#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/12/2211286.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2211286
loop_
_publ_author_name
'Chia-Her Lin'
'Sue-Lein Wang'
_publ_section_title
;
 (C₄H₁₂N₂)₃[Ga₄(OH)₂(H₂PO₄)₂(HPO₄)₄(PO₄)₂]: a
 new organically templated gallium phosphate
;
_journal_coeditor_code           BI2081
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3289
_journal_page_last               m3290
_journal_paper_doi               10.1107/S1600536806045375
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'(C4 H12 N2)3 [Ga4 (O H)2 (H2 P O4)2 (H P O4)4 (P O4)2]'
_chemical_formula_moiety         '(C4 H12 N2)3 [Ga4 H10 O34 P8]'
_chemical_formula_sum            'C12 H46 Ga4 N6 O34 P8'
_chemical_formula_weight         1345.19
_chemical_name_systematic
;
Bis(piperazinium) bis(dihydrogenphosphato)tetra-μ₂-hydrogenphosphato-
di-μ₃-hydroxo-di-μ₃-phosphato-tetragallate(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.2080(10)
_cell_angle_beta                 98.7960(10)
_cell_angle_gamma                93.0530(10)
_cell_formula_units_Z            1
_cell_length_a                   6.2754(3)
_cell_length_b                   13.0604(5)
_cell_length_c                   13.6268(6)
_cell_measurement_reflns_used    6645
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.07
_cell_measurement_theta_min      2.99
_cell_volume                     971.90(7)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2001)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.891
_diffrn_measurement_device_type  'Bruker SMART 1K CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9405
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.08
_diffrn_reflns_theta_min         1.71
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.197
_exptl_absorpt_correction_T_max  0.726
_exptl_absorpt_correction_T_min  0.512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.298
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             676
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.757
_refine_diff_density_min         -0.730
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         4155
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0443P)²+0.7591P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0784
_reflns_number_gt                3742
_reflns_number_total             4155
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bi2081.cif
_cod_data_source_block           I
_cod_database_code               2211286
