#------------------------------------------------------------------------------
#$Date: 2021-09-14 02:00:09 +0300 (Tue, 14 Sep 2021) $
#$Revision: 269120 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/82/7708276.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_7708276
loop_
_publ_author_name
'Steinke, Felix'
'Javed, Ali'
'Wöhlbrandt, Stephan'
'Tiemann, Michael'
'Stock, Norbert'
_publ_section_title
;
 New isoreticular phosphonate MOFs based on a tetratopic linker
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT02610K
_journal_year                    2021
_chemical_formula_moiety         'C52 Ga4 O28 P8, 12(O)'
_chemical_formula_sum            'C52 Ga4 O40 P8'
_chemical_formula_weight         1791.16
_chemical_name_mineral           ??
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_update_record
;
2021-08-05 deposited with the CCDC.	2021-09-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 77.264(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   23.8290(18)
_cell_length_b                   5.1010(3)
_cell_length_c                   27.997(2)
_cell_measurement_temperature    293.15
_cell_volume                     3319.4(4)
_diffrn_ambient_temperature      293.15
_diffrn_measurement_device_type  'STOE Stadi P Cu Ka1'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuKa
_diffrn_radiation_wavelength     1.540598
_exptl_crystal_density_diffrn    1.792
_exptl_crystal_recrystallization_method 'hydrothermal synthesis'
_pd_char_colour                  white
_pd_proc_ls_prof_R_factor        0.0534
_pd_proc_ls_prof_wR_expected     0.0565
_pd_proc_ls_prof_wR_factor       0.0699
_refine_ls_goodness_of_fit_all   1.23709
_refine_ls_R_I_factor            0.0274
_refine_ls_shift/su_max          0
_cod_data_source_file            d1dt02610k3.cif
_cod_data_source_block           Ga-CAU-53
_cod_original_cell_volume        3319.4(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7708276
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, y, -z+1/2 '
'x, -y, z+1/2 '
'-x, -y, -z '
'x+1/2, y+1/2, z '
'-x+1/2, y+1/2, -z+1/2 '
'x+1/2, -y+1/2, z+1/2 '
'-x+1/2, -y+1/2, -z '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Ga1 Ga 8 0.3293(4) -0.028(2) 0.0189(3) 1 0.2(2)
O01 O 8 0.4182(11) -0.031(9) -0.0097(11) 1 0.2(2)
O02 O 8 0.5 0.201(5) 0 1 8.0(8)
O03 O 8 0.2443(16) -0.083(9) 0.3737(12) 1 8.0(8)
O04 O 8 0.2335(14) 0.734(7) 0.2770(13) 1 8.0(8)
P11 P 8 0.3742(8) 0.467(6) 0.0765(7) 1 6.5(5)
O11 O 8 0.3299(18) 0.256(8) 0.0690(16) 1 6.5(5)
O12 O 8 0.354(2) 0.760(9) 0.0725(16) 1 6.5(5)
O13 O 8 0.4321(12) 0.451(10) 0.0373(12) 1 6.5(5)
O21 O 8 0.3016(17) 0.824(9) 0.4702(18) 1 6.5(5)
O22 O 8 0.2482(17) 0.463(12) 0.4431(13) 1 6.5(5)
O23 O 8 0.3377(16) 0.347(10) 0.4728(15) 1 6.5(5)
P21 P 8 0.3069(10) 0.551(7) 0.4476(7) 1 6.5(5)
C01 C 8 0.47033(14) 0.421(6) 0.25486(10) 1 6.5(5)
C14 C 8 0.3978(8) 0.416(10) 0.1307(7) 1 6.5(5)
C15 C 8 0.3728(9) 0.564(11) 0.1712(6) 1 6.5(5)
C16 C 8 0.3966(7) 0.566(10) 0.2121(5) 1 6.5(5)
C11 C 8 0.4455(3) 0.419(7) 0.2124(4) 1 6.5(5)
C12 C 8 0.4705(6) 0.271(7) 0.1718(4) 1 6.5(5)
C13 C 8 0.4466(8) 0.270(8) 0.1309(6) 1 6.5(5)
C21 C 8 0.4331(4) 0.446(8) 0.3027(4) 1 6.5(5)
C22 C 8 0.4502(8) 0.596(7) 0.3383(5) 1 6.5(5)
C23 C 8 0.4145(10) 0.620(9) 0.3844(6) 1 6.5(5)
C24 C 8 0.3616(8) 0.495(12) 0.3948(7) 1 6.5(5)
C25 C 8 0.3444(8) 0.346(13) 0.3592(6) 1 6.5(5)
C26 C 8 0.3802(6) 0.322(11) 0.3132(5) 1 6.5(5)
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_2
_geom_angle_site_symmetry_3
O21 Ga1 O22 88.1(18) 3_564 1_555 6_545
O11 Ga1 O21 99.1(19) 1_555 1_555 3_564
O11 Ga1 O22 77.6(19) 1_555 1_555 6_545
O12 Ga1 O11 79.8(17) 1_545 1_555 1_555
O12 Ga1 O21 176.7(16) 1_545 1_555 3_564
O12 Ga1 O22 88.6(18) 1_545 1_555 6_545
O23 Ga1 O12 92.2(18) 3_554 1_555 1_545
O23 Ga1 O11 171.2(19) 3_554 1_555 1_555
O23 Ga1 O21 89.1(19) 3_554 1_555 3_564
O23 Ga1 O22 106.2(19) 3_554 1_555 6_545
O01 Ga1 O23 78.6(15) 1_555 1_555 3_554
O01 Ga1 O12 81.2(15) 1_555 1_555 1_545
O01 Ga1 O11 96.3(16) 1_555 1_555 1_555
O01 Ga1 O21 101.9(15) 1_555 1_555 3_564
O01 Ga1 O22 169.0(15) 1_555 1_555 6_545
P21 Ga1 O01 171.5(13) 6_545 1_555 1_555
P21 Ga1 O23 103.6(12) 6_545 1_555 3_554
P21 Ga1 O12 106.7(13) 6_545 1_555 1_545
P21 Ga1 O11 82.4(13) 6_545 1_555 1_555
P21 Ga1 O21 70.1(12) 6_545 1_555 3_564
P21 Ga1 O22 18.1(13) 6_545 1_555 6_545
O02 O01 Ga1 143.5(19) 4_655 1_555 1_555
O02 O01 O02 53.4(13) 1_555 1_555 4_655
O02 O01 Ga1 138.4(18) 1_555 1_555 1_555
O23 O01 O02 171(2) 3_554 1_555 1_555
O23 O01 O02 119(2) 3_554 1_555 4_655
O23 O01 Ga1 50.1(11) 3_554 1_555 1_555
O12 O01 O23 67.3(16) 1_545 1_555 3_554
O12 O01 O02 115.7(16) 1_545 1_555 1_555
O12 O01 O02 95.3(17) 1_545 1_555 4_655
O12 O01 Ga1 48.5(12) 1_545 1_555 1_555
O13 O01 O12 92.8(14) 1_555 1_555 1_545
O13 O01 O23 141.2(15) 1_555 1_555 3_554
O13 O01 O02 47.6(10) 1_555 1_555 1_555
O13 O01 O02 95.0(14) 1_555 1_555 4_655
O13 O01 Ga1 91.5(14) 1_555 1_555 1_555
O13 O01 O13 121.5(15) 1_545 1_555 1_555
O13 O01 O12 51.2(13) 1_545 1_555 1_545
O13 O01 O23 72.5(16) 1_545 1_555 3_554
O13 O01 O02 102.6(14) 1_545 1_555 1_555
O13 O01 O02 54.2(11) 1_545 1_555 4_655
O13 O01 Ga1 92.2(14) 1_545 1_555 1_555
O11 O01 O13 103.3(13) 1_555 1_555 1_545
O11 O01 O13 52.0(11) 1_555 1_555 1_555
O11 O01 O12 53.3(13) 1_555 1_555 1_545
O11 O01 O23 90.8(14) 1_555 1_555 3_554
O11 O01 O02 97.5(15) 1_555 1_555 1_555
O11 O01 O02 125.8(15) 1_555 1_555 4_655
O11 O01 Ga1 40.9(10) 1_555 1_555 1_555
O21 O01 O11 58.2(13) 3_564 1_555 1_555
O21 O01 O13 124.2(14) 3_564 1_555 1_545
O21 O01 O13 89.4(15) 3_564 1_555 1_555
O21 O01 O12 85.7(15) 3_564 1_555 1_545
O21 O01 O23 57.5(14) 3_564 1_555 3_554
O21 O01 O02 130(2) 3_564 1_555 1_555
O21 O01 O02 175(2) 3_564 1_555 4_655
O21 O01 Ga1 37.3(10) 3_564 1_555 1_555
O13 O02 O02 126.6(12) 1_555 1_555 4_655
O01 O02 O13 140.1(13) 4_655 1_555 1_555
O01 O02 O02 66.9(12) 4_655 1_555 4_655
O01 O02 O01 126.6(13) 1_555 1_555 4_655
O01 O02 O13 78.5(14) 1_555 1_555 1_555
O01 O02 O02 59.7(11) 1_555 1_555 4_655
O13 O02 O01 142.7(12) 4_665 1_555 1_555
O13 O02 O01 79.6(13) 4_665 1_555 4_655
O13 O02 O13 97.6(13) 4_665 1_555 1_555
