959(8) 0.0205(2) Uani 1 1 d . . . . .
C20_2 C -0.08460(10) 0.15386(6) 0.80549(8) 0.0259(3) Uani 1 1 d . . . . .
H20_2 H -0.104690 0.174297 0.753590 0.031 Uiso 1 1 calc R U . . .
C21_2 C -0.16346(11) 0.13328(6) 0.83782(9) 0.0273(3) Uani 1 1 d . . . . .
H21_2 H -0.237671 0.139072 0.807702 0.033 Uiso 1 1 calc R U . . .
C22_2 C -0.13391(11) 0.10442(6) 0.91375(9) 0.0277(3) Uani 1 1 d . . . . .
H22_2 H -0.187958 0.090868 0.936088 0.033 Uiso 1 1 calc R U . . .
C23_2 C -0.02608(11) 0.09511(7) 0.95752(9) 0.0325(3) Uani 1 1 d . . . . .
H23_2 H -0.006536 0.075240 1.009784 0.039 Uiso 1 1 calc R U . . .
C24_2 C 0.05405(11) 0.11466(7) 0.92551(8) 0.0275(3) Uani 1 1 d . . . . .
H24_2 H 0.128052 0.107716 0.955303 0.033 Uiso 1 1 calc R U . . .


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
Ga1_1 N2_1 1.9841(10) . ?
Ga1_1 N1_1 1.9853(10) . ?
Ga1_1 N3_1 1.9992(10) . ?
Ga1_1 N4_1 2.0041(9) . ?
Ga1_1 O1_1 2.0230(8) . ?
O1_1 C20_1 1.4611(14) . ?
O1_1 C23_1 1.4673(14) . ?
N1_1 C4_1 1.3851(15) . ?
N1_1 C1_1 1.3916(14) . ?
C1_1 C2_1 1.3763(17) . ?
C1_1 C9_1 1.5086(16) . ?
N2_1 C5_1 1.3857(15) . ?
N2_1 C8_1 1.3926(14) . ?
C2_1 C3_1 1.4139(18) . ?
C2_1 H2_1 0.9500 . ?
N3_1 C11_1 1.3851(14) . ?
N3_1 C10_1 1.3923(14) . ?
C3_1 C4_1 1.3755(17) . ?
C3_1 H3_1 0.9500 . ?
N4_1 C19_1 1.3855(15) . ?
N4_1 C16_1 1.3935(15) . ?
C4_1 C14_1 1.5051(16) . ?
C5_1 C6_1 1.3762(16) . ?
C5_1 C14_1 1.5083(16) . ?
C6_1 C7_1 1.4121(18) . ?
C6_1 H6_1 0.9500 . ?
C7_1 C8_1 1.3800(17) . ?
C7_1 H7_1 0.9500 . ?
C8_1 C24_1 1.5159(16) . ?
C9_1 C10_1 1.5178(16) . ?
C9_1 C26_1 1.5441(16) . ?
C9_1 C27_1 1.5468(17) . ?
C10_1 C13_1 1.3773(16) . ?
C11_1 C12_1 1.3739(16) . ?
C11_1 C28_1 1.5082(16) . ?
C12_1 C13_1 1.4185(17) . ?
C12_1 H12_1 0.9500 . ?
C13_1 H13_1 0.9500 . ?
C14_1 C15_1 1.5344(16) . ?
C14_1 C30_1 1.5496(16) . ?
C15_1 H15A_1 0.9800 . ?
C15_1 H15B_1 0.9800 . ?
C15_1 H15C_1 0.9800 . ?
C16_1 C17_1 1.3805(16) . ?
C16_1 C24_1 1.5160(16) . ?
C17_1 C18_1 1.4203(18) . ?
C17_1 H17_1 0.9500 . ?
C18_1 C19_1 1.3757(16) . ?
C18_1 H18_1 0.9500 . ?
C19_1 C28_1 1.5064(16) . ?
C20_1 C21_1 1.5273(17) . ?
C20_1 H20A_1 0.9900 . ?
C20_1 H20B_1 0.9900 . ?
C21_1 C22_1 1.5239(18) . ?
C21_1 H21A_1 0.9900 . ?
C21_1 H21B_1 0.9900 . ?
C22_1 C23_1 1.5173(16) . ?
C22_1 H22A_1 0.9900 . ?
C22_1 H22B_1 0.9900 . ?
C23_1 H23A_1 0.9900 . ?
C23_1 H23B_1 0.9900 . ?
C24_1 C25_1 1.5485(16) . ?
C24_1 C31_1 1.5513(15) . ?
C25_1 H25A_1 0.9800 . ?
C25_1 H25B_1 0.9800 . ?
C25_1 H25C_1 0.9800 . ?