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Ga Ga1 0.17098(4) 0.35530(2) 0.23964(2) 0.01109(9) Uani d . 1
Ga Ga2 0.51621(4) 0.61654(2) 0.49250(2) 0.01162(9) Uani d . 1
P P1 0.67664(10) 0.39526(5) 0.31399(5) 0.01054(14) Uani d . 1
P P2 0.17618(11) 0.62581(5) 0.29816(5) 0.01215(14) Uani d . 1
P P3 -0.08049(11) 0.24252(6) -0.02624(6) 0.01387(15) Uani d . 1
P P4 0.14848(11) 0.16429(5) 0.32991(6) 0.01353(14) Uani d . 1
O O1 0.4732(3) 0.34862(15) 0.21935(15) 0.0132(4) Uani d . 1
O O2 -0.1219(3) 0.36538(17) 0.26491(16) 0.0187(4) Uani d . 1
O O3 0.3361(3) 0.65857(15) 0.60594(15) 0.0142(4) Uani d . 1
O O4 0.6940(3) 0.52964(15) 0.38366(15) 0.0150(4) Uani d . 1
O O5 0.1689(3) 0.49589(16) 0.22294(16) 0.0172(4) Uani d . 1
O O6 0.2284(3) 0.69390(16) 0.23761(16) 0.0193(4) Uani d . 1
O O7 0.3379(3) 0.67140(16) 0.40864(17) 0.0222(4) Uani d . 1
O O8 -0.0531(3) 0.65631(18) 0.3263(2) 0.0251(5) Uani d D 1
H H8 -0.113(6) 0.621(3) 0.353(3) 0.038 Uiso d D 1
O O9 -0.0432(3) 0.35564(17) -0.03871(17) 0.0199(4) Uani d D 1
H H9 -0.090(6) 0.340(3) -0.1039(13) 0.030 Uiso d D 1
O O10 0.0858(3) 0.26177(16) 0.07626(15) 0.0160(4) Uani d . 1
O O11 -0.3140(3) 0.21481(19) -0.0259(2) 0.0272(5) Uani d . 1
O O12 -0.0017(4) 0.14770(19) -0.12953(18) 0.0297(5) Uani d D 1
H H12 -0.076(6) 0.086(2) -0.176(3) 0.045 Uiso d D 1
O O13 0.1649(3) 0.20857(16) 0.24506(16) 0.0169(4) Uani d . 1
O O14 0.7171(3) 0.75314(16) 0.55420(16) 0.0190(4) Uani d . 1
O O15 -0.0965(3) 0.15218(18) 0.3437(2) 0.0249(5) Uani d D 1
H H15 -0.157(6) 0.209(2) 0.370(3) 0.037 Uiso d D 1
O O16 0.2094(4) 0.04272(16) 0.28906(17) 0.0228(4) Uani d . 1
O O17 0.3037(3) 0.45211(15) 0.41223(15) 0.0127(4) Uani d D 1
H H17 0.195(3) 0.465(3) 0.439(3) 0.019 Uiso d D 1
N N1 -0.5940(4) 0.1043(2) 0.0372(2) 0.0278(6) Uani d . 1
H H1C -0.5025 0.1483 0.0222 0.033 Uiso calc R 1
H H1D -0.6982 0.1465 0.0671 0.033 Uiso calc R 1
N N2 0.5715(4) 0.5805(2) -0.0373(2) 0.0253(5) Uani d . 1
H H2C 0.6989 0.5583 -0.0562 0.030 Uiso calc R 1
H H2D 0.5487 0.6412 -0.0501 0.030 Uiso calc R 1
N N3 0.3831(5) -0.0810(2) 0.3895(2) 0.0298(6) Uani d . 1
H H3C 0.3342 -0.1544 0.3354 0.036 Uiso calc R 1
H H3D 0.3359 -0.0326 0.3633 0.036 Uiso calc R 1
C C1 -0.4750(8) 0.0736(3) 0.1180(3) 0.0507(12) Uani d . 1
H H1A -0.5750 0.0302 0.1378 0.061 Uiso calc R 1
H H1B -0.4073 0.1437 0.1860 0.061 Uiso calc R 1
C C2 -0.6957(7) -0.0018(3) -0.0690(4) 0.0552(13) Uani d . 1
H H2A -0.7715 0.0203 -0.1224 0.066 Uiso calc R 1
H H2B -0.8012 -0.0469 -0.0537 0.066 Uiso calc R 1
C C3 0.5857(5) 0.6180(3) 0.0849(3) 0.0222(6) Uani d . 1
H H3A 0.4558 0.6512 0.1076 0.027 Uiso calc R 1