O13 O02 O02 135.9(10) 4_665 1_555 4_655
O02 O02 O13 44.1(10) 4_665 1_555 4_665
O02 O02 O01 120.3(11) 4_665 1_555 1_555
O02 O02 O01 113.1(12) 4_665 1_555 4_655
O02 O02 O13 53.4(12) 4_665 1_555 1_555
O02 O02 O02 179.9999991(2) 4_665 1_555 4_655
P11 O03 O11 32.6(13) 6_545 1_555 6_545
O04 O03 P11 101.5(14) 1_545 1_555 6_545
O04 O03 O11 109(2) 1_545 1_555 6_545
O22 O03 O04 111.7(17) 1_545 1_555 1_545
O22 O03 P11 85.6(13) 1_545 1_555 6_545
O22 O03 O11 53.1(15) 1_545 1_555 6_545
O12 O03 O22 104.5(14) 6_545 1_555 1_545
O12 O03 O04 115.2(16) 6_545 1_555 1_545
O12 O03 P11 30.8(11) 6_545 1_555 6_545
O12 O03 O11 57.4(15) 6_545 1_555 6_545
C25 O03 O12 98.0(15) 1_555 1_555 6_545
C25 O03 O22 118.4(15) 1_555 1_555 1_545
C25 O03 O04 108.5(11) 1_555 1_555 1_545
C25 O03 P11 128.8(15) 1_555 1_555 6_545
C25 O03 O11 141.5(18) 1_555 1_555 6_545
O04 O04 O03 97.3(14) 6_555 1_555 1_565
O04 O04 O04 118(2) 6_545 1_555 6_555
O04 O04 O03 132.4(18) 6_545 1_555 1_565
C15 O04 O04 142.6(17) 6_555 1_555 6_545
C15 O04 O04 82.5(9) 6_555 1_555 6_555
C15 O04 O03 68.0(10) 6_555 1_555 1_565
O13 P11 O11 113(3) 1_555 1_555 1_555
O12 P11 O13 104(3) 1_555 1_555 1_555
O12 P11 O11 115(3) 1_555 1_555 1_555
C14 P11 O12 111(2) 1_555 1_555 1_555
C14 P11 O13 101.4(17) 1_555 1_555 1_555
C14 P11 O11 112(2) 1_555 1_555 1_555
C15 P11 C14 27.1(4) 1_555 1_555 1_555
C15 P11 O12 87.7(19) 1_555 1_555 1_555
C15 P11 O13 121.2(16) 1_555 1_555 1_555
C15 P11 O11 113.6(18) 1_555 1_555 1_555
C13 P11 C15 52.5(4) 1_555 1_555 1_555
C13 P11 C14 25.7(4) 1_555 1_555 1_555
C13 P11 O12 129(2) 1_555 1_555 1_555
C13 P11 O13 78.7(16) 1_555 1_555 1_555
C13 P11 O11 111(2) 1_555 1_555 1_555
O03 P11 C13 111.8(10) 6_555 1_555 1_555
O03 P11 C15 75.0(8) 6_555 1_555 1_555
O03 P11 C14 92.0(10) 6_555 1_555 1_555
O03 P11 O12 80.4(19) 6_555 1_555 1_555
O03 P11 O13 163(2) 6_555 1_555 1_555
O03 P11 O11 51.6(17) 6_555 1_555 1_555
Ga1 O11 P11 135(2) 1_555 1_555 1_555
O03 O11 Ga1 129(2) 6_555 1_555 1_555
O03 O11 P11 96(2) 6_555 1_555 1_555
O22 O11 O03 79.7(18) 6_545 1_555 6_555
O22 O11 Ga1 49.3(13) 6_545 1_555 1_555
O22 O11 P11 173(3) 6_545 1_555 1_555
O13 O11 O22 150(2) 1_555 1_555 6_545
O13 O11 O03 129(2) 1_555 1_555 6_555
O13 O11 Ga1 100.8(17) 1_555 1_555 1_555
O13 O11 P11 33.7(14) 1_555 1_555 1_555
O12 O11 O13 101(2) 1_545 1_555 1_555
O12 O11 O22 66.0(19) 1_545 1_555 6_545
O12 O11 O03 118(2) 1_545 1_555 6_555
O12 O11 Ga1 50.4(14) 1_545 1_555 1_555
O12 O11 P11 121(3) 1_545 1_555 1_555
O12 O11 O12 154(3) 1_555 1_555 1_545
O12 O11 O13 56.4(16) 1_555 1_555 1_555
O12 O11 O22 140(2) 1_555 1_555 6_545
O12 O11 O03 76.3(18) 1_555 1_555 6_555
O12 O11 Ga1 139(2) 1_555 1_555 1_555
O12 O11 P11 33.1(17) 1_555 1_555 1_555
C14 O11 O12 61.6(14) 1_555 1_555 1_555
C14 O11 O12 95.8(18) 1_555 1_555 1_545
C14 O11 O13 57.4(12) 1_555 1_555 1_555
C14 O11 O22 147(2) 1_555 1_555 6_545
C14 O11 O03 85.6(17) 1_555 1_555 6_555
C14 O11 Ga1 138(2) 1_555 1_555 1_555
C14 O11 P11 36.4(13) 1_555 1_555 1_555
O21 O11 C14 154.4(16) 3_564 1_555 1_555
O21 O11 O12 105.1(19) 3_564 1_555 1_555
O21 O11 O12 89.8(18) 3_564 1_555 1_545
O21 O11 O13 97.0(15) 3_564 1_555 1_555
O21 O11 O22 57.6(15) 3_564 1_555 6_545
O21 O11 O03 114(2) 3_564 1_555 6_555
O21 O11 Ga1 39.5(12) 3_564 1_555 1_555
O21 O11 P11 121(2) 3_564 1_555 1_555
O01 O11 O21 62.1(12) 1_555 1_555 3_564
O01 O11 C14 100.9(14) 1_555 1_555 1_555
O01 O11 O12 112.0(17) 1_555 1_555 1_555
O01 O11 O12 56.0(14) 1_555 1_555 1_545
O01 O11 O13 59.6(14) 1_555 1_555 1_555
O01 O11 O22 91.7(17) 1_555 1_555 6_545
O01 O11 O03 171(2) 1_555 1_555 6_555
O01 O11 Ga1 42.8(10) 1_555 1_555 1_555
O01 O11 P11 92.9(19) 1_555 1_555 1_555
Ga1 O12 P11 134(3) 1_565 1_555 1_555
O13 O12 Ga1 111.0(19) 1_555 1_555 1_565
O13 O12 P11 37.9(15) 1_555 1_555 1_555
O11 O12 O13 139(2) 1_565 1_555 1_555
O11 O12 Ga1 49.8(14) 1_565 1_555 1_565
O11 O12 P11 174(2) 1_565 1_555 1_555
O11 O12 O11 154(3) 1_555 1_555 1_565
O11 O12 O13 61.0(16) 1_555 1_555 1_555
O11 O12 Ga1 113(2) 1_555 1_555 1_565
O11 O12 P11 32.4(16) 1_555 1_555 1_555
O01 O12 O11 116.2(19) 1_565 1_555 1_555
O01 O12 O11 70.7(16) 1_565 1_555 1_565
O01 O12 O13 70.9(16) 1_565 1_555 1_555
O01 O12 Ga1 50.3(11) 1_565 1_555 1_565
O01 O12 P11 108(2) 1_565 1_555 1_555
C14 O12 O01 122.6(18) 1_555 1_555 1_565
C14 O12 O11 61.0(13) 1_555 1_555 1_555
C14 O12 O11 139(2) 1_555 1_555 1_565
C14 O12 O13 58.5(13) 1_555 1_555 1_555
C14 O12 Ga1 169.2(19) 1_555 1_555 1_565
C14 O12 P11 36.2(13) 1_555 1_555 1_555
O22 O12 C14 142.8(18) 6_555 1_555 1_555
O22 O12 O01 94.1(17) 6_555 1_555 1_565
O22 O12 O11 99(2) 6_555 1_555 1_555
O22 O12 O11 54.6(17) 6_555 1_555 1_565
O22 O12 O13 142(2) 6_555 1_555 1_555
O22 O12 Ga1 43.9(12) 6_555 1_555 1_565
O22 O12 P11 131(3) 6_555 1_555 1_555
O23 O12 O22 67.5(15) 3_564 1_555 6_555
O23 O12 C14 126.0(18) 3_564 1_555 1_555
O23 O12 O01 55.4(13) 3_564 1_555 1_565
O23 O12 O11 73.2(18) 3_564 1_555 1_555
O23 O12 O11 94(2) 3_564 1_555 1_565
O23 O12 O13 75.5(16) 3_564 1_555 1_555
O23 O12 Ga1 44.2(13) 3_564 1_555 1_565
O23 O12 P11 90(2) 3_564 1_555 1_555
O03 O12 O23 96.7(17) 6_555 1_555 3_564
O03 O12 O22 71.8(16) 6_555 1_555 6_555
O03 O12 C14 72.1(12) 6_555 1_555 1_555
O03 O12 O01 152(2) 6_555 1_555 1_565
O03 O12 O11 46.3(13) 6_555 1_555 1_555
O03 O12 O11 115.4(18) 6_555 1_555 1_565
O03 O12 O13 105.2(19) 6_555 1_555 1_555
O03 O12 Ga1 111(2) 6_555 1_555 1_565
O03 O12 P11 68.8(17) 6_555 1_555 1_555
C15 O12 O03 67.5(11) 1_555 1_555 6_555
C15 O12 O23 150.3(18) 1_555 1_555 3_564
C15 O12 O22 125.1(15) 1_555 1_555 6_555
C15 O12 C14 26.9(4) 1_555 1_555 1_555
C15 O12 O01 136.9(19) 1_555 1_555 1_565
C15 O12 O11 78.0(15) 1_555 1_555 1_555
C15 O12 O11 115.3(18) 1_555 1_555 1_565
C15 O12 O13 84.5(15) 1_555 1_555 1_555
C15 O12 Ga1 163.9(19) 1_555 1_555 1_565
C15 O12 P11 61.3(16) 1_555 1_555 1_555
O02 O13 P11 146(3) 1_555 1_555 1_555
O02 O13 O02 82.4(13) 4_665 1_555 1_555
O02 O13 P11 131(3) 4_665 1_555 1_555
O12 O13 O02 94(2) 1_555 1_555 4_665
O12 O13 O02 174.4(19) 1_555 1_555 1_555
O12 O13 P11 38.3(17) 1_555 1_555 1_555
C14 O13 O12 66.2(12) 1_555 1_555 1_555
C14 O13 O02 120.8(16) 1_555 1_555 4_665
C14 O13 O02 119.4(18) 1_555 1_555 1_555
C14 O13 P11 41.9(11) 1_555 1_555 1_555