C26_1 H26A_1 0.9800 . ?
C26_1 H26B_1 0.9800 . ?
C26_1 H26C_1 0.9800 . ?
C27_1 H27A_1 0.9800 . ?
C27_1 H27B_1 0.9800 . ?
C27_1 H27C_1 0.9800 . ?
C28_1 C29_1 1.5371(16) . ?
C28_1 C32_1 1.5473(16) . ?
C29_1 H29A_1 0.9800 . ?
C29_1 H29B_1 0.9800 . ?
C29_1 H29C_1 0.9800 . ?
C30_1 H30A_1 0.9800 . ?
C30_1 H30B_1 0.9800 . ?
C30_1 H30C_1 0.9800 . ?
C31_1 H31A_1 0.9800 . ?
C31_1 H31B_1 0.9800 . ?
C31_1 H31C_1 0.9800 . ?
C32_1 H32A_1 0.9800 . ?
C32_1 H32B_1 0.9800 . ?
C32_1 H32C_1 0.9800 . ?
P1_2 C7_2 1.7895(12) . ?
P1_2 C13_2 1.7933(12) . ?
P1_2 C1_2 1.7933(12) . ?
P1_2 C19_2 1.7986(12) . ?
C1_2 C6_2 1.3991(16) . ?
C1_2 C2_2 1.4053(16) . ?
C2_2 C3_2 1.3848(17) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.3928(17) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.3905(17) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.3890(17) . ?
C5_2 H5_2 0.9500 . ?
C6_2 H6_2 0.9500 . ?
C7_2 C12_2 1.3917(17) . ?
C7_2 C8_2 1.4010(17) . ?
C8_2 C9_2 1.3868(17) . ?
C8_2 H8_2 0.9500 . ?
C9_2 C10_2 1.3868(18) . ?
C9_2 H9_2 0.9500 . ?
C10_2 C11_2 1.384(2) . ?
C10_2 H10_2 0.9500 . ?
C11_2 C12_2 1.3938(18) . ?
C11_2 H11_2 0.9500 . ?
C12_2 H12_2 0.9500 . ?
C13_2 C14_2 1.3908(18) . ?
C13_2 C18_2 1.3991(18) . ?
C14_2 C15_2 1.3948(17) . ?
C14_2 H14_2 0.9500 . ?
C15_2 C16_2 1.385(2) . ?
C15_2 H15_2 0.9500 . ?
C16_2 C17_2 1.382(2) . ?
C16_2 H16_2 0.9500 . ?
C17_2 C18_2 1.3861(19) . ?
C17_2 H17_2 0.9500 . ?
C18_2 H18_2 0.9500 . ?
C19_2 C24_2 1.3882(18) . ?
C19_2 C20_2 1.3999(17) . ?
C20_2 C21_2 1.3887(19) . ?
C20_2 H20_2 0.9500 . ?
C21_2 C22_2 1.380(2) . ?
C21_2 H21_2 0.9500 . ?
C22_2 C23_2 1.383(2) . ?
C22_2 H22_2 0.9500 . ?
C23_2 C24_2 1.3928(19) . ?
C23_2 H23_2 0.9500 . ?
C24_2 H24_2 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
N2_1 Ga1_1 N1_1 90.87(4) . . ?
N2_1 Ga1_1 N3_1 166.32(4) . . ?
N1_1 Ga1_1 N3_1 87.48(4) . . ?
N2_1 Ga1_1 N4_1 87.00(4) . . ?
N1_1 Ga1_1 N4_1 166.66(4) . . ?
N3_1 Ga1_1 N4_1 91.48(4) . . ?
N2_1 Ga1_1 O1_1 99.73(4) . . ?
N1_1 Ga1_1 O1_1 100.57(4) . . ?
N3_1 Ga1_1 O1_1 93.92(4) . . ?
N4_1 Ga1_1 O1_1 92.76(4) . . ?
C20_1 O1_1 C23_1 110.86(9) . . ?
C20_1 O1_1 Ga1_1 129.65(7) . . ?
C23_1 O1_1 Ga1_1 119.41(7) . . ?
C4_1 N1_1 C1_1 106.57(9) . . ?
C4_1 N1_1 Ga1_1 127.06(8) . . ?
C1_1 N1_1 Ga1_1 125.84(8) . . ?
C2_1 C1_1 N1_1 109.30(11) . . ?
C2_1 C1_1 C9_1 125.75(11) . . ?
N1_1 C1_1 C9_1 124.94(10) . . ?
C5_1 N2_1 C8_1 106.73(9) . . ?
C5_1 N2_1 Ga1_1 127.04(8) . . ?
C8_1 N2_1 Ga1_1 125.92(8) . . ?