H H3B 0.7102 0.6777 0.1283 0.027 Uiso calc R 1
C C4 0.2930(6) -0.0589(3) 0.4915(3) 0.0353(8) Uani d . 1
H H4A 0.3361 -0.1143 0.5172 0.042 Uiso calc R 1
H H4B 0.1352 -0.0695 0.4727 0.042 Uiso calc R 1
C C5 0.3920(5) 0.4822(3) -0.1097(3) 0.0243(6) Uani d . 1
H H5A 0.3957 0.4565 -0.1884 0.029 Uiso calc R 1
H H5B 0.2527 0.5089 -0.0965 0.029 Uiso calc R 1
C C6 0.6242(6) -0.0636(3) 0.4152(3) 0.0345(8) Uani d . 1
H H6A 0.6789 -0.0761 0.3484 0.041 Uiso calc R 1
H H6B 0.6761 -0.1193 0.4386 0.041 Uiso calc R 1
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O2 Ga1 O13 . . 90.37(8)
O2 Ga1 O5 . . 89.56(8)
O13 Ga1 O5 . . 176.00(8)
O2 Ga1 O10 . . 95.07(8)
O13 Ga1 O10 . . 86.64(8)
O5 Ga1 O10 . . 89.38(8)
O2 Ga1 O1 . . 178.05(8)
O13 Ga1 O1 . . 89.92(8)
O5 Ga1 O1 . . 90.29(8)
O10 Ga1 O1 . . 86.87(8)
O2 Ga1 O17 . . 92.28(8)
O13 Ga1 O17 . . 92.40(7)
O5 Ga1 O17 . . 91.60(7)
O10 Ga1 O17 . . 172.60(7)
O1 Ga1 O17 . . 85.78(7)
O7 Ga2 O14 . . 90.22(9)
O7 Ga2 O3 . . 92.91(9)
O14 Ga2 O3 . . 101.00(8)
O7 Ga2 O4 . . 100.09(9)
O14 Ga2 O4 . . 91.66(8)
O3 Ga2 O4 . . 161.83(8)
O7 Ga2 O17 . 2_666 175.71(8)
O14 Ga2 O17 . 2_666 93.46(8)
O3 Ga2 O17 . 2_666 84.22(7)
O4 Ga2 O17 . 2_666 82.03(7)
O7 Ga2 O17 . . 90.81(8)
O14 Ga2 O17 . . 175.17(8)
O3 Ga2 O17 . . 83.66(7)
O4 Ga2 O17 . . 83.52(7)
O17 Ga2 O17 2_666 . 85.70(7)
O2 P1 O1 1_655 . 110.15(11)
O2 P1 O3 1_655 2_666 108.70(11)
O1 P1 O3 . 2_666 110.62(10)
O2 P1 O4 1_655 . 109.04(11)
O1 P1 O4 . . 109.66(10)
O3 P1 O4 2_666 . 108.64(10)
O7 P2 O6 . . 109.64(12)
O7 P2 O5 . . 112.67(11)
O6 P2 O5 . . 110.90(11)
O7 P2 O8 . . 107.81(13)
O6 P2 O8 . . 104.07(12)
O5 P2 O8 . . 111.36(12)
O11 P3 O10 . . 117.07(12)
O11 P3 O12 . . 113.12(14)
O10 P3 O12 . . 105.33(11)
O11 P3 O9 . . 110.66(12)
O10 P3 O9 . . 105.89(11)
O12 P3 O9 . . 103.67(13)
O16 P4 O14 . 2_666 110.83(11)
O16 P4 O13 . . 111.70(12)
O14 P4 O13 2_666 . 112.09(11)
O16 P4 O15 . . 104.79(12)
O14 P4 O15 2_666 . 107.08(12)
O13 P4 O15 . . 110.00(11)
P1 O1 Ga1 . . 125.91(11)
P1 O2 Ga1 1_455 . 165.68(14)
P1 O3 Ga2 2_666 . 126.09(10)
P1 O4 Ga2 . . 126.95(11)
P2 O5 Ga1 . . 137.72(12)
P2 O7 Ga2 . . 140.06(12)
P2 O8 H8 . . 118(3)
P3 O9 H9 . . 109(3)
P3 O10 Ga1 . . 143.80(12)
P3 O12 H12 . . 124(3)
P4 O13 Ga1 . . 138.52(12)
P4 O14 Ga2 2_666 . 135.72(12)
P4 O15 H15 . . 120(3)
Ga1 O17 Ga2 . 2_666 123.73(8)
Ga1 O17 Ga2 . . 125.78(9)
Ga2 O17 Ga2 2_666 . 94.30(7)
Ga1 O17 H17 . . 101(2)
Ga2 O17 H17 2_666 . 103(2)
Ga2 O17 H17 . . 106(2)
C1 N1 C2 . . 110.7(3)
C1 N1 H1C . . 109.5
C2 N1 H1C . . 109.5
C1 N1 H1D . . 109.5
C2 N1 H1D . . 109.5
H1C N1 H1D . . 108.1
C3 N2 C5 . . 112.1(2)