O11 O13 C14 64.0(12) 1_555 1_555 1_555
O11 O13 O12 62.6(15) 1_555 1_555 1_555
O11 O13 O02 154(2) 1_555 1_555 4_665
O11 O13 O02 119(2) 1_555 1_555 1_555
O11 O13 P11 33.4(16) 1_555 1_555 1_555
O01 O13 O11 68.4(15) 1_555 1_555 1_555
O01 O13 C14 111.6(17) 1_555 1_555 1_555
O01 O13 O12 125.5(17) 1_555 1_555 1_555
O01 O13 O02 123.9(13) 1_555 1_555 4_665
O01 O13 O02 53.9(12) 1_555 1_555 1_555
O01 O13 P11 101(2) 1_555 1_555 1_555
C13 O13 O01 101.1(16) 1_555 1_555 1_555
C13 O13 O11 81.8(14) 1_555 1_555 1_555
C13 O13 C14 28.8(4) 1_555 1_555 1_555
C13 O13 O12 94.2(14) 1_555 1_555 1_555
C13 O13 O02 114.7(12) 1_555 1_555 4_665
C13 O13 O02 91.3(14) 1_555 1_555 1_555
C13 O13 P11 69.0(15) 1_555 1_555 1_555
O01 O13 C13 137.0(17) 1_565 1_555 1_555
O01 O13 O01 121.5(15) 1_565 1_555 1_555
O01 O13 O11 107.5(16) 1_565 1_555 1_555
O01 O13 C14 117.9(17) 1_565 1_555 1_555
O01 O13 O12 57.9(15) 1_565 1_555 1_555
O01 O13 O02 46.2(10) 1_565 1_555 4_665
O01 O13 O02 117.0(14) 1_565 1_555 1_555
O01 O13 P11 96(2) 1_565 1_555 1_555
Ga1 O21 P21 140(3) 3_565 1_555 1_555
O22 O21 Ga1 154(3) 1_555 1_555 3_565
O22 O21 P21 35.6(17) 1_555 1_555 1_555
O23 O21 O22 60.1(18) 1_555 1_555 1_555
O23 O21 Ga1 109(2) 1_555 1_555 3_565
O23 O21 P21 32.2(16) 1_555 1_555 1_555
O22 O21 O23 116(2) 8_566 1_555 1_555
O22 O21 O22 115.2(18) 8_566 1_555 1_555
O22 O21 Ga1 45.5(14) 8_566 1_555 3_565
O22 O21 P21 136(3) 8_566 1_555 1_555
O21 O21 O22 53.5(18) 8_566 1_555 8_566
O21 O21 O23 89(2) 8_566 1_555 1_555
O21 O21 O22 61.7(18) 8_566 1_555 1_555
O21 O21 Ga1 97(3) 8_566 1_555 3_565
O21 O21 P21 89(2) 8_566 1_555 1_555
O23 O21 O21 119(2) 1_565 1_555 8_566
O23 O21 O22 70.7(17) 1_565 1_555 8_566
O23 O21 O23 142(2) 1_565 1_555 1_555
O23 O21 O22 155(3) 1_565 1_555 1_555
O23 O21 Ga1 47.2(13) 1_565 1_555 3_565
O23 O21 P21 152(2) 1_565 1_555 1_555
C24 O21 O23 118.5(15) 1_555 1_555 1_565
C24 O21 O21 122(2) 1_555 1_555 8_566
C24 O21 O22 165(2) 1_555 1_555 8_566
C24 O21 O23 49.1(11) 1_555 1_555 1_555
C24 O21 O22 62.3(14) 1_555 1_555 1_555
C24 O21 Ga1 130.5(18) 1_555 1_555 3_565
C24 O21 P21 33.3(12) 1_555 1_555 1_555
O11 O21 C24 115.2(16) 3_565 1_555 1_555
O11 O21 O23 88.5(18) 3_565 1_555 1_565
O11 O21 O21 76(2) 3_565 1_555 8_566
O11 O21 O22 50.9(15) 3_565 1_555 8_566
O11 O21 O23 72.7(17) 3_565 1_555 1_555
O11 O21 O22 115(2) 3_565 1_555 1_555
O11 O21 Ga1 41.4(13) 3_565 1_555 3_565
O11 O21 P21 104(2) 3_565 1_555 1_555
P21 O21 O11 70.6(13) 8_566 1_555 3_565
P21 O21 C24 150.6(17) 8_566 1_555 1_555
P21 O21 O23 89.8(15) 8_566 1_555 1_565
P21 O21 O21 29.1(13) 8_566 1_555 8_566
P21 O21 O22 28.7(11) 8_566 1_555 8_566
P21 O21 O23 113.4(17) 8_566 1_555 1_555
P21 O21 O22 88.8(15) 8_566 1_555 1_555
P21 O21 Ga1 74.2(14) 8_566 1_555 3_565
P21 O21 P21 118(2) 8_566 1_555 1_555
O01 O21 P21 114.9(17) 3_565 1_555 8_566
O01 O21 O11 59.7(13) 3_565 1_555 3_565
O01 O21 C24 90.7(12) 3_565 1_555 1_555
O01 O21 O23 52.2(13) 3_565 1_555 1_565
O01 O21 O21 134(3) 3_565 1_555 8_566
O01 O21 O22 86.2(17) 3_565 1_555 8_566
O01 O21 O23 89.9(17) 3_565 1_555 1_555
O01 O21 O22 148(2) 3_565 1_555 1_555
O01 O21 Ga1 40.8(10) 3_565 1_555 3_565
O01 O21 P21 113(2) 3_565 1_555 1_555
Ga1 O22 P21 138(3) 6_555 1_555 1_555
O21 O22 Ga1 108(2) 1_555 1_555 6_555
O21 O22 P21 36.1(19) 1_555 1_555 1_555
O11 O22 O21 93(2) 6_555 1_555 1_555
O11 O22 Ga1 53.1(14) 6_555 1_555 6_555
O11 O22 P21 125(3) 6_555 1_555 1_555
O23 O22 O11 155(3) 1_555 1_555 6_555
O23 O22 O21 62.6(19) 1_555 1_555 1_555
O23 O22 Ga1 127(2) 1_555 1_555 6_555
O23 O22 P21 34.0(19) 1_555 1_555 1_555
O21 O22 O23 92.0(18) 8_566 1_555 1_555
O21 O22 O11 71.5(18) 8_566 1_555 6_555
O21 O22 O21 64.8(18) 8_566 1_555 1_555
O21 O22 Ga1 46.3(12) 8_566 1_555 6_555
O21 O22 P21 92(2) 8_566 1_555 1_555
C24 O22 O21 127.8(19) 1_555 1_555 8_566
C24 O22 O23 50.6(11) 1_555 1_555 1_555
C24 O22 O11 126(2) 1_555 1_555 6_555
C24 O22 O21 65.6(14) 1_555 1_555 1_555
C24 O22 Ga1 173.9(14) 1_555 1_555 6_555
C24 O22 P21 35.9(12) 1_555 1_555 1_555
O12 O22 C24 138.4(18) 6_545 1_555 1_555
O12 O22 O21 93.8(16) 6_545 1_555 8_566
O12 O22 O23 143(3) 6_545 1_555 1_555
O12 O22 O11 59.4(16) 6_545 1_555 6_555
O12 O22 O21 150(2) 6_545 1_555 1_555
O12 O22 Ga1 47.5(13) 6_545 1_555 6_555
O12 O22 P21 174(3) 6_545 1_555 1_555
C25 O22 O12 110.6(17) 1_555 1_555 6_545
C25 O22 C24 27.8(3) 1_555 1_555 1_555
C25 O22 O21 156(2) 1_555 1_555 8_566
C25 O22 O23 69.6(13) 1_555 1_555 1_555
C25 O22 O11 119.3(17) 1_555 1_555 6_555
C25 O22 O21 91.9(15) 1_555 1_555 1_555
C25 O22 Ga1 158(2) 1_555 1_555 6_555
C25 O22 P21 63.5(15) 1_555 1_555 1_555
O03 O22 C25 76.9(11) 1_565 1_555 1_555
O03 O22 O12 91.9(17) 1_565 1_555 6_545
O03 O22 C24 78.8(12) 1_565 1_555 1_555
O03 O22 O21 102(2) 1_565 1_555 8_566
O03 O22 O23 122(2) 1_565 1_555 1_555
O03 O22 O11 47.2(14) 1_565 1_555 6_555
O03 O22 O21 73.5(19) 1_565 1_555 1_555
O03 O22 Ga1 100(2) 1_565 1_555 6_555
O03 O22 P21 89(2) 1_565 1_555 1_555
O23 O22 O03 138.4(18) 8_556 1_555 1_565
O23 O22 C25 138(2) 8_556 1_555 1_555
O23 O22 O12 59.0(14) 8_556 1_555 6_545
O23 O22 C24 143(2) 8_556 1_555 1_555
O23 O22 O21 56.5(14) 8_556 1_555 8_566
O23 O22 O23 95.3(17) 8_556 1_555 1_555
O23 O22 O11 91.2(16) 8_556 1_555 6_555
O23 O22 O21 116.0(18) 8_556 1_555 1_555
O23 O22 Ga1 38.5(12) 8_556 1_555 6_555
O23 O22 P21 123(2) 8_556 1_555 1_555
Ga1 O23 P21 147(2) 3_555 1_555 1_555
C24 O23 Ga1 147(2) 1_555 1_555 3_555
C24 O23 P21 51.1(14) 1_555 1_555 1_555
O22 O23 C24 69.8(14) 1_555 1_555 1_555
O22 O23 Ga1 115(2) 1_555 1_555 3_555
O22 O23 P21 33.3(18) 1_555 1_555 1_555
O21 O23 O22 57.3(19) 1_555 1_555 1_555
O21 O23 C24 70.9(17) 1_555 1_555 1_555
O21 O23 Ga1 141(2) 1_555 1_555 3_555
O21 O23 P21 32.0(19) 1_555 1_555 1_555
O01 O23 O21 147(2) 3_555 1_555 1_555
O01 O23 O22 155(3) 3_555 1_555 1_555
O01 O23 C24 110.2(15) 3_555 1_555 1_555
O01 O23 Ga1 51.3(12) 3_555 1_555 3_555
O01 O23 P21 161(2) 3_555 1_555 1_555
O21 O23 O01 70.3(17) 1_545 1_555 3_555
O21 O23 O21 142(2) 1_545 1_555 1_555
O21 O23 O22 86(2) 1_545 1_555 1_555
O21 O23 C24 108(2) 1_545 1_555 1_555
O21 O23 Ga1 43.7(14) 1_545 1_555 3_555
O21 O23 P21 117(3) 1_545 1_555 1_555
O12 O23 O21 87.3(18) 3_565 1_555 1_545
O12 O23 O01 57.3(13) 3_565 1_555 3_555