C1_1 C2_1 C3_1 107.35(11) . . ?
C1_1 C2_1 H2_1 126.3 . . ?
C3_1 C2_1 H2_1 126.3 . . ?
C11_1 N3_1 C10_1 106.75(9) . . ?
C11_1 N3_1 Ga1_1 127.16(8) . . ?
C10_1 N3_1 Ga1_1 124.52(8) . . ?
C4_1 C3_1 C2_1 106.97(11) . . ?
C4_1 C3_1 H3_1 126.5 . . ?
C2_1 C3_1 H3_1 126.5 . . ?
C19_1 N4_1 C16_1 106.58(9) . . ?
C19_1 N4_1 Ga1_1 124.38(8) . . ?
C16_1 N4_1 Ga1_1 121.67(8) . . ?
C3_1 C4_1 N1_1 109.79(11) . . ?
C3_1 C4_1 C14_1 128.17(11) . . ?
N1_1 C4_1 C14_1 121.35(10) . . ?
C6_1 C5_1 N2_1 109.73(10) . . ?
C6_1 C5_1 C14_1 128.06(11) . . ?
N2_1 C5_1 C14_1 121.85(10) . . ?
C5_1 C6_1 C7_1 107.02(11) . . ?
C5_1 C6_1 H6_1 126.5 . . ?
C7_1 C6_1 H6_1 126.5 . . ?
C8_1 C7_1 C6_1 107.48(11) . . ?
C8_1 C7_1 H7_1 126.3 . . ?
C6_1 C7_1 H7_1 126.3 . . ?
C7_1 C8_1 N2_1 109.03(10) . . ?
C7_1 C8_1 C24_1 125.27(11) . . ?
N2_1 C8_1 C24_1 125.69(10) . . ?
C1_1 C9_1 C10_1 113.55(9) . . ?
C1_1 C9_1 C26_1 107.90(10) . . ?
C10_1 C9_1 C26_1 107.81(10) . . ?
C1_1 C9_1 C27_1 109.75(10) . . ?
C10_1 C9_1 C27_1 110.90(10) . . ?
C26_1 C9_1 C27_1 106.63(10) . . ?
C13_1 C10_1 N3_1 109.06(10) . . ?
C13_1 C10_1 C9_1 125.62(10) . . ?
N3_1 C10_1 C9_1 125.31(10) . . ?
C12_1 C11_1 N3_1 109.91(10) . . ?
C12_1 C11_1 C28_1 128.85(11) . . ?
N3_1 C11_1 C28_1 121.18(10) . . ?
C11_1 C12_1 C13_1 106.77(10) . . ?
C11_1 C12_1 H12_1 126.6 . . ?
C13_1 C12_1 H12_1 126.6 . . ?
C10_1 C13_1 C12_1 107.50(10) . . ?
C10_1 C13_1 H13_1 126.3 . . ?
C12_1 C13_1 H13_1 126.3 . . ?
C4_1 C14_1 C5_1 112.36(9) . . ?
C4_1 C14_1 C15_1 109.74(10) . . ?
C5_1 C14_1 C15_1 109.60(10) . . ?
C4_1 C14_1 C30_1 107.97(10) . . ?
C5_1 C14_1 C30_1 109.03(10) . . ?
C15_1 C14_1 C30_1 108.03(9) . . ?
C14_1 C15_1 H15A_1 109.5 . . ?
C14_1 C15_1 H15B_1 109.5 . . ?
H15A_1 C15_1 H15B_1 109.5 . . ?
C14_1 C15_1 H15C_1 109.5 . . ?
H15A_1 C15_1 H15C_1 109.5 . . ?
H15B_1 C15_1 H15C_1 109.5 . . ?
C17_1 C16_1 N4_1 109.29(10) . . ?
C17_1 C16_1 C24_1 125.16(11) . . ?
N4_1 C16_1 C24_1 125.41(10) . . ?
C16_1 C17_1 C18_1 107.24(10) . . ?
C16_1 C17_1 H17_1 126.4 . . ?
C18_1 C17_1 H17_1 126.4 . . ?
C19_1 C18_1 C17_1 106.83(10) . . ?
C19_1 C18_1 H18_1 126.6 . . ?
C17_1 C18_1 H18_1 126.6 . . ?
C18_1 C19_1 N4_1 110.03(10) . . ?
C18_1 C19_1 C28_1 129.57(11) . . ?
N4_1 C19_1 C28_1 120.23(10) . . ?
O1_1 C20_1 C21_1 105.04(10) . . ?
O1_1 C20_1 H20A_1 110.7 . . ?
C21_1 C20_1 H20A_1 110.7 . . ?
O1_1 C20_1 H20B_1 110.7 . . ?
