#------------------------------------------------------------------------------
#$Date: 2015-08-08 04:53:39 +0300 (Sat, 08 Aug 2015) $
#$Revision: 153145 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/56/7035618.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7035618
loop_
_publ_author_name
'Luan, Lindong'
'Yang, Meng'
'Bian, Yixuan'
'Lin, Zhien'
'Huang, Hui'
_publ_section_title
;
 Solvent-free synthesis of new metal phosphate-oxalates: influence of
 different metal ions on the framework structures.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13485
_journal_page_last               13489
_journal_paper_doi               10.1039/c5dt01613d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         '0.5(C8 H16 Ga8 O76 P14), 2(C4 H14 N2)'
_chemical_formula_sum            'C12 H41 Ga4 N4 O38 P7'
_chemical_formula_weight         1345.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2015-06-27
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-06-27 deposited with the CCDC.
2015-07-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.2293(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.21517(5)
_cell_length_b                   18.83913(15)
_cell_length_c                   16.65678(13)
_cell_measurement_reflns_used    10276
_cell_measurement_temperature    293
_cell_measurement_theta_max      72.5860
_cell_measurement_theta_min      4.6790
_cell_volume                     1948.84(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
  1 omega  -33.00  106.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421    0.0000  120.0000 139

  2 omega   10.00  104.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421   77.0000  -90.0000 94

  3 omega  -31.00   53.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421  -57.0000  -60.0000 84

  4 omega   20.00  104.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421   57.0000 -180.0000 84

  5 omega   23.00   90.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421 -125.0000  -60.0000 67

  6 omega   10.00  104.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421   77.0000   60.0000 94

  7 omega   23.00   90.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421 -125.0000  150.0000 67

  8 omega  -31.00   53.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421  -57.0000 -150.0000 84

  9 omega   38.00   91.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000 -150.0000 53

 10 omega   39.00  109.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000 -180.0000 70

 11 omega   91.00  176.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   45.0000   30.0000 85

 12 omega   38.00   91.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000  -30.0000 53

 13 omega   41.00  126.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -61.0000 -180.0000 85

 14 omega   40.00   98.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000   30.0000 58

 15 omega   70.00  178.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   15.0000  -90.0000 108

 16 omega  100.00  178.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  111.0000  -90.0000 78

 17 omega   57.00  150.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  178.0000 -120.0000 93

 18 omega   91.00  177.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  129.0000   54.0000 86

 19 omega   39.00  109.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -94.0000  -60.0000 70

 20 omega   40.00   98.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -45.0000  -90.0000 58

 21 omega   41.00  126.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -61.0000  -60.0000 85

 22 omega   90.00  175.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   61.0000  -30.0000 85

 23 omega   38.00   91.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -30.0000   90.0000 53

 24 omega   38.00  116.00   1.0000    4.4000
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000   60.0000 78

 25 omega   10.00  104.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421   77.0000  -30.0000 94

 26 omega   10.00  104.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421   77.0000 -180.0000 94

 27 omega  -31.00   53.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421  -57.0000  120.0000 84

 28 omega   10.00  104.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421   77.0000   90.0000 94