O12 O23 O21 108(2) 3_565 1_555 1_555
O12 O23 O22 130.5(17) 3_565 1_555 1_555
O12 O23 C24 156.6(18) 3_565 1_555 1_555
O12 O23 Ga1 43.6(12) 3_565 1_555 3_555
O12 O23 P21 137(3) 3_565 1_555 1_555
C23 O23 O12 131.9(16) 1_555 1_555 3_565
C23 O23 O21 122.8(17) 1_555 1_555 1_545
C23 O23 O01 95.6(12) 1_555 1_555 3_555
C23 O23 O21 72.2(15) 1_555 1_555 1_555
C23 O23 O22 91.4(16) 1_555 1_555 1_555
C23 O23 C24 24.7(4) 1_555 1_555 1_555
C23 O23 Ga1 145.3(18) 1_555 1_555 3_555
C23 O23 P21 65.2(16) 1_555 1_555 1_555
C25 O23 C23 45.4(5) 1_555 1_555 1_555
C25 O23 O12 165.2(19) 1_555 1_555 3_565
C25 O23 O21 85.4(16) 1_555 1_555 1_545
C25 O23 O01 108.1(14) 1_555 1_555 3_555
C25 O23 O21 85.2(17) 1_555 1_555 1_555
C25 O23 O22 61.8(12) 1_555 1_555 1_555
C25 O23 C24 23.0(5) 1_555 1_555 1_555
C25 O23 Ga1 127(2) 1_555 1_555 3_555
C25 O23 P21 57.3(15) 1_555 1_555 1_555
O22 O23 C25 128.9(17) 8_556 1_555 1_555
O22 O23 C23 174(2) 8_556 1_555 1_555
O22 O23 O12 53.4(13) 8_556 1_555 3_565
O22 O23 O21 52.8(15) 8_556 1_555 1_545
O22 O23 O01 86.2(17) 8_556 1_555 3_555
O22 O23 O21 109.0(17) 8_556 1_555 1_555
O22 O23 O22 84.7(17) 8_556 1_555 1_555
O22 O23 C24 150(2) 8_556 1_555 1_555
O22 O23 Ga1 35.4(11) 8_556 1_555 3_555
O22 O23 P21 113(2) 8_556 1_555 1_555
O21 P21 O22 108(3) 1_555 1_555 1_555
O23 P21 O21 116(3) 1_555 1_555 1_555
O23 P21 O22 113(3) 1_555 1_555 1_555
C24 P21 O23 86.3(18) 1_555 1_555 1_555
C24 P21 O21 118(2) 1_555 1_555 1_555
C24 P21 O22 114(2) 1_555 1_555 1_555
C25 P21 C24 28.4(4) 1_555 1_555 1_555
C25 P21 O23 93.7(19) 1_555 1_555 1_555
C25 P21 O21 137(2) 1_555 1_555 1_555
C25 P21 O22 86.1(18) 1_555 1_555 1_555
C23 P21 C25 52.1(4) 1_555 1_555 1_555
C23 P21 C24 24.0(4) 1_555 1_555 1_555
C23 P21 O23 84.9(16) 1_555 1_555 1_555
C23 P21 O21 97.4(18) 1_555 1_555 1_555
C23 P21 O22 136.5(18) 1_555 1_555 1_555
O21 P21 C23 159.2(14) 8_566 1_555 1_555
O21 P21 C25 145.2(13) 8_566 1_555 1_555
O21 P21 C24 171.1(15) 8_566 1_555 1_555
O21 P21 O23 101.6(18) 8_566 1_555 1_555
O21 P21 O21 62(2) 8_566 1_555 1_555
O21 P21 O22 59.1(18) 8_566 1_555 1_555
Ga1 P21 O21 35.7(9) 6_555 1_555 8_566
Ga1 P21 C23 158.4(9) 6_555 1_555 1_555
Ga1 P21 C25 109.5(9) 6_555 1_555 1_555
Ga1 P21 C24 137.6(13) 6_555 1_555 1_555
Ga1 P21 O23 109.7(18) 6_555 1_555 1_555
Ga1 P21 O21 90.4(17) 6_555 1_555 1_555
Ga1 P21 O22 23.4(14) 6_555 1_555 1_555
C21 C01 C01 125.265 1_555 1_555 2_655
C11 C01 C21 119.224 1_555 1_555 1_555
C11 C01 C01 115.254 1_555 1_555 2_655
C11 C01 C11 148.410 2_655 1_555 1_555
C11 C01 C21 92.279 2_655 1_555 1_555
C11 C01 C01 33.161 2_655 1_555 2_655
C26 C01 C11 115.578 1_555 1_555 2_655
C26 C01 C11 95.153 1_555 1_555 1_555
C26 C01 C21 29.345 1_555 1_555 1_555
C26 C01 C01 147.354 1_555 1_555 2_655
C12 C01 C26 112.730 1_555 1_555 1_555
C12 C01 C11 122.661 1_555 1_555 2_655
C12 C01 C11 29.345 1_555 1_555 1_555
C12 C01 C21 141.610 1_555 1_555 1_555
C12 C01 C01 91.470 1_555 1_555 2_655
C22 C01 C12 168.550 1_555 1_555 1_555
C22 C01 C26 58.693 1_555 1_555 1_555
C22 C01 C11 68.746 1_555 1_555 2_655
C22 C01 C11 139.588 1_555 1_555 1_555
C22 C01 C21 29.349 1_555 1_555 1_555
C22 C01 C01 99.465 1_555 1_555 2_655
C16 C01 C22 110.318 1_555 1_555 1_555
C16 C01 C12 58.695 1_555 1_555 1_555
C16 C01 C26 76.710 1_555 1_555 1_555
C16 C01 C11 160.972 1_555 1_555 2_655
C16 C01 C11 29.350 1_555 1_555 1_555
C16 C01 C21 93.857 1_555 1_555 1_555
C16 C01 C01 135.904 1_555 1_555 2_655
C21 C01 C16 109.015 2_655 1_555 1_555
C21 C01 C22 123.674 2_655 1_555 1_555
C21 C01 C12 66.140 2_655 1_555 1_555
C21 C01 C26 170.579 2_655 1_555 1_555
C21 C01 C11 61.081 2_655 1_555 2_655
C21 C01 C11 87.411 2_655 1_555 1_555
C21 C01 C21 152.122 2_655 1_555 1_555
C21 C01 C01 28.009 2_655 1_555 2_655
C12 C01 C21 86.985 2_655 1_555 2_655
C12 C01 C16 163.556 2_655 1_555 1_555
C12 C01 C22 55.331 2_655 1_555 1_555
C12 C01 C12 134.896 2_655 1_555 1_555
C12 C01 C26 87.956 2_655 1_555 1_555
C12 C01 C11 29.102 2_655 1_555 2_655
C12 C01 C11 162.749 2_655 1_555 1_555
C12 C01 C21 69.714 2_655 1_555 1_555
C12 C01 C01 59.476 2_655 1_555 2_655
C22 C01 C12 112.963 2_655 1_555 2_655
C22 C01 C21 27.286 2_655 1_555 2_655
C22 C01 C16 82.422 2_655 1_555 1_555
C22 C01 C22 132.502 2_655 1_555 1_555
C22 C01 C12 52.969 2_655 1_555 1_555
C22 C01 C26 159.073 2_655 1_555 1_555
C22 C01 C11 85.008 2_655 1_555 2_655
C22 C01 C11 65.094 2_655 1_555 1_555
C22 C01 C21 157.415 2_655 1_555 1_555
C22 C01 C01 53.563 2_655 1_555 2_655
C13 C14 C15 120.000 1_555 1_555 1_555
P11 C14 C13 121.1(7) 1_555 1_555 1_555
P11 C14 C15 117.8(8) 1_555 1_555 1_555
C16 C14 P11 146.9(9) 1_555 1_555 1_555
C16 C14 C13 90.004 1_555 1_555 1_555
C16 C14 C15 29.996 1_555 1_555 1_555
C12 C14 C16 60.003 1_555 1_555 1_555
C12 C14 P11 150.0(6) 1_555 1_555 1_555
C12 C14 C13 30.001 1_555 1_555 1_555
C12 C14 C15 89.999 1_555 1_555 1_555
O13 C14 C12 114.1(7) 1_555 1_555 1_555
O13 C14 C16 151.6(10) 1_555 1_555 1_555
O13 C14 P11 36.7(9) 1_555 1_555 1_555
O13 C14 C13 87.9(8) 1_555 1_555 1_555
O13 C14 C15 141.2(11) 1_555 1_555 1_555
O11 C14 O13 58.6(11) 1_555 1_555 1_555
O11 C14 C12 143.2(9) 1_555 1_555 1_555
O11 C14 C16 144.1(8) 1_555 1_555 1_555
O11 C14 P11 31.8(12) 1_555 1_555 1_555
O11 C14 C13 117.2(9) 1_555 1_555 1_555
O11 C14 C15 118.2(8) 1_555 1_555 1_555
O12 C14 O11 57.4(13) 1_555 1_555 1_555
O12 C14 O13 55.3(12) 1_555 1_555 1_555
O12 C14 C12 152.8(10) 1_555 1_555 1_555
O12 C14 C16 115.7(9) 1_555 1_555 1_555
O12 C14 P11 32.3(13) 1_555 1_555 1_555
O12 C14 C13 141.0(9) 1_555 1_555 1_555
O12 C14 C15 89.2(9) 1_555 1_555 1_555
C11 C14 O12 139.8(9) 1_555 1_555 1_555
C11 C14 O11 158.5(8) 1_555 1_555 1_555
C11 C14 O13 138.0(6) 1_555 1_555 1_555
C11 C14 C12 29.999 1_555 1_555 1_555
C11 C14 C16 30.004 1_555 1_555 1_555
C11 C14 P11 169.7(10) 1_555 1_555 1_555
C11 C14 C13 60.001 1_555 1_555 1_555
C11 C14 C15 60.000 1_555 1_555 1_555
C16 C15 C14 120.010 1_555 1_555 1_555
C11 C15 C16 30.007 1_555 1_555 1_555
C11 C15 C14 90.002 1_555 1_555 1_555
C13 C15 C11 60.000 1_555 1_555 1_555
C13 C15 C16 90.007 1_555 1_555 1_555
C13 C15 C14 30.002 1_555 1_555 1_555
P11 C15 C13 64.7(5) 1_555 1_555 1_555
P11 C15 C11 124.3(5) 1_555 1_555 1_555