C21_1 C20_1 H20B_1 110.7 . . ?
H20A_1 C20_1 H20B_1 108.8 . . ?
C22_1 C21_1 C20_1 103.24(10) . . ?
C22_1 C21_1 H21A_1 111.1 . . ?
C20_1 C21_1 H21A_1 111.1 . . ?
C22_1 C21_1 H21B_1 111.1 . . ?
C20_1 C21_1 H21B_1 111.1 . . ?
H21A_1 C21_1 H21B_1 109.1 . . ?
C23_1 C22_1 C21_1 103.46(10) . . ?
C23_1 C22_1 H22A_1 111.1 . . ?
C21_1 C22_1 H22A_1 111.1 . . ?
C23_1 C22_1 H22B_1 111.1 . . ?
C21_1 C22_1 H22B_1 111.1 . . ?
H22A_1 C22_1 H22B_1 109.0 . . ?
O1_1 C23_1 C22_1 104.04(9) . . ?
O1_1 C23_1 H23A_1 110.9 . . ?
C22_1 C23_1 H23A_1 110.9 . . ?
O1_1 C23_1 H23B_1 110.9 . . ?
C22_1 C23_1 H23B_1 110.9 . . ?
H23A_1 C23_1 H23B_1 109.0 . . ?
C8_1 C24_1 C16_1 114.64(9) . . ?
C8_1 C24_1 C25_1 110.41(10) . . ?
C16_1 C24_1 C25_1 110.02(10) . . ?
C8_1 C24_1 C31_1 107.05(10) . . ?
C16_1 C24_1 C31_1 107.58(9) . . ?
C25_1 C24_1 C31_1 106.76(9) . . ?
C24_1 C25_1 H25A_1 109.5 . . ?
C24_1 C25_1 H25B_1 109.5 . . ?
H25A_1 C25_1 H25B_1 109.5 . . ?
C24_1 C25_1 H25C_1 109.5 . . ?
H25A_1 C25_1 H25C_1 109.5 . . ?
H25B_1 C25_1 H25C_1 109.5 . . ?
C9_1 C26_1 H26A_1 109.5 . . ?
C9_1 C26_1 H26B_1 109.5 . . ?
H26A_1 C26_1 H26B_1 109.5 . . ?
C9_1 C26_1 H26C_1 109.5 . . ?
H26A_1 C26_1 H26C_1 109.5 . . ?
H26B_1 C26_1 H26C_1 109.5 . . ?
C9_1 C27_1 H27A_1 109.5 . . ?
C9_1 C27_1 H27B_1 109.5 . . ?
H27A_1 C27_1 H27B_1 109.5 . . ?
C9_1 C27_1 H27C_1 109.5 . . ?
H27A_1 C27_1 H27C_1 109.5 . . ?
H27B_1 C27_1 H27C_1 109.5 . . ?
C19_1 C28_1 C11_1 110.08(9) . . ?
C19_1 C28_1 C29_1 109.96(10) . . ?
C11_1 C28_1 C29_1 109.87(10) . . ?
C19_1 C28_1 C32_1 109.12(10) . . ?
C11_1 C28_1 C32_1 109.80(10) . . ?
C29_1 C28_1 C32_1 107.97(10) . . ?
C28_1 C29_1 H29A_1 109.5 . . ?
C28_1 C29_1 H29B_1 109.5 . . ?
H29A_1 C29_1 H29B_1 109.5 . . ?
C28_1 C29_1 H29C_1 109.5 . . ?
H29A_1 C29_1 H29C_1 109.5 . . ?
H29B_1 C29_1 H29C_1 109.5 . . ?
C14_1 C30_1 H30A_1 109.5 . . ?
C14_1 C30_1 H30B_1 109.5 . . ?
H30A_1 C30_1 H30B_1 109.5 . . ?
C14_1 C30_1 H30C_1 109.5 . . ?
H30A_1 C30_1 H30C_1 109.5 . . ?
H30B_1 C30_1 H30C_1 109.5 . . ?
C24_1 C31_1 H31A_1 109.5 . . ?
C24_1 C31_1 H31B_1 109.5 . . ?
H31A_1 C31_1 H31B_1 109.5 . . ?
C24_1 C31_1 H31C_1 109.5 . . ?
H31A_1 C31_1 H31C_1 109.5 . . ?
H31B_1 C31_1 H31C_1 109.5 . . ?
C28_1 C32_1 H32A_1 109.5 . . ?
C28_1 C32_1 H32B_1 109.5 . . ?
H32A_1 C32_1 H32B_1 109.5 . . ?
C28_1 C32_1 H32C_1 109.5 . . ?
H32A_1 C32_1 H32C_1 109.5 . . ?