C3 N2 H2C . . 109.2
C5 N2 H2C . . 109.2
C3 N2 H2D . . 109.2
C5 N2 H2D . . 109.2
H2C N2 H2D . . 107.9
C6 N3 C4 . . 111.3(3)
C6 N3 H3C . . 109.4
C4 N3 H3C . . 109.4
C6 N3 H3D . . 109.4
C4 N3 H3D . . 109.4
H3C N3 H3D . . 108.0
N1 C1 C2 . 2_455 110.2(3)
N1 C1 H1A . . 109.6
C2 C1 H1A 2_455 . 109.6
N1 C1 H1B . . 109.6
C2 C1 H1B 2_455 . 109.6
H1A C1 H1B . . 108.1
N1 C2 C1 . 2_455 110.0(3)
N1 C2 H2A . . 109.7
C1 C2 H2A 2_455 . 109.7
N1 C2 H2B . . 109.7
C1 C2 H2B 2_455 . 109.7
H2A C2 H2B . . 108.2
N2 C3 C5 . 2_665 111.4(2)
N2 C3 H3A . . 109.3
C5 C3 H3A 2_665 . 109.3
N2 C3 H3B . . 109.3
C5 C3 H3B 2_665 . 109.3
H3A C3 H3B . . 108.0
N3 C4 C6 . 2_656 110.5(3)
N3 C4 H4A . . 109.6
C6 C4 H4A 2_656 . 109.6
N3 C4 H4B . . 109.6
C6 C4 H4B 2_656 . 109.6
H4A C4 H4B . . 108.1
N2 C5 C3 . 2_665 111.0(2)
N2 C5 H5A . . 109.4
C3 C5 H5A 2_665 . 109.4
N2 C5 H5B . . 109.4
C3 C5 H5B 2_665 . 109.4
H5A C5 H5B . . 108.0
N3 C6 C4 . 2_656 109.5(3)
N3 C6 H6A . . 109.8
C4 C6 H6A 2_656 . 109.8
N3 C6 H6B . . 109.8
C4 C6 H6B 2_656 . 109.8
H6A C6 H6B . . 108.2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ga1 O2 . 1.9212(19)
Ga1 O13 . 1.9499(18)
Ga1 O5 . 1.9512(18)
Ga1 O10 . 1.9530(18)
Ga1 O1 . 1.9586(18)
Ga1 O17 . 2.0959(18)
Ga2 O7 . 1.8746(19)
Ga2 O14 . 1.8823(19)
Ga2 O3 . 1.9474(18)
Ga2 O4 . 1.9583(18)
Ga2 O17 2_666 2.1191(18)
Ga2 O17 . 2.1651(18)
P1 O2 1_655 1.5069(19)
P1 O1 . 1.5362(18)
P1 O3 2_666 1.5535(19)
P1 O4 . 1.5549(18)
P2 O7 . 1.517(2)
P2 O6 . 1.517(2)
P2 O5 . 1.5228(19)
P2 O8 . 1.570(2)
P3 O11 . 1.492(2)
P3 O10 . 1.5192(18)
P3 O12 . 1.563(2)
P3 O9 . 1.572(2)
P4 O16 . 1.5160(19)
P4 O14 2_666 1.5190(19)
P4 O13 . 1.524(2)
P4 O15 . 1.585(2)
O2 P1 1_455 1.5069(19)
O3 P1 2_666 1.5535(19)
O8 H8 . 0.820(10)
O9 H9 . 0.820(10)
O12 H12 . 0.820(10)
O14 P4 2_666 1.5190(19)
O15 H15 . 0.810(10)
O17 Ga2 2_666 2.1190(18)
O17 H17 . 0.810(10)
N1 C1 . 1.454(5)
N1 C2 . 1.487(5)
N1 H1C . 0.900
N1 H1D . 0.900
N2 C3 . 1.491(4)
N2 C5 . 1.496(4)
N2 H2C . 0.900
N2 H2D . 0.900
N3 C6 . 1.481(5)
N3 C4 . 1.492(5)
N3 H3C . 0.900
N3 H3D . 0.900
C1 C2 2_455 1.492(6)
C1 H1A . 0.970
C1 H1B . 0.970
C2 C1 2_455 1.492(6)
C2 H2A . 0.970
C2 H2B . 0.970
C3 C5 2_665 1.503(4)
C3 H3A . 0.970
C3 H3B . 0.970
C4 C6 2_656 1.515(5)
C4 H4A . 0.970
C4 H4B . 0.970
C5 C3 2_665 1.503(4)
C5 H5A . 0.970
C5 H5B . 0.970
C6 C4 2_656 1.515(5)
C6 H6A . 0.970
C6 H6B . 0.970
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1D O10 1_455 0.90 2.05 2.884(3) 152.7 y
N1 H1C O11 . 0.90 1.80 2.691(3) 171.0 y
N3 H3C O6 1_545 0.90 1.82 2.717(3) 173.9 y
N3 H3D O16 . 0.90 1.84 2.726(3) 169.7 y