P11 C15 C16 153.8(4) 1_555 1_555 1_555
P11 C15 C14 35.1(5) 1_555 1_555 1_555
C12 C15 P11 94.5(5) 1_555 1_555 1_555
C12 C15 C13 30.002 1_555 1_555 1_555
C12 C15 C11 29.998 1_555 1_555 1_555
C12 C15 C16 60.006 1_555 1_555 1_555
C12 C15 C14 60.004 1_555 1_555 1_555
O12 C15 C12 118.2(8) 1_555 1_555 1_555
O12 C15 P11 31.0(10) 1_555 1_555 1_555
O12 C15 C13 91.1(8) 1_555 1_555 1_555
O12 C15 C11 143.1(8) 1_555 1_555 1_555
O12 C15 C16 155.8(9) 1_555 1_555 1_555
O12 C15 C14 63.9(8) 1_555 1_555 1_555
O04 C15 O12 109.2(11) 6_545 1_555 1_555
O04 C15 C12 107.6(6) 6_545 1_555 1_555
O04 C15 P11 101.0(8) 6_545 1_555 1_555
O04 C15 C13 108.4(6) 6_545 1_555 1_555
O04 C15 C11 102.0(6) 6_545 1_555 1_555
O04 C15 C16 93.4(7) 6_545 1_555 1_555
O04 C15 C14 104.1(6) 6_545 1_555 1_555
C11 C16 C15 119.989 1_555 1_555 1_555
C14 C16 C11 89.995 1_555 1_555 1_555
C14 C16 C15 29.994 1_555 1_555 1_555
C12 C16 C14 60.002 1_555 1_555 1_555
C12 C16 C11 29.993 1_555 1_555 1_555
C12 C16 C15 89.996 1_555 1_555 1_555
C01 C16 C12 60.651 1_555 1_555 1_555
C01 C16 C14 120.653 1_555 1_555 1_555
C01 C16 C11 30.658 1_555 1_555 1_555
C01 C16 C15 150.647 1_555 1_555 1_555
C13 C16 C01 90.652 1_555 1_555 1_555
C13 C16 C12 30.001 1_555 1_555 1_555
C13 C16 C14 30.001 1_555 1_555 1_555
C13 C16 C11 59.994 1_555 1_555 1_555
C13 C16 C15 59.995 1_555 1_555 1_555
C21 C16 C13 116.231 1_555 1_555 1_555
C21 C16 C01 29.466 1_555 1_555 1_555
C21 C16 C12 87.129 1_555 1_555 1_555
C21 C16 C14 144.648 1_555 1_555 1_555
C21 C16 C11 58.088 1_555 1_555 1_555
C21 C16 C15 166.097 1_555 1_555 1_555
C26 C16 C21 26.785 1_555 1_555 1_555
C26 C16 C13 118.950 1_555 1_555 1_555
C26 C16 C01 51.643 1_555 1_555 1_555
C26 C16 C12 96.410 1_555 1_555 1_555
C26 C16 C14 136.614 1_555 1_555 1_555
C26 C16 C11 73.107 1_555 1_555 1_555
C26 C16 C15 140.783 1_555 1_555 1_555
C16 C11 C12 120.009 1_555 1_555 1_555
C01 C11 C16 119.993 1_555 1_555 1_555
C01 C11 C12 119.998 1_555 1_555 1_555
C01 C11 C01 31.585 2_655 1_555 1_555
C01 C11 C16 141.280 2_655 1_555 1_555
C01 C11 C12 94.103 2_655 1_555 1_555
C15 C11 C01 160.442 1_555 1_555 2_655
C15 C11 C01 149.996 1_555 1_555 1_555
C15 C11 C16 30.003 1_555 1_555 1_555
C15 C11 C12 90.006 1_555 1_555 1_555
C13 C11 C15 60.001 1_555 1_555 1_555
C13 C11 C01 122.222 1_555 1_555 2_655
C13 C11 C01 150.003 1_555 1_555 1_555
C13 C11 C16 90.004 1_555 1_555 1_555
C13 C11 C12 30.005 1_555 1_555 1_555
C21 C11 C13 163.517 1_555 1_555 1_555
C21 C11 C15 122.356 1_555 1_555 1_555
C21 C11 C01 61.892 1_555 1_555 2_655
C21 C11 C01 30.387 1_555 1_555 1_555
C21 C11 C16 93.685 1_555 1_555 1_555
C21 C11 C12 142.960 1_555 1_555 1_555
C22 C11 C21 113.678 2_655 1_555 1_555
C22 C11 C13 78.015 2_655 1_555 1_555
C22 C11 C15 108.679 2_655 1_555 1_555
C22 C11 C01 56.752 2_655 1_555 2_655
C22 C11 C01 86.273 2_655 1_555 1_555
C22 C11 C16 119.323 2_655 1_555 1_555
C22 C11 C12 64.868 2_655 1_555 1_555
C14 C11 C22 93.731 1_555 1_555 2_655
C14 C11 C21 149.608 1_555 1_555 1_555
C14 C11 C13 30.003 1_555 1_555 1_555
C14 C11 C15 29.998 1_555 1_555 1_555
C14 C11 C01 148.420 1_555 1_555 2_655
C14 C11 C01 179.994 1_555 1_555 1_555
C14 C11 C16 60.001 1_555 1_555 1_555
C14 C11 C12 60.008 1_555 1_555 1_555
C21 C11 C14 117.955 2_655 1_555 1_555
C21 C11 C22 28.768 2_655 1_555 2_655
C21 C11 C21 92.145 2_655 1_555 1_555
C21 C11 C13 94.389 2_655 1_555 1_555
C21 C11 C15 137.335 2_655 1_555 1_555
C21 C11 C01 30.543 2_655 1_555 2_655
C21 C11 C01 62.050 2_655 1_555 1_555
C21 C11 C16 143.602 2_655 1_555 1_555
C21 C11 C12 70.352 2_655 1_555 1_555
C26 C11 C21 117.190 1_555 1_555 2_655
C26 C11 C14 124.263 1_555 1_555 1_555
C26 C11 C22 141.404 1_555 1_555 2_655
C26 C11 C21 27.889 1_555 1_555 1_555
C26 C11 C13 138.457 1_555 1_555 1_555
C26 C11 C15 103.106 1_555 1_555 1_555
C26 C11 C01 86.753 1_555 1_555 2_655
C26 C11 C01 55.732 1_555 1_555 1_555
C26 C11 C16 80.191 1_555 1_555 1_555
C26 C11 C12 137.164 1_555 1_555 1_555
C13 C12 C11 119.994 1_555 1_555 1_555
C14 C12 C13 30.001 1_555 1_555 1_555
C14 C12 C11 89.993 1_555 1_555 1_555
C16 C12 C14 59.995 1_555 1_555 1_555
C16 C12 C13 89.997 1_555 1_555 1_555
C16 C12 C11 29.998 1_555 1_555 1_555
C01 C12 C16 60.655 1_555 1_555 1_555
C01 C12 C14 120.650 1_555 1_555 1_555
C01 C12 C13 150.651 1_555 1_555 1_555
C01 C12 C11 30.657 1_555 1_555 1_555
C22 C12 C01 75.037 2_655 1_555 1_555
C22 C12 C16 95.566 2_655 1_555 1_555
C22 C12 C14 110.626 2_655 1_555 1_555
C22 C12 C13 110.533 2_655 1_555 1_555
C22 C12 C11 84.758 2_655 1_555 1_555
C21 C12 C22 30.618 2_655 1_555 2_655
C21 C12 C01 57.954 2_655 1_555 1_555
C21 C12 C16 104.287 2_655 1_555 1_555
C21 C12 C14 140.417 2_655 1_555 1_555
C21 C12 C13 138.371 2_655 1_555 1_555
C21 C12 C11 80.794 2_655 1_555 1_555
C15 C12 C21 125.974 1_555 1_555 2_655
C15 C12 C22 105.031 1_555 1_555 2_655
C15 C12 C01 90.653 1_555 1_555 1_555
C15 C12 C16 29.999 1_555 1_555 1_555
C15 C12 C14 29.997 1_555 1_555 1_555
C15 C12 C13 59.998 1_555 1_555 1_555
C15 C12 C11 59.996 1_555 1_555 1_555
C01 C12 C15 114.248 2_655 1_555 1_555
C01 C12 C21 30.001 2_655 1_555 2_655
C01 C12 C22 54.270 2_655 1_555 2_655
C01 C12 C01 29.054 2_655 1_555 1_555
C01 C12 C16 85.465 2_655 1_555 1_555
C01 C12 C14 142.225 2_655 1_555 1_555
C01 C12 C13 163.413 2_655 1_555 1_555
C01 C12 C11 56.795 2_655 1_555 1_555
C12 C13 C14 119.997 1_555 1_555 1_555
C11 C13 C12 30.001 1_555 1_555 1_555
C11 C13 C14 89.996 1_555 1_555 1_555
C15 C13 C11 59.999 1_555 1_555 1_555
C15 C13 C12 90.000 1_555 1_555 1_555
C15 C13 C14 29.997 1_555 1_555 1_555
P11 C13 C15 62.8(4) 1_555 1_555 1_555
P11 C13 C11 122.4(5) 1_555 1_555 1_555
P11 C13 C12 151.9(5) 1_555 1_555 1_555
P11 C13 C14 33.2(4) 1_555 1_555 1_555
C16 C13 P11 92.6(5) 1_555 1_555 1_555
C16 C13 C15 29.998 1_555 1_555 1_555
C16 C13 C11 30.001 1_555 1_555 1_555
C16 C13 C12 60.003 1_555 1_555 1_555
C16 C13 C14 59.995 1_555 1_555 1_555
O13 C13 C16 117.1(8) 1_555 1_555 1_555
O13 C13 P11 32.3(6) 1_555 1_555 1_555
O13 C13 C15 90.2(7) 1_555 1_555 1_555
O13 C13 C11 141.8(9) 1_555 1_555 1_555
O13 C13 C12 154.9(8) 1_555 1_555 1_555
O13 C13 C14 63.3(6) 1_555 1_555 1_555
C22 C21 C26 119.999 1_555 1_555 1_555
C01 C21 C22 119.998 1_555 1_555 1_555