H32B_1 C32_1 H32C_1 109.5 . . ?
C7_2 P1_2 C13_2 110.07(6) . . ?
C7_2 P1_2 C1_2 106.00(5) . . ?
C13_2 P1_2 C1_2 112.09(6) . . ?
C7_2 P1_2 C19_2 110.26(6) . . ?
C13_2 P1_2 C19_2 106.39(6) . . ?
C1_2 P1_2 C19_2 112.08(6) . . ?
C6_2 C1_2 C2_2 120.61(11) . . ?
C6_2 C1_2 P1_2 122.36(9) . . ?
C2_2 C1_2 P1_2 116.95(9) . . ?
C3_2 C2_2 C1_2 119.46(11) . . ?
C3_2 C2_2 H2_2 120.3 . . ?
C1_2 C2_2 H2_2 120.3 . . ?
C2_2 C3_2 C4_2 119.84(11) . . ?
C2_2 C3_2 H3_2 120.1 . . ?
C4_2 C3_2 H3_2 120.1 . . ?
C5_2 C4_2 C3_2 120.78(11) . . ?
C5_2 C4_2 H4_2 119.6 . . ?
C3_2 C4_2 H4_2 119.6 . . ?
C6_2 C5_2 C4_2 120.06(11) . . ?
C6_2 C5_2 H5_2 120.0 . . ?
C4_2 C5_2 H5_2 120.0 . . ?
C5_2 C6_2 C1_2 119.25(11) . . ?
C5_2 C6_2 H6_2 120.4 . . ?
C1_2 C6_2 H6_2 120.4 . . ?
C12_2 C7_2 C8_2 120.37(11) . . ?
C12_2 C7_2 P1_2 122.17(10) . . ?
C8_2 C7_2 P1_2 117.44(9) . . ?
C9_2 C8_2 C7_2 119.81(11) . . ?
C9_2 C8_2 H8_2 120.1 . . ?
C7_2 C8_2 H8_2 120.1 . . ?
C10_2 C9_2 C8_2 119.67(12) . . ?
C10_2 C9_2 H9_2 120.2 . . ?
C8_2 C9_2 H9_2 120.2 . . ?
C11_2 C10_2 C9_2 120.73(12) . . ?
C11_2 C10_2 H10_2 119.6 . . ?
C9_2 C10_2 H10_2 119.6 . . ?
C10_2 C11_2 C12_2 120.20(12) . . ?
C10_2 C11_2 H11_2 119.9 . . ?
C12_2 C11_2 H11_2 119.9 . . ?
C7_2 C12_2 C11_2 119.23(12) . . ?
C7_2 C12_2 H12_2 120.4 . . ?
C11_2 C12_2 H12_2 120.4 . . ?
C14_2 C13_2 C18_2 120.27(12) . . ?
C14_2 C13_2 P1_2 120.60(9) . . ?
C18_2 C13_2 P1_2 119.04(10) . . ?
C13_2 C14_2 C15_2 119.55(12) . . ?
C13_2 C14_2 H14_2 120.2 . . ?
C15_2 C14_2 H14_2 120.2 . . ?
C16_2 C15_2 C14_2 120.02(13) . . ?
C16_2 C15_2 H15_2 120.0 . . ?
C14_2 C15_2 H15_2 120.0 . . ?
C17_2 C16_2 C15_2 120.30(12) . . ?
C17_2 C16_2 H16_2 119.9 . . ?
C15_2 C16_2 H16_2 119.9 . . ?
C16_2 C17_2 C18_2 120.49(13) . . ?
C16_2 C17_2 H17_2 119.8 . . ?
C18_2 C17_2 H17_2 119.8 . . ?
C17_2 C18_2 C13_2 119.36(13) . . ?
C17_2 C18_2 H18_2 120.3 . . ?
C13_2 C18_2 H18_2 120.3 . . ?
C24_2 C19_2 C20_2 120.14(12) . . ?
C24_2 C19_2 P1_2 121.38(10) . . ?
C20_2 C19_2 P1_2 118.46(10) . . ?
C21_2 C20_2 C19_2 119.80(12) . . ?
C21_2 C20_2 H20_2 120.1 . . ?
C19_2 C20_2 H20_2 120.1 . . ?
C22_2 C21_2 C20_2 119.92(12) . . ?
C22_2 C21_2 H21_2 120.0 . . ?
C20_2 C21_2 H21_2 120.0 . . ?
C21_2 C22_2 C23_2 120.40(12) . . ?
C21_2 C22_2 H22_2 119.8 . . ?
C23_2 C22_2 H22_2 119.8 . . ?
C22_2 C23_2 C24_2 120.45(13) . . ?
C22_2 C23_2 H23_2 119.8 . . ?