 29 omega  -33.00   55.00   1.0000    1.1000
omega____ theta____ kappa____ phi______ frames
    -       36.5421  -38.0000   30.0000 88
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0141809000
_diffrn_orient_matrix_UB_12      0.0776276000
_diffrn_orient_matrix_UB_13      -0.0283704000
_diffrn_orient_matrix_UB_21      -0.0092068000
_diffrn_orient_matrix_UB_22      0.0254712000
_diffrn_orient_matrix_UB_23      0.0876776000
_diffrn_orient_matrix_UB_31      0.2475220000
_diffrn_orient_matrix_UB_32      -0.0035056000
_diffrn_orient_matrix_UB_33      0.0084871000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0927
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20197
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.069
_diffrn_reflns_theta_max         67.069
_diffrn_reflns_theta_min         4.694
_diffrn_source                   'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    7.109
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.292
_exptl_crystal_F_000             1348
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.094
_refine_diff_density_min         -0.877
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         3486
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0960P)²+4.1587P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1352
_refine_ls_wR_factor_ref         0.1377
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3323
_reflns_number_total             3486
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt01613d2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7035614--7035619.cif.'
_cod_database_code               7035618
_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.
;
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All N(H,H,H) groups, All O(H) groups
2. Others
 Fixed Sof: P4(0.5) O14(0.5) O15(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B)
3.b Me refined with riding coordinates:
 N1(H1A,H1B,H1C), N2(H2A,H2B,H2C)
3.c Tetrahedral OH refined with riding coordinates:
 O2(H2), O7(H7), O8(H8), O10(H10)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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'
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_occupancy
Ga1 Ga 0.76728(7) 0.44126(2) 0.59771(3) 0.00708(18) Uani 1 1 d . .
Ga2 Ga 0.71357(7) 0.65813(2) 0.88290(3) 0.01055(18) Uani 1 1 d . .
P1 P 0.74114(14) 0.55873(4) 0.44932(5) 0.0072(2) Uani 1 1 d . .
P2 P 0.83625(16) 0.53572(5) 0.76108(6) 0.0128(2) Uani 1 1 d . .
P3 P 0.22093(15) 0.69046(5) 0.92124(6) 0.0130(2) Uani 1 1 d . .
P4 P 0.8129(4) 0.53097(11) 1.01756(12) 0.0176(4) Uani 0.5 1 d . P
O1 O 0.7577(4) 0.49210(15) 0.49951(16) 0.0144(6) Uani 1 1 d . .
O2 O 0.7391(5) 0.62326(15) 0.50768(17) 0.0169(6) Uani 1 1 d . .
H2 H 0.7302 0.6601 0.4816 0.025 Uiso 1 1 calc R .
O3 O 0.5397(4) 0.55833(14) 0.39467(16) 0.0142(6) Uani 1 1 d . .
O4 O 0.9258(4) 0.56496(14) 0.39187(16) 0.0123(6) Uani 1 1 d . .