C01 C21 C26 120.003 1_555 1_555 1_555
C25 C21 C01 150.004 1_555 1_555 1_555
C25 C21 C22 89.998 1_555 1_555 1_555
C25 C21 C26 30.002 1_555 1_555 1_555
C23 C21 C25 59.997 1_555 1_555 1_555
C23 C21 C01 149.999 1_555 1_555 1_555
C23 C21 C22 30.001 1_555 1_555 1_555
C23 C21 C26 89.999 1_555 1_555 1_555
C11 C21 C23 161.021 1_555 1_555 1_555
C11 C21 C25 123.266 1_555 1_555 1_555
C11 C21 C01 30.390 1_555 1_555 1_555
C11 C21 C22 140.829 1_555 1_555 1_555
C11 C21 C26 95.014 1_555 1_555 1_555
C01 C21 C11 57.027 2_655 1_555 1_555
C01 C21 C23 125.670 2_655 1_555 1_555
C01 C21 C25 164.552 2_655 1_555 1_555
C01 C21 C01 26.726 2_655 1_555 1_555
C01 C21 C22 96.708 2_655 1_555 1_555
C01 C21 C26 140.925 2_655 1_555 1_555
C12 C21 C01 55.906 2_655 1_555 2_655
C12 C21 C11 109.454 2_655 1_555 1_555
C12 C21 C23 81.969 2_655 1_555 1_555
C12 C21 C25 115.588 2_655 1_555 1_555
C12 C21 C01 80.285 2_655 1_555 1_555
C12 C21 C22 65.750 2_655 1_555 1_555
C12 C21 C26 125.406 2_655 1_555 1_555
C24 C21 C12 99.710 1_555 1_555 2_655
C24 C21 C01 153.268 1_555 1_555 2_655
C24 C21 C11 149.616 1_555 1_555 1_555
C24 C21 C23 29.996 1_555 1_555 1_555
C24 C21 C25 30.001 1_555 1_555 1_555
C24 C21 C01 179.994 1_555 1_555 1_555
C24 C21 C22 59.997 1_555 1_555 1_555
C24 C21 C26 60.002 1_555 1_555 1_555
C11 C21 C24 122.816 2_655 1_555 1_555
C11 C21 C12 28.853 2_655 1_555 2_655
C11 C21 C01 30.539 2_655 1_555 2_655
C11 C21 C11 87.545 2_655 1_555 1_555
C11 C21 C23 97.391 2_655 1_555 1_555
C11 C21 C25 144.106 2_655 1_555 1_555
C11 C21 C01 57.178 2_655 1_555 1_555
C11 C21 C22 71.385 2_655 1_555 1_555
C11 C21 C26 149.448 2_655 1_555 1_555
C16 C21 C11 111.714 1_555 1_555 2_655
C16 C21 C24 123.329 1_555 1_555 1_555
C16 C21 C12 136.956 1_555 1_555 2_655
C16 C21 C01 81.867 1_555 1_555 2_655
C16 C21 C11 28.227 1_555 1_555 1_555
C16 C21 C23 136.248 1_555 1_555 1_555
C16 C21 C25 103.255 1_555 1_555 1_555
C16 C21 C01 56.677 1_555 1_555 1_555
C16 C21 C22 134.567 1_555 1_555 1_555
C16 C21 C26 81.241 1_555 1_555 1_555
C23 C22 C21 119.999 1_555 1_555 1_555
C26 C22 C23 90.001 1_555 1_555 1_555
C26 C22 C21 29.998 1_555 1_555 1_555
C24 C22 C26 60.004 1_555 1_555 1_555
C24 C22 C23 29.997 1_555 1_555 1_555
C24 C22 C21 90.002 1_555 1_555 1_555
C01 C22 C24 120.655 1_555 1_555 1_555
C01 C22 C26 60.651 1_555 1_555 1_555
C01 C22 C23 150.652 1_555 1_555 1_555
C01 C22 C21 30.653 1_555 1_555 1_555
C12 C22 C01 70.399 2_655 1_555 1_555
C12 C22 C24 118.086 2_655 1_555 1_555
C12 C22 C26 98.008 2_655 1_555 1_555
C12 C22 C23 117.594 2_655 1_555 1_555
C12 C22 C21 83.633 2_655 1_555 1_555
C11 C22 C12 30.374 2_655 1_555 2_655
C11 C22 C01 54.502 2_655 1_555 1_555
C11 C22 C24 147.295 2_655 1_555 1_555
C11 C22 C26 105.547 2_655 1_555 1_555
C11 C22 C23 144.774 2_655 1_555 1_555
C11 C22 C21 79.847 2_655 1_555 1_555
C25 C22 C11 129.835 1_555 1_555 2_655
C25 C22 C12 110.626 1_555 1_555 2_655
C25 C22 C01 90.654 1_555 1_555 1_555
C25 C22 C24 30.002 1_555 1_555 1_555
C25 C22 C26 30.002 1_555 1_555 1_555
C25 C22 C23 59.999 1_555 1_555 1_555
C25 C22 C21 60.001 1_555 1_555 1_555
C01 C22 C25 114.665 2_655 1_555 1_555
C01 C22 C11 28.632 2_655 1_555 2_655
C01 C22 C12 51.994 2_655 1_555 2_655
C01 C22 C01 26.972 2_655 1_555 1_555
C01 C22 C24 143.579 2_655 1_555 1_555
C01 C22 C26 85.302 2_655 1_555 1_555
C01 C22 C23 167.529 2_655 1_555 1_555
C01 C22 C21 56.006 2_655 1_555 1_555
C22 C23 C24 120.001 1_555 1_555 1_555
C25 C23 C22 89.999 1_555 1_555 1_555
C25 C23 C24 30.002 1_555 1_555 1_555
C21 C23 C25 59.999 1_555 1_555 1_555
C21 C23 C22 30.000 1_555 1_555 1_555
C21 C23 C24 90.001 1_555 1_555 1_555
C26 C23 C21 29.997 1_555 1_555 1_555
C26 C23 C25 30.002 1_555 1_555 1_555
C26 C23 C22 59.997 1_555 1_555 1_555
C26 C23 C24 60.004 1_555 1_555 1_555
P21 C23 C26 90.7(5) 1_555 1_555 1_555
P21 C23 C21 120.5(5) 1_555 1_555 1_555
P21 C23 C25 60.9(6) 1_555 1_555 1_555
P21 C23 C22 150.2(5) 1_555 1_555 1_555
P21 C23 C24 31.2(6) 1_555 1_555 1_555
O23 C23 P21 29.8(10) 1_555 1_555 1_555
O23 C23 C26 96.5(9) 1_555 1_555 1_555
O23 C23 C21 123.6(9) 1_555 1_555 1_555
O23 C23 C25 69.1(8) 1_555 1_555 1_555
O23 C23 C22 147.7(9) 1_555 1_555 1_555
O23 C23 C24 43.0(8) 1_555 1_555 1_555
C25 C24 C23 119.999 1_555 1_555 1_555
P21 C24 C25 114.3(9) 1_555 1_555 1_555
P21 C24 C23 124.8(9) 1_555 1_555 1_555
O23 C24 P21 42.5(14) 1_555 1_555 1_555
O23 C24 C25 117.4(12) 1_555 1_555 1_555
O23 C24 C23 112.4(10) 1_555 1_555 1_555
C22 C24 O23 134.8(10) 1_555 1_555 1_555
C22 C24 P21 153.8(10) 1_555 1_555 1_555
C22 C24 C25 89.998 1_555 1_555 1_555
C22 C24 C23 30.002 1_555 1_555 1_555
C26 C24 C22 59.997 1_555 1_555 1_555
C26 C24 O23 138.7(13) 1_555 1_555 1_555
C26 C24 P21 143.7(8) 1_555 1_555 1_555
C26 C24 C25 30.001 1_555 1_555 1_555
C26 C24 C23 89.999 1_555 1_555 1_555
O22 C24 C26 113.8(9) 1_555 1_555 1_555
O22 C24 C22 164.8(10) 1_555 1_555 1_555
O22 C24 O23 59.6(13) 1_555 1_555 1_555
O22 C24 P21 29.9(12) 1_555 1_555 1_555
O22 C24 C25 84.7(9) 1_555 1_555 1_555
O22 C24 C23 151.9(11) 1_555 1_555 1_555
C21 C24 O22 142.2(8) 1_555 1_555 1_555
C21 C24 C26 29.996 1_555 1_555 1_555
C21 C24 C22 30.001 1_555 1_555 1_555
C21 C24 O23 147.2(11) 1_555 1_555 1_555
C21 C24 P21 169.5(9) 1_555 1_555 1_555
C21 C24 C25 59.997 1_555 1_555 1_555
C21 C24 C23 60.002 1_555 1_555 1_555
O21 C24 C21 148.7(8) 1_555 1_555 1_555
O21 C24 O22 52.2(13) 1_555 1_555 1_555
O21 C24 C26 152.6(10) 1_555 1_555 1_555
O21 C24 C22 126.3(8) 1_555 1_555 1_555
O21 C24 O23 59.9(15) 1_555 1_555 1_555
O21 C24 P21 28.3(13) 1_555 1_555 1_555
O21 C24 C25 133.1(9) 1_555 1_555 1_555
O21 C24 C23 99.9(8) 1_555 1_555 1_555
C26 C25 C24 119.999 1_555 1_555 1_555
C23 C25 C26 90.001 1_555 1_555 1_555
C23 C25 C24 29.998 1_555 1_555 1_555
C21 C25 C23 60.004 1_555 1_555 1_555
C21 C25 C26 29.997 1_555 1_555 1_555
C21 C25 C24 90.002 1_555 1_555 1_555
P21 C25 C21 126.6(6) 1_555 1_555 1_555
P21 C25 C23 67.0(6) 1_555 1_555 1_555
P21 C25 C26 156.1(6) 1_555 1_555 1_555
P21 C25 C24 37.3(5) 1_555 1_555 1_555
C22 C25 P21 96.8(6) 1_555 1_555 1_555
C22 C25 C21 30.002 1_555 1_555 1_555
C22 C25 C23 30.002 1_555 1_555 1_555
C22 C25 C26 59.999 1_555 1_555 1_555
C22 C25 C24 60.001 1_555 1_555 1_555