C24_2 C23_2 H23_2 119.8 . . ?
C19_2 C24_2 C23_2 119.28(12) . . ?
C19_2 C24_2 H24_2 120.4 . . ?
C23_2 C24_2 H24_2 120.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4_1 N1_1 C1_1 C2_1 1.39(13) . . . . ?
Ga1_1 N1_1 C1_1 C2_1 -170.66(9) . . . . ?
C4_1 N1_1 C1_1 C9_1 -179.74(11) . . . . ?
Ga1_1 N1_1 C1_1 C9_1 8.21(16) . . . . ?
N1_1 C1_1 C2_1 C3_1 -1.23(15) . . . . ?
C9_1 C1_1 C2_1 C3_1 179.92(11) . . . . ?
C1_1 C2_1 C3_1 C4_1 0.57(15) . . . . ?
C2_1 C3_1 C4_1 N1_1 0.29(14) . . . . ?
C2_1 C3_1 C4_1 C14_1 -170.15(12) . . . . ?
C1_1 N1_1 C4_1 C3_1 -1.03(13) . . . . ?
Ga1_1 N1_1 C4_1 C3_1 170.90(8) . . . . ?
C1_1 N1_1 C4_1 C14_1 170.18(10) . . . . ?
Ga1_1 N1_1 C4_1 C14_1 -17.89(15) . . . . ?
C8_1 N2_1 C5_1 C6_1 0.96(12) . . . . ?
Ga1_1 N2_1 C5_1 C6_1 -172.92(8) . . . . ?
C8_1 N2_1 C5_1 C14_1 -172.63(10) . . . . ?
Ga1_1 N2_1 C5_1 C14_1 13.49(15) . . . . ?
N2_1 C5_1 C6_1 C7_1 -0.39(13) . . . . ?
C14_1 C5_1 C6_1 C7_1 172.70(11) . . . . ?
C5_1 C6_1 C7_1 C8_1 -0.34(13) . . . . ?
C6_1 C7_1 C8_1 N2_1 0.94(13) . . . . ?
C6_1 C7_1 C8_1 C24_1 -178.63(10) . . . . ?
C5_1 N2_1 C8_1 C7_1 -1.17(12) . . . . ?
Ga1_1 N2_1 C8_1 C7_1 172.80(8) . . . . ?
C5_1 N2_1 C8_1 C24_1 178.40(10) . . . . ?
Ga1_1 N2_1 C8_1 C24_1 -7.63(15) . . . . ?
C2_1 C1_1 C9_1 C10_1 -153.44(12) . . . . ?
N1_1 C1_1 C9_1 C10_1 27.88(16) . . . . ?
C2_1 C1_1 C9_1 C26_1 -34.00(16) . . . . ?
N1_1 C1_1 C9_1 C26_1 147.32(11) . . . . ?
C2_1 C1_1 C9_1 C27_1 81.81(15) . . . . ?
N1_1 C1_1 C9_1 C27_1 -96.87(13) . . . . ?
C11_1 N3_1 C10_1 C13_1 -0.89(13) . . . . ?
Ga1_1 N3_1 C10_1 C13_1 165.67(8) . . . . ?
C11_1 N3_1 C10_1 C9_1 179.74(10) . . . . ?
Ga1_1 N3_1 C10_1 C9_1 -13.70(15) . . . . ?
C1_1 C9_1 C10_1 C13_1 155.88(11) . . . . ?
C26_1 C9_1 C10_1 C13_1 36.40(16) . . . . ?
C27_1 C9_1 C10_1 C13_1 -79.99(15) . . . . ?
C1_1 C9_1 C10_1 N3_1 -24.85(16) . . . . ?
C26_1 C9_1 C10_1 N3_1 -144.33(11) . . . . ?
C27_1 C9_1 C10_1 N3_1 99.28(13) . . . . ?
C10_1 N3_1 C11_1 C12_1 0.71(13) . . . . ?
Ga1_1 N3_1 C11_1 C12_1 -165.39(8) . . . . ?
C10_1 N3_1 C11_1 C28_1 -176.80(10) . . . . ?
Ga1_1 N3_1 C11_1 C28_1 17.11(15) . . . . ?
N3_1 C11_1 C12_1 C13_1 -0.26(14) . . . . ?
C28_1 C11_1 C12_1 C13_1 176.99(11) . . . . ?
N3_1 C10_1 C13_1 C12_1 0.73(13) . . . . ?
C9_1 C10_1 C13_1 C12_1 -179.90(11) . . . . ?
C11_1 C12_1 C13_1 C10_1 -0.29(14) . . . . ?
C3_1 C4_1 C14_1 C5_1 -141.62(12) . . . . ?