O5 O 0.7735(5) 0.51849(15) 0.67576(17) 0.0167(6) Uani 1 1 d . .
O6 O 0.6983(4) 0.59471(15) 0.79144(17) 0.0186(6) Uani 1 1 d . .
O7 O 0.8157(7) 0.46763(17) 0.8122(2) 0.0347(9) Uani 1 1 d . .
H7 H 0.8497 0.4765 0.8592 0.052 Uiso 1 1 calc R .
O8 O 1.0791(5) 0.55873(17) 0.7660(2) 0.0256(7) Uani 1 1 d . .
H8 H 1.1147 0.5683 0.8127 0.038 Uiso 1 1 calc R .
O9 O 0.4085(5) 0.6581(2) 0.8789(2) 0.0348(9) Uani 1 1 d . .
O10 O 0.2334(7) 0.6719(2) 1.0128(2) 0.0382(9) Uani 1 1 d . .
H10 H 0.2407 0.6288 1.0185 0.057 Uiso 1 1 calc R .
O11 O 0.0257(5) 0.65072(15) 0.88353(18) 0.0192(6) Uani 1 1 d . .
O12 O 0.2079(6) 0.76901(17) 0.9139(2) 0.0298(8) Uani 1 1 d . .
O13 O 0.7089(7) 0.58321(19) 0.9655(2) 0.0400(10) Uani 1 1 d . .
O14 O 0.8906(12) 0.4678(3) 0.9684(4) 0.0296(15) Uani 0.5 1 d . P
O15 O 0.9923(11) 0.5687(4) 1.0651(4) 0.0292(15) Uani 0.5 1 d . P
O16 O 0.6390(10) 0.5064(3) 1.0896(3) 0.0732(17) Uani 1 1 d . .
O17 O 0.7234(5) 0.74359(14) 0.80784(16) 0.0166(6) Uani 1 1 d . .
O18 O 0.7368(4) 0.86175(14) 0.81574(16) 0.0125(5) Uani 1 1 d . .
O19 O 0.7281(4) 0.73486(14) 0.96682(16) 0.0124(6) Uani 1 1 d . .
O20 O 0.7411(4) 0.85303(14) 0.97444(16) 0.0117(5) Uani 1 1 d . .
C1 C 0.7312(6) 0.8008(2) 0.8449(2) 0.0121(8) Uani 1 1 d . .
C2 C 0.7337(6) 0.7959(2) 0.9375(2) 0.0100(7) Uani 1 1 d . .
C3 C 0.7421(11) 0.6690(3) 0.2265(3) 0.0432(14) Uani 1 1 d . .
H3A H 0.8940 0.6705 0.2153 0.052 Uiso 1 1 calc R .
H3B H 0.7217 0.6954 0.2757 0.052 Uiso 1 1 calc R .
C4 C 0.6148(10) 0.7034(3) 0.1589(3) 0.0401(13) Uani 1 1 d . .
H4A H 0.4633 0.6928 0.1640 0.048 Uiso 1 1 calc R .
H4B H 0.6591 0.6838 0.1082 0.048 Uiso 1 1 calc R .
C5 C 0.6460(10) 0.7833(3) 0.1581(3) 0.0426(13) Uani 1 1 d . .
H5A H 0.5596 0.8029 0.1137 0.051 Uiso 1 1 calc R .
H5B H 0.5914 0.8027 0.2073 0.051 Uiso 1 1 calc R .
C6 C 0.8761(10) 0.8081(3) 0.1506(3) 0.0402(13) Uani 1 1 d . .
H6A H 0.9592 0.7961 0.1992 0.048 Uiso 1 1 calc R .
H6B H 0.9399 0.7839 0.1060 0.048 Uiso 1 1 calc R .
N1 N 0.6759(9) 0.5942(3) 0.2382(3) 0.0483(13) Uani 1 1 d . .
H1A H 0.7542 0.5753 0.2787 0.072 Uiso 1 1 calc R .
H1B H 0.5372 0.5927 0.2494 0.072 Uiso 1 1 calc R .
H1C H 0.6968 0.5697 0.1935 0.072 Uiso 1 1 calc R .
N2 N 0.8846(8) 0.8866(2) 0.1373(2) 0.0339(10) Uani 1 1 d . .
H2A H 1.0209 0.9001 0.1330 0.051 Uiso 1 1 calc R .
H2B H 0.8100 0.8975 0.0923 0.051 Uiso 1 1 calc R .
H2C H 0.8280 0.9089 0.1786 0.051 Uiso 1 1 calc R .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -1.2846 0.7763 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Ga1 O3 93.29(11) . 3_666
O1 Ga1 O4 96.14(11) . 3_766
O1 Ga1 O5 101.39(12) . .
O1 Ga1 O18 164.12(12) . 2_646
O1 Ga1 O20 84.53(11) . 2_646
O3 Ga1 O5 86.96(12) 3_666 .
O3 Ga1 O18 85.30(11) 3_666 2_646
O3 Ga1 O20 92.25(11) 3_666 2_646
O4 Ga1 O3 170.42(11) 3_766 3_666
O4 Ga1 O5 89.50(12) 3_766 .
O4 Ga1 O18 86.09(11) 3_766 2_646
O4 Ga1 O20 90.35(11) 3_766 2_646
O5 Ga1 O18 94.34(12) . 2_646
O5 Ga1 O20 174.06(11) . 2_646
O20 Ga1 O18 79.73(10) 2_646 2_646