O22 C25 C22 125.7(10) 1_555 1_555 1_555
O22 C25 P21 30.4(10) 1_555 1_555 1_555
O22 C25 C21 153.6(10) 1_555 1_555 1_555
O22 C25 C23 96.7(9) 1_555 1_555 1_555
O22 C25 C26 165.2(9) 1_555 1_555 1_555
O22 C25 C24 67.5(9) 1_555 1_555 1_555
O23 C25 O22 48.7(11) 1_555 1_555 1_555
O23 C25 C22 93.1(7) 1_555 1_555 1_555
O23 C25 P21 29.0(10) 1_555 1_555 1_555
O23 C25 C21 120.4(7) 1_555 1_555 1_555
O23 C25 C23 65.5(8) 1_555 1_555 1_555
O23 C25 C26 145.5(7) 1_555 1_555 1_555
O23 C25 C24 39.6(9) 1_555 1_555 1_555
O03 C25 O23 90.1(10) 1_555 1_555 1_555
O03 C25 O22 67.2(12) 1_555 1_555 1_555
O03 C25 C22 163.9(7) 1_555 1_555 1_555
O03 C25 P21 93.6(8) 1_555 1_555 1_555
O03 C25 C21 139.0(6) 1_555 1_555 1_555
O03 C25 C23 155.4(6) 1_555 1_555 1_555
O03 C25 C26 110.2(6) 1_555 1_555 1_555
O03 C25 C24 127.9(6) 1_555 1_555 1_555
C25 C26 C21 120.001 1_555 1_555 1_555
C22 C26 C25 89.999 1_555 1_555 1_555
C22 C26 C21 30.002 1_555 1_555 1_555
C24 C26 C22 59.999 1_555 1_555 1_555
C24 C26 C25 30.000 1_555 1_555 1_555
C24 C26 C21 90.001 1_555 1_555 1_555
C01 C26 C24 120.654 1_555 1_555 1_555
C01 C26 C22 60.655 1_555 1_555 1_555
C01 C26 C25 150.654 1_555 1_555 1_555
C01 C26 C21 30.653 1_555 1_555 1_555
C23 C26 C01 90.657 1_555 1_555 1_555
C23 C26 C24 29.997 1_555 1_555 1_555
C23 C26 C22 30.002 1_555 1_555 1_555
C23 C26 C25 59.997 1_555 1_555 1_555
C23 C26 C21 60.004 1_555 1_555 1_555
C11 C26 C23 114.751 1_555 1_555 1_555
C11 C26 C01 29.116 1_555 1_555 1_555
C11 C26 C24 142.846 1_555 1_555 1_555
C11 C26 C22 85.877 1_555 1_555 1_555
C11 C26 C25 164.116 1_555 1_555 1_555
C11 C26 C21 57.097 1_555 1_555 1_555
C16 C26 C11 26.701 1_555 1_555 1_555
C16 C26 C23 116.565 1_555 1_555 1_555
C16 C26 C01 51.647 1_555 1_555 1_555
C16 C26 C24 134.027 1_555 1_555 1_555
C16 C26 C22 94.564 1_555 1_555 1_555
C16 C26 C25 139.163 1_555 1_555 1_555
C16 C26 C21 71.975 1_555 1_555 1_555
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ga1 O22 1.92(4) 1_555 6_545
Ga1 O21 1.94(5) 1_555 3_564
Ga1 O11 2.02(4) 1_555 1_555
Ga1 O12 2.04(5) 1_555 1_545
Ga1 O23 2.06(5) 1_555 3_554
Ga1 O01 2.09(3) 1_555 1_555
Ga1 P21 3.20(2) 1_555 6_545
O01 Ga1 2.09(3) 1_555 1_555
O01 O02 2.20(3) 1_555 4_655
O01 O02 2.35(3) 1_555 1_555
O01 O23 2.63(6) 1_555 3_554
O01 O12 2.69(5) 1_555 1_545
O01 O13 2.85(6) 1_555 1_555
O01 O13 3.00(6) 1_555 1_545
O01 O11 3.07(5) 1_555 1_555
O01 O21 3.14(5) 1_555 3_564
O02 O02 2.05(5) 1_555 4_655
O02 O13 2.14(4) 1_555 1_555
O02 O01 2.20(3) 1_555 4_655
O02 O01 2.35(3) 1_555 1_555
O02 O13 2.47(4) 1_555 4_665
O02 O02 3.05(5) 1_555 4_665
O03 O11 2.26(5) 1_555 6_545
O03 P11 2.87(4) 1_555 6_545
O03 O04 2.93(5) 1_555 1_545
O03 O22 3.04(6) 1_555 1_545
O03 O12 3.04(6) 1_555 6_545
O03 C25 3.20(4) 1_555 1_555
O04 O03 2.93(5) 1_555 1_565
O04 O04 2.98(3) 1_555 6_555
O04 O04 2.98(3) 1_555 6_545
O04 C15 3.12(3) 1_555 6_555
P11 O11 1.55(5) 1_555 1_555
P11 O13 1.56(3) 1_555 1_555
P11 O12 1.58(5) 1_555 1_555
P11 C14 1.75(2) 1_555 1_555
P11 C15 2.690(19) 1_555 1_555
P11 C13 2.73(2) 1_555 1_555
P11 O03 2.87(4) 1_555 6_555
O11 P11 1.55(5) 1_555 1_555
O11 Ga1 2.02(4) 1_555 1_555
O11 O03 2.26(5) 1_555 6_555
O11 O22 2.47(7) 1_555 6_545
O11 O13 2.60(5) 1_555 1_555
O11 O12 2.60(6) 1_555 1_545
O11 O12 2.64(6) 1_555 1_555
O11 C14 2.74(5) 1_555 1_555
O11 O21 3.02(7) 1_555 3_564
O11 O01 3.07(5) 1_555 1_555
O12 P11 1.58(5) 1_555 1_555
O12 Ga1 2.04(5) 1_555 1_565
O12 O13 2.47(6) 1_555 1_555
O12 O11 2.60(6) 1_555 1_565
O12 O11 2.64(6) 1_555 1_555
O12 O01 2.69(5) 1_555 1_565
O12 C14 2.75(5) 1_555 1_555
O12 O22 2.76(7) 1_555 6_555
O12 O23 2.95(6) 1_555 3_564
O12 O03 3.04(6) 1_555 6_555
O12 C15 3.06(5) 1_555 1_555
O13 P11 1.56(3) 1_555 1_555
O13 O02 2.14(4) 1_555 1_555
O13 O02 2.47(4) 1_555 4_665
O13 O12 2.47(6) 1_555 1_555
O13 C14 2.57(3) 1_555 1_555
O13 O11 2.60(5) 1_555 1_555
O13 O01 2.85(6) 1_555 1_555
O13 C13 2.87(4) 1_555 1_555
O13 O01 3.00(6) 1_555 1_565
O21 P21 1.52(5) 1_555 1_555
O21 Ga1 1.94(5) 1_555 3_565
O21 O22 2.45(7) 1_555 1_555
O21 O23 2.59(7) 1_555 1_555
O21 O22 2.68(6) 1_555 8_566
O21 O21 2.76(7) 1_555 8_566
O21 O23 2.81(7) 1_555 1_565
O21 C24 2.83(4) 1_555 1_555
O21 O11 3.02(7) 1_555 3_565
O21 P21 3.13(4) 1_555 8_566
O21 O01 3.14(5) 1_555 3_565
O22 P21 1.50(5) 1_555 1_555
O22 Ga1 1.92(4) 1_555 6_555
O22 O21 2.45(7) 1_555 1_555
O22 O11 2.47(7) 1_555 6_555
O22 O23 2.52(6) 1_555 1_555
O22 O21 2.68(6) 1_555 8_566
O22 C24 2.75(4) 1_555 1_555
O22 O12 2.76(7) 1_555 6_545
O22 C25 2.96(4) 1_555 1_555
O22 O03 3.04(6) 1_555 1_565
O22 O23 3.18(6) 1_555 8_556
O23 P21 1.53(5) 1_555 1_555
O23 Ga1 2.06(5) 1_555 3_555
O23 C24 2.26(4) 1_555 1_555
O23 O22 2.52(6) 1_555 1_555
O23 O21 2.59(7) 1_555 1_555
O23 O01 2.63(6) 1_555 3_555
O23 O21 2.81(7) 1_555 1_545
O23 O12 2.95(6) 1_555 3_565
O23 C23 3.07(4) 1_555 1_555
O23 C25 3.15(4) 1_555 1_555
O23 O22 3.18(6) 1_555 8_556
P21 O22 1.50(5) 1_555 1_555
P21 O21 1.52(5) 1_555 1_555
P21 O23 1.53(5) 1_555 1_555
P21 C24 1.76(2) 1_555 1_555
P21 C25 2.65(2) 1_555 1_555
P21 C23 2.80(2) 1_555 1_555
P21 O21 3.13(4) 1_555 8_566
P21 Ga1 3.20(2) 1_555 6_555
C01 C01 1.37979 1_555 2_655
C01 C21 1.44084 1_555 1_555
C01 C11 1.44097 1_555 1_555
C01 C11 2.38259 1_555 2_655
C01 C26 2.44739 1_555 1_555
C01 C12 2.44744 1_555 1_555
C01 C22 2.44749 1_555 1_555
C01 C16 2.44752 1_555 1_555
C01 C21 2.50509 1_555 2_655
C01 C12 2.84025 1_555 2_655
C01 C22 3.00078 1_555 2_655
C14 C15 1.38487 1_555 1_555
C14 C13 1.38508 1_555 1_555
C14 P11 1.75(2) 1_555 1_555
C14 C16 2.39885 1_555 1_555
C14 C12 2.39900 1_555 1_555
C14 O13 2.57(3) 1_555 1_555
C14 O11 2.74(5) 1_555 1_555
C14 O12 2.75(5) 1_555 1_555
C14 C11 2.76991 1_555 1_555
C15 C14 1.38487 1_555 1_555
C15 C16 1.38494 1_555 1_555
C15 C11 2.39880 1_555 1_555
C15 C13 2.39885 1_555 1_555
C15 P11 2.690(19) 1_555 1_555
C15 C12 2.77001 1_555 1_555
C15 O12 3.06(5) 1_555 1_555
C15 O04 3.12(3) 1_555 6_545
C16 C15 1.38494 1_555 1_555
C16 C11 1.38510 1_555 1_555
C16 C14 2.39885 1_555 1_555
C16 C12 2.39903 1_555 1_555
C16 C01 2.44752 1_555 1_555
C16 C13 2.77009 1_555 1_555
C16 C21 2.92246 1_555 1_555
C16 C26 3.03746 1_555 1_555
C11 C12 1.38493 1_555 1_555
C11 C16 1.38510 1_555 1_555
C11 C01 1.44097 1_555 1_555