O8 H8 O4 1_455 0.820(10) 1.880(10) 2.674(3) 166(4) y
O12 H12 O16 2 0.820(10) 1.730(10) 2.540(3) 171(4) y
O15 H15 O3 2_566 0.810(10) 2.030(10) 2.829(3) 166(4) y
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O2 P1 O1 Ga1 1_655 . 175.43(12)
O3 P1 O1 Ga1 2_666 . 55.23(15)
O4 P1 O1 Ga1 . . -64.57(15)
O13 Ga1 O1 P1 . . -87.38(13)
O5 Ga1 O1 P1 . . 96.61(13)
O10 Ga1 O1 P1 . . -174.02(14)
O17 Ga1 O1 P1 . . 5.03(13)
O13 Ga1 O2 P1 . 1_455 103.5(5)
O5 Ga1 O2 P1 . 1_455 -80.5(5)
O10 Ga1 O2 P1 . 1_455 -169.9(5)
O17 Ga1 O2 P1 . 1_455 11.1(5)
O7 Ga2 O3 P1 . 2_666 157.06(14)
O14 Ga2 O3 P1 . 2_666 -112.15(14)
O4 Ga2 O3 P1 . 2_666 21.2(3)
O17 Ga2 O3 P1 2_666 2_666 -19.73(13)
O17 Ga2 O3 P1 . 2_666 66.57(13)
O2 P1 O4 Ga2 1_655 . -165.27(13)
O1 P1 O4 Ga2 . . 74.05(15)
O3 P1 O4 Ga2 2_666 . -46.95(16)
O7 Ga2 O4 P1 . . -105.99(14)
O14 Ga2 O4 P1 . . 163.50(14)
O3 Ga2 O4 P1 . . 29.0(3)
O17 Ga2 O4 P1 2_666 . 70.23(14)
O17 Ga2 O4 P1 . . -16.32(13)
O7 P2 O5 Ga1 . . 41.8(2)
O6 P2 O5 Ga1 . . 165.16(16)
O8 P2 O5 Ga1 . . -79.5(2)
O2 Ga1 O5 P2 . . 72.31(19)
O10 Ga1 O5 P2 . . 167.38(19)
O1 Ga1 O5 P2 . . -105.75(19)
O17 Ga1 O5 P2 . . -19.96(19)
O6 P2 O7 Ga2 . . -133.0(2)
O5 P2 O7 Ga2 . . -8.9(3)
O8 P2 O7 Ga2 . . 114.4(2)
O14 Ga2 O7 P2 . . 149.9(2)
O3 Ga2 O7 P2 . . -109.1(2)
O4 Ga2 O7 P2 . . 58.1(2)
O17 Ga2 O7 P2 . . -25.4(2)
O11 P3 O10 Ga1 . . -57.5(3)
O12 P3 O10 Ga1 . . 175.8(2)
O9 P3 O10 Ga1 . . 66.4(2)
O2 Ga1 O10 P3 . . 36.5(2)
O13 Ga1 O10 P3 . . 126.6(2)
O5 Ga1 O10 P3 . . -53.0(2)
O1 Ga1 O10 P3 . . -143.3(2)
O16 P4 O13 Ga1 . . -165.63(16)
O14 P4 O13 Ga1 2_666 . -40.6(2)
O15 P4 O13 Ga1 . . 78.4(2)
O2 Ga1 O13 P4 . . -64.95(19)
O10 Ga1 O13 P4 . . -160.01(19)
O1 Ga1 O13 P4 . . 113.11(18)
O17 Ga1 O13 P4 . . 27.34(19)
O7 Ga2 O14 P4 . 2_666 137.80(19)
O3 Ga2 O14 P4 . 2_666 44.78(19)
O4 Ga2 O14 P4 . 2_666 -122.11(18)
O17 Ga2 O14 P4 2_666 2_666 -39.99(19)
O2 Ga1 O17 Ga2 . 2_666 114.18(11)
O13 Ga1 O17 Ga2 . 2_666 23.72(11)
O5 Ga1 O17 Ga2 . 2_666 -156.20(11)
O1 Ga1 O17 Ga2 . 2_666 -66.03(10)
O2 Ga1 O17 Ga2 . . -119.51(11)
O13 Ga1 O17 Ga2 . . 150.03(11)
O5 Ga1 O17 Ga2 . . -29.88(11)
O1 Ga1 O17 Ga2 . . 60.29(10)
O7 Ga2 O17 Ga1 . . 44.73(12)
O3 Ga2 O17 Ga1 . . 137.58(11)
O4 Ga2 O17 Ga1 . . -55.33(11)
O17 Ga2 O17 Ga1 2_666 . -137.78(13)
O7 Ga2 O17 Ga2 . 2_666 -177.49(9)
O3 Ga2 O17 Ga2 . 2_666 -84.65(7)
O4 Ga2 O17 Ga2 . 2_666 82.45(8)
O17 Ga2 O17 Ga2 2_666 2_666 0.0
C2 N1 C1 C2 . 2_455 58.1(5)
C1 N1 C2 C1 . 2_455 -58.0(5)
C5 N2 C3 C5 . 2_665 54.9(3)
C6 N3 C4 C6 . 2_656 58.2(4)
C3 N2 C5 C3 . 2_665 -54.6(4)
C4 N3 C6 C4 . 2_656 -57.6(4)