O6 Ga2 O11 88.75(12) . 1_655
O6 Ga2 O13 96.08(14) . .
O6 Ga2 O17 90.37(12) . .
O6 Ga2 O19 172.15(12) . .
O9 Ga2 O6 87.34(13) . .
O9 Ga2 O11 175.52(13) . 1_655
O9 Ga2 O13 89.00(19) . .
O9 Ga2 O17 91.85(15) . .
O9 Ga2 O19 92.44(12) . .
O11 Ga2 O13 89.24(16) 1_655 .
O11 Ga2 O17 90.37(13) 1_655 .
O11 Ga2 O19 91.73(11) 1_655 .
O13 Ga2 O17 173.53(14) . .
O13 Ga2 O19 91.77(14) . .
O19 Ga2 O17 81.79(11) . .
O1 P1 O2 107.78(16) . .
O1 P1 O3 111.39(16) . .
O1 P1 O4 111.97(15) . .
O3 P1 O2 110.58(16) . .
O3 P1 O4 104.29(16) . .
O4 P1 O2 110.85(15) . .
O5 P2 O6 110.45(17) . .
O5 P2 O7 108.59(18) . .
O5 P2 O8 108.95(17) . .
O6 P2 O7 111.56(19) . .
O6 P2 O8 109.76(17) . .
O7 P2 O8 107.4(2) . .
O9 P3 O10 110.8(2) . .
O9 P3 O11 102.88(18) . .
O11 P3 O10 107.34(19) . .
O12 P3 O9 113.8(2) . .
O12 P3 O10 107.6(2) . .
O12 P3 O11 114.27(19) . .
O13 P4 P4 122.4(2) . 3_767
O13 P4 O14 110.5(3) . .
O13 P4 O14 119.2(3) . 3_767
O13 P4 O15 107.2(3) . .
O13 P4 O16 108.9(3) . .
O14 P4 P4 41.7(3) . 3_767
O14 P4 P4 33.5(2) 3_767 3_767
O14 P4 O14 75.2(4) . 3_767
O14 P4 O16 112.7(4) . .
O15 P4 P4 72.1(3) . 3_767
O15 P4 O14 38.7(3) . 3_767
O15 P4 O14 113.7(4) . .
O15 P4 O16 103.4(3) . .
O16 P4 P4 127.7(3) . 3_767
O16 P4 O14 124.6(3) . 3_767
P1 O1 Ga1 153.88(19) . .
P1 O2 H2 109.5 . .
P1 O3 Ga1 139.42(17) . 3_666
P1 O4 Ga1 135.21(17) . 3_766
P2 O5 Ga1 142.51(19) . .
P2 O6 Ga2 135.24(18) . .
P2 O7 H7 109.5 . .
P2 O8 H8 109.5 . .
P3 O9 Ga2 140.4(2) . .
P3 O10 H10 109.5 . .
P3 O11 Ga2 137.55(18) . 1_455
P4 O13 Ga2 152.4(3) . .
P4 O14 P4 104.8(4) . 3_767
O15 O14 P4 55.1(4) 3_767 3_767
O15 O14 P4 159.0(7) 3_767 .
O14 O15 P4 86.2(6) 3_767 .
C1 O17 Ga2 112.5(2) . .
C1 O18 Ga1 113.1(2) . 2_656
C2 O19 Ga2 113.0(2) . .
C2 O20 Ga1 114.4(2) . 2_656
O17 C1 O18 127.3(3) . .
O17 C1 C2 116.2(3) . .
O18 C1 C2 116.4(3) . .
O19 C2 C1 116.5(3) . .
O20 C2 O19 127.2(3) . .
O20 C2 C1 116.3(3) . .
H3A C3 H3B 108.0 . .
C4 C3 H3A 109.3 . .
C4 C3 H3B 109.3 . .
N1 C3 H3A 109.3 . .
N1 C3 H3B 109.3 . .
N1 C3 C4 111.6(5) . .
C3 C4 H4A 109.3 . .
C3 C4 H4B 109.3 . .
C3 C4 C5 111.8(5) . .
H4A C4 H4B 107.9 . .
C5 C4 H4A 109.3 . .
C5 C4 H4B 109.3 . .
C4 C5 H5A 108.4 . .
C4 C5 H5B 108.4 . .
H5A C5 H5B 107.5 . .
C6 C5 C4 115.3(5) . .
C6 C5 H5A 108.4 . .
C6 C5 H5B 108.4 . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 108.1 . .
N2 C6 C5 110.8(5) . .
N2 C6 H6A 109.5 . .
N2 C6 H6B 109.5 . .
C3 N1 H1A 109.5 . .
C3 N1 H1B 109.5 . .
C3 N1 H1C 109.5 . .
H1A N1 H1B 109.5 . .
H1A N1 H1C 109.5 . .
H1B N1 H1C 109.5 . .
C6 N2 H2A 109.5 . .
C6 N2 H2B 109.5 . .
C6 N2 H2C 109.5 . .
H2A N2 H2B 109.5 . .
H2A N2 H2C 109.5 . .
H2B N2 H2C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga1 O1 1.894(3) .
Ga1 O3 1.917(3) 3_666
Ga1 O4 1.913(3) 3_766
Ga1 O5 1.950(3) .
Ga1 O18 2.080(3) 2_646
Ga1 O20 2.051(3) 2_646
Ga2 O6 1.935(3) .
Ga2 O9 1.895(3) .
Ga2 O11 1.945(3) 1_655
Ga2 O13 1.972(3) .
Ga2 O17 2.041(3) .
Ga2 O19 2.011(3) .