N1_1 C4_1 C14_1 C5_1 48.92(14) . . . . ?
C3_1 C4_1 C14_1 C15_1 -19.41(17) . . . . ?
N1_1 C4_1 C14_1 C15_1 171.13(10) . . . . ?
C3_1 C4_1 C14_1 C30_1 98.11(14) . . . . ?
N1_1 C4_1 C14_1 C30_1 -71.35(13) . . . . ?
C6_1 C5_1 C14_1 C4_1 140.98(12) . . . . ?
N2_1 C5_1 C14_1 C4_1 -46.69(14) . . . . ?
C6_1 C5_1 C14_1 C15_1 18.69(16) . . . . ?
N2_1 C5_1 C14_1 C15_1 -168.98(10) . . . . ?
C6_1 C5_1 C14_1 C30_1 -99.37(14) . . . . ?
N2_1 C5_1 C14_1 C30_1 72.97(13) . . . . ?
C19_1 N4_1 C16_1 C17_1 1.69(12) . . . . ?
Ga1_1 N4_1 C16_1 C17_1 -149.46(8) . . . . ?
C19_1 N4_1 C16_1 C24_1 -174.24(10) . . . . ?
Ga1_1 N4_1 C16_1 C24_1 34.61(14) . . . . ?
N4_1 C16_1 C17_1 C18_1 -1.35(13) . . . . ?
C24_1 C16_1 C17_1 C18_1 174.59(10) . . . . ?
C16_1 C17_1 C18_1 C19_1 0.48(13) . . . . ?
C17_1 C18_1 C19_1 N4_1 0.57(13) . . . . ?
C17_1 C18_1 C19_1 C28_1 -174.65(11) . . . . ?
C16_1 N4_1 C19_1 C18_1 -1.39(12) . . . . ?
Ga1_1 N4_1 C19_1 C18_1 148.77(8) . . . . ?
C16_1 N4_1 C19_1 C28_1 174.35(10) . . . . ?
Ga1_1 N4_1 C19_1 C28_1 -35.50(14) . . . . ?
C23_1 O1_1 C20_1 C21_1 -6.61(13) . . . . ?
Ga1_1 O1_1 C20_1 C21_1 169.89(8) . . . . ?
O1_1 C20_1 C21_1 C22_1 26.61(12) . . . . ?
C20_1 C21_1 C22_1 C23_1 -36.38(12) . . . . ?
C20_1 O1_1 C23_1 C22_1 -16.25(12) . . . . ?
Ga1_1 O1_1 C23_1 C22_1 166.84(7) . . . . ?
C21_1 C22_1 C23_1 O1_1 32.42(12) . . . . ?
C7_1 C8_1 C24_1 C16_1 159.66(11) . . . . ?
N2_1 C8_1 C24_1 C16_1 -19.85(15) . . . . ?
C7_1 C8_1 C24_1 C25_1 -75.41(14) . . . . ?
N2_1 C8_1 C24_1 C25_1 105.08(12) . . . . ?
C7_1 C8_1 C24_1 C31_1 40.43(15) . . . . ?
N2_1 C8_1 C24_1 C31_1 -139.08(11) . . . . ?
C17_1 C16_1 C24_1 C8_1 -170.06(11) . . . . ?
N4_1 C16_1 C24_1 C8_1 5.24(15) . . . . ?
C17_1 C16_1 C24_1 C25_1 64.81(14) . . . . ?
N4_1 C16_1 C24_1 C25_1 -119.89(12) . . . . ?
C17_1 C16_1 C24_1 C31_1 -51.13(15) . . . . ?
N4_1 C16_1 C24_1 C31_1 124.17(11) . . . . ?
C18_1 C19_1 C28_1 C11_1 -124.57(13) . . . . ?
N4_1 C19_1 C28_1 C11_1 60.63(13) . . . . ?
C18_1 C19_1 C28_1 C29_1 -3.39(17) . . . . ?
N4_1 C19_1 C28_1 C29_1 -178.19(10) . . . . ?
C18_1 C19_1 C28_1 C32_1 114.86(13) . . . . ?
N4_1 C19_1 C28_1 C32_1 -59.94(13) . . . . ?
C12_1 C11_1 C28_1 C19_1 132.68(12) . . . . ?
N3_1 C11_1 C28_1 C19_1 -50.33(14) . . . . ?
C12_1 C11_1 C28_1 C29_1 11.45(17) . . . . ?
N3_1 C11_1 C28_1 C29_1 -171.57(10) . . . . ?
C12_1 C11_1 C28_1 C32_1 -107.16(14) . . . . ?
N3_1 C11_1 C28_1 C32_1 69.82(13) . . . . ?