P1 O1 1.510(3) .
P1 O2 1.557(3) .
P1 O3 1.519(3) .
P1 O4 1.527(3) .
P2 O5 1.495(3) .
P2 O6 1.503(3) .
P2 O7 1.547(3) .
P2 O8 1.570(3) .
P3 O9 1.514(3) .
P3 O10 1.564(4) .
P3 O11 1.539(3) .
P3 O12 1.487(3) .
P4 P4 2.687(4) 3_767
P4 O13 1.447(4) .
P4 O14 1.848(8) 3_767
P4 O14 1.534(7) .
P4 O15 1.519(7) .
P4 O16 1.710(6) .
O2 H2 0.8200 .
O3 Ga1 1.917(3) 3_666
O4 Ga1 1.912(3) 3_766
O7 H7 0.8200 .
O8 H8 0.8200 .
O10 H10 0.8200 .
O11 Ga2 1.945(3) 1_455
O14 P4 1.848(7) 3_767
O14 O15 1.159(10) 3_767
O15 O14 1.159(10) 3_767
O17 C1 1.243(5) .
O18 Ga1 2.080(3) 2_656
O18 C1 1.247(5) .
O19 C2 1.251(5) .
O20 Ga1 2.051(3) 2_656
O20 C2 1.240(5) .
C1 C2 1.544(5) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C3 C4 1.499(8) .
C3 N1 1.483(8) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C4 C5 1.519(8) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C5 C6 1.514(9) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C6 N2 1.497(7) .
N1 H1A 0.8900 .
N1 H1B 0.8900 .
N1 H1C 0.8900 .
N2 H2A 0.8900 .
N2 H2B 0.8900 .
N2 H2C 0.8900 .
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_4
Ga1 O18 C1 O17 176.9(3) 2_656 .
Ga1 O18 C1 C2 -2.9(4) 2_656 .
Ga1 O20 C2 O19 -177.0(3) 2_656 .
Ga1 O20 C2 C1 3.0(4) 2_656 .
Ga2 O17 C1 O18 -179.4(3) . .
Ga2 O17 C1 C2 0.4(4) . .
Ga2 O19 C2 O20 179.3(3) . .
Ga2 O19 C2 C1 -0.7(4) . .
P4 P4 O13 Ga2 -25.9(7) 3_767 .
P4 P4 O14 O15 -15.5(16) 3_767 3_767
P4 P4 O15 O14 3.9(4) 3_767 3_767
O1 P1 O3 Ga1 64.2(3) . 3_666
O1 P1 O4 Ga1 -50.8(3) . 3_766
O2 P1 O1 Ga1 4.7(5) . .
O2 P1 O3 Ga1 -55.6(3) . 3_666
O2 P1 O4 Ga1 69.6(3) . 3_766
O3 Ga1 O1 P1 81.5(4) 3_666 .
O3 P1 O1 Ga1 -116.8(4) . .
O3 P1 O4 Ga1 -171.3(2) . 3_766
O4 Ga1 O1 P1 -96.8(4) 3_766 .
O4 P1 O1 Ga1 126.9(4) . .
O4 P1 O3 Ga1 -174.8(2) . 3_666
O5 Ga1 O1 P1 -6.0(4) . .
O5 P2 O6 Ga2 -165.0(2) . .
O6 Ga2 O9 P3 -178.9(4) . .
O6 P2 O5 Ga1 -151.6(3) . .
O7 P2 O5 Ga1 -29.0(4) . .
O7 P2 O6 Ga2 74.1(3) . .
O8 P2 O5 Ga1 87.8(3) . .
O8 P2 O6 Ga2 -44.9(3) . .
O9 P3 O11 Ga2 -170.0(3) . 1_455
O10 P3 O9 Ga2 -57.5(5) . .
O10 P3 O11 Ga2 73.1(3) . 1_455
O11 P3 O9 Ga2 -172.0(4) . .
O12 P3 O9 Ga2 63.8(5) . .
O12 P3 O11 Ga2 -46.1(4) . 1_455
O13 Ga2 O9 P3 85.0(4) . .
O13 P4 O14 P4 116.1(3) . 3_767
O13 P4 O14 O15 100.6(18) . 3_767
O13 P4 O15 O14 -115.4(5) . 3_767
O14 P4 O13 Ga2 13.1(7) 3_767 .
O14 P4 O13 Ga2 -71.0(7) . .
O14 P4 O14 P4 -0.001(1) 3_767 3_767
O14 P4 O14 O15 -15.5(16) 3_767 3_767
O14 P4 O15 O14 7.1(7) . 3_767
O15 P4 O13 Ga2 53.4(7) . .
O15 P4 O14 P4 -4.6(5) . 3_767
O15 P4 O14 O15 -20(2) . 3_767
O16 P4 O13 Ga2 164.7(5) . .
O16 P4 O14 P4 -121.8(3) . 3_767
O16 P4 O14 O15 -137.3(17) . 3_767
O16 P4 O15 O14 129.6(5) . 3_767
O17 Ga2 O9 P3 -88.6(4) . .
O17 C1 C2 O19 0.1(5) . .
O17 C1 C2 O20 -179.9(3) . .
O18 Ga1 O1 P1 165.9(3) 2_646 .
O18 C1 C2 O19 180.0(3) . .
O18 C1 C2 O20 0.0(5) . .
O19 Ga2 O9 P3 -6.8(4) . .
O20 Ga1 O1 P1 173.5(4) 2_646 .
C3 C4 C5 C6 58.7(7) . .
C4 C5 C6 N2 171.0(4) . .
N1 C3 C4 C5 167.6(5) . .