C7_2 P1_2 C1_2 C6_2 -134.56(10) . . . . ?
C13_2 P1_2 C1_2 C6_2 -14.46(12) . . . . ?
C19_2 P1_2 C1_2 C6_2 105.10(11) . . . . ?
C7_2 P1_2 C1_2 C2_2 42.21(11) . . . . ?
C13_2 P1_2 C1_2 C2_2 162.31(9) . . . . ?
C19_2 P1_2 C1_2 C2_2 -78.13(10) . . . . ?
C6_2 C1_2 C2_2 C3_2 0.23(18) . . . . ?
P1_2 C1_2 C2_2 C3_2 -176.60(9) . . . . ?
C1_2 C2_2 C3_2 C4_2 0.21(18) . . . . ?
C2_2 C3_2 C4_2 C5_2 -0.20(19) . . . . ?
C3_2 C4_2 C5_2 C6_2 -0.25(19) . . . . ?
C4_2 C5_2 C6_2 C1_2 0.68(18) . . . . ?
C2_2 C1_2 C6_2 C5_2 -0.67(18) . . . . ?
P1_2 C1_2 C6_2 C5_2 175.98(9) . . . . ?
C13_2 P1_2 C7_2 C12_2 109.30(11) . . . . ?
C1_2 P1_2 C7_2 C12_2 -129.28(11) . . . . ?
C19_2 P1_2 C7_2 C12_2 -7.77(12) . . . . ?
C13_2 P1_2 C7_2 C8_2 -72.36(10) . . . . ?
C1_2 P1_2 C7_2 C8_2 49.06(11) . . . . ?
C19_2 P1_2 C7_2 C8_2 170.57(9) . . . . ?
C12_2 C7_2 C8_2 C9_2 0.25(18) . . . . ?
P1_2 C7_2 C8_2 C9_2 -178.12(9) . . . . ?
C7_2 C8_2 C9_2 C10_2 0.17(18) . . . . ?
C8_2 C9_2 C10_2 C11_2 -0.47(19) . . . . ?
C9_2 C10_2 C11_2 C12_2 0.3(2) . . . . ?
C8_2 C7_2 C12_2 C11_2 -0.37(19) . . . . ?
P1_2 C7_2 C12_2 C11_2 177.92(10) . . . . ?
C10_2 C11_2 C12_2 C7_2 0.1(2) . . . . ?
C7_2 P1_2 C13_2 C14_2 2.54(12) . . . . ?
C1_2 P1_2 C13_2 C14_2 -115.17(10) . . . . ?
C19_2 P1_2 C13_2 C14_2 122.00(10) . . . . ?
C7_2 P1_2 C13_2 C18_2 -173.86(10) . . . . ?
C1_2 P1_2 C13_2 C18_2 68.43(11) . . . . ?
C19_2 P1_2 C13_2 C18_2 -54.40(11) . . . . ?
C18_2 C13_2 C14_2 C15_2 0.95(18) . . . . ?
P1_2 C13_2 C14_2 C15_2 -175.41(9) . . . . ?
C13_2 C14_2 C15_2 C16_2 -0.32(19) . . . . ?
C14_2 C15_2 C16_2 C17_2 -0.8(2) . . . . ?
C15_2 C16_2 C17_2 C18_2 1.2(2) . . . . ?
C16_2 C17_2 C18_2 C13_2 -0.6(2) . . . . ?
C14_2 C13_2 C18_2 C17_2 -0.49(19) . . . . ?
P1_2 C13_2 C18_2 C17_2 175.93(10) . . . . ?
C7_2 P1_2 C19_2 C24_2 -93.64(12) . . . . ?
C13_2 P1_2 C19_2 C24_2 147.03(11) . . . . ?
C1_2 P1_2 C19_2 C24_2 24.19(13) . . . . ?
C7_2 P1_2 C19_2 C20_2 84.73(11) . . . . ?
C13_2 P1_2 C19_2 C20_2 -34.60(12) . . . . ?
C1_2 P1_2 C19_2 C20_2 -157.44(10) . . . . ?
C24_2 C19_2 C20_2 C21_2 -0.1(2) . . . . ?
P1_2 C19_2 C20_2 C21_2 -178.53(10) . . . . ?
C19_2 C20_2 C21_2 C22_2 0.9(2) . . . . ?
C20_2 C21_2 C22_2 C23_2 -0.8(2) . . . . ?
C21_2 C22_2 C23_2 C24_2 -0.1(2) . . . . ?
C20_2 C19_2 C24_2 C23_2 -0.8(2) . . . . ?
P1_2 C19_2 C24_2 C23_2 177.59(11) . . . . ?
C22_2 C23_2 C24_2 C19_2 0.9(2) . . . . ?