C11 C01 2.38259 1_555 2_655
C11 C15 2.39880 1_555 1_555
C11 C13 2.39883 1_555 1_555
C11 C21 2.48590 1_555 1_555
C11 C22 2.72748 1_555 2_655
C11 C14 2.76991 1_555 1_555
C11 C21 2.83298 1_555 2_655
C11 C26 2.94950 1_555 1_555
C12 C11 1.38493 1_555 1_555
C12 C13 1.38508 1_555 1_555
C12 C14 2.39900 1_555 1_555
C12 C16 2.39903 1_555 1_555
C12 C01 2.44744 1_555 1_555
C12 C22 2.47964 1_555 2_655
C12 C21 2.70285 1_555 2_655
C12 C15 2.77001 1_555 1_555
C12 C01 2.84025 1_555 2_655
C13 C14 1.38508 1_555 1_555
C13 C12 1.38508 1_555 1_555
C13 C11 2.39883 1_555 1_555
C13 C15 2.39885 1_555 1_555
C13 P11 2.73(2) 1_555 1_555
C13 C16 2.77009 1_555 1_555
C13 O13 2.87(4) 1_555 1_555
C21 C26 1.38494 1_555 1_555
C21 C22 1.38512 1_555 1_555
C21 C01 1.44084 1_555 1_555
C21 C25 2.39899 1_555 1_555
C21 C23 2.39911 1_555 1_555
C21 C11 2.48590 1_555 1_555
C21 C01 2.50509 1_555 2_655
C21 C12 2.70285 1_555 2_655
C21 C24 2.77019 1_555 1_555
C21 C11 2.83298 1_555 2_655
C21 C16 2.92246 1_555 1_555
C22 C21 1.38512 1_555 1_555
C22 C23 1.38514 1_555 1_555
C22 C26 2.39894 1_555 1_555
C22 C24 2.39899 1_555 1_555
C22 C01 2.44749 1_555 1_555
C22 C12 2.47964 1_555 2_655
C22 C11 2.72748 1_555 2_655
C22 C25 2.77009 1_555 1_555
C22 C01 3.00078 1_555 2_655
C23 C24 1.38494 1_555 1_555
C23 C22 1.38514 1_555 1_555
C23 C25 2.39894 1_555 1_555
C23 C21 2.39911 1_555 1_555
C23 C26 2.77014 1_555 1_555
C23 P21 2.80(2) 1_555 1_555
C23 O23 3.07(4) 1_555 1_555
C24 C23 1.38494 1_555 1_555
C24 C25 1.38512 1_555 1_555
C24 P21 1.76(2) 1_555 1_555
C24 O23 2.26(4) 1_555 1_555
C24 C22 2.39899 1_555 1_555
C24 C26 2.39911 1_555 1_555
C24 O22 2.75(4) 1_555 1_555
C24 C21 2.77019 1_555 1_555
C24 O21 2.83(4) 1_555 1_555
C25 C24 1.38512 1_555 1_555
C25 C26 1.38514 1_555 1_555
C25 C23 2.39894 1_555 1_555
C25 C21 2.39899 1_555 1_555
C25 P21 2.65(2) 1_555 1_555
C25 C22 2.77009 1_555 1_555
C25 O22 2.96(4) 1_555 1_555
C25 O23 3.15(4) 1_555 1_555
C25 O03 3.20(4) 1_555 1_555
C26 C21 1.38494 1_555 1_555
C26 C25 1.38514 1_555 1_555
C26 C22 2.39894 1_555 1_555
C26 C24 2.39911 1_555 1_555
C26 C01 2.44739 1_555 1_555
C26 C23 2.77014 1_555 1_555
C26 C11 2.94950 1_555 1_555
C26 C16 3.03746 1_555 1_555
loop_
_pd_proc_point_id
_pd_meas_2theta_scan
_pd_proc_intensity_total
_pd_calc_intensity_total
_pd_proc_ls_weight
1 3.00000 523.86188 545.00000 0.00183
2 3.01500 522.90041 537.00000 0.00186
3 3.03000 521.95355 555.00000 0.00180
4 3.04500 521.01669 530.00000 0.00189
5 3.06000 520.09660 525.00000 0.00190
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8 3.10500 517.43481 523.00000 0.00191
9 3.12000 516.57965 536.00000 0.00187
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14 3.19500 512.53517 536.00000 0.00187
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22 3.31500 506.81694 503.00000 0.00199
23 3.33000 506.16325 519.00000 0.00193
24 3.34500 505.52250 508.00000 0.00197
25 3.36000 504.89453 490.00000 0.00204
26 3.37500 504.27915 508.00000 0.00197
27 3.39000 503.67618 481.00000 0.00208
28 3.40500 503.08546 489.00000 0.00204
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36 3.52500 498.77982 521.00000 0.00192
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1729 28.92000 402.50697 351.00000 0.00285
1730 28.93500 395.52957 358.00000 0.00279
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1800 29.98500 202.43766 202.00000 0.00495
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1820 30.28500 174.30039 179.00000 0.00559
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1830 30.43500 175.25117 191.00000 0.00524
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1838 30.55500 182.14820 177.00000 0.00565
1839 30.57000 183.70744 173.00000 0.00578
1840 30.58500 185.47534 183.00000 0.00546
1841 30.60000 187.46394 184.00000 0.00543
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1859 30.87000 269.92297 295.00000 0.00339
1860 30.88500 282.41071 350.00000 0.00286
1861 30.90000 297.18418 337.00000 0.00297
1862 30.91500 314.34442 352.00000 0.00284
1863 30.93000 333.85089 382.00000 0.00262
1864 30.94500 355.48530 415.00000 0.00241
1865 30.96000 378.81377 427.00000 0.00234
1866 30.97500 403.14881 446.00000 0.00224
1867 30.99000 427.51600 498.00000 0.00201
1868 31.00500 450.63542 506.00000 0.00198
1869 31.02000 470.92809 514.00000 0.00195
1870 31.03500 486.57379 517.00000 0.00193
1871 31.05000 495.67342 524.00000 0.00191
1872 31.06500 496.60883 541.00000 0.00185
1873 31.08000 488.60240 521.00000 0.00192
1874 31.09500 472.15505 510.00000 0.00196
1875 31.11000 449.11655 480.00000 0.00208
1876 31.12500 422.14294 470.00000 0.00213
1877 31.14000 393.90848 440.00000 0.00227
1878 31.15500 366.51960 401.00000 0.00249
1879 31.17000 341.31709 392.00000 0.00255
1880 31.18500 318.98487 350.00000 0.00286
1881 31.20000 299.74088 312.00000 0.00321
1882 31.21500 283.52684 301.00000 0.00332
1883 31.23000 270.14200 294.00000 0.00340
1884 31.24500 259.32723 277.00000 0.00361
1885 31.26000 250.81343 267.00000 0.00375
1886 31.27500 244.35357 262.00000 0.00382
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1888 31.30500 236.79621 251.00000 0.00398
1889 31.32000 235.41544 242.00000 0.00413
1890 31.33500 235.52621 249.00000 0.00402
1891 31.35000 237.10432 232.00000 0.00431
1892 31.36500 240.16166 233.00000 0.00429
1893 31.38000 244.73205 240.00000 0.00417
1894 31.39500 250.85834 256.00000 0.00391
1895 31.41000 258.57083 256.00000 0.00391
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1897 31.44000 278.69013 283.00000 0.00353
1898 31.45500 290.89920 274.00000 0.00365
1899 31.47000 304.23967 288.00000 0.00347
1900 31.48500 318.30576 291.00000 0.00344
1901 31.50000 332.50584 297.00000 0.00337
1902 31.51500 346.05183 319.00000 0.00313
1903 31.53000 357.97804 307.00000 0.00326
1904 31.54500 367.30562 310.00000 0.00323
1905 31.56000 373.22975 317.00000 0.00315
1906 31.57500 375.34290 295.00000 0.00339
1907 31.59000 373.72149 299.00000 0.00334
1908 31.60500 368.82218 305.00000 0.00328
1909 31.62000 361.28362 290.00000 0.00345
1910 31.63500 351.81898 296.00000 0.00338
1911 31.65000 341.20868 301.00000 0.00332
1912 31.66500 330.29295 304.00000 0.00329
1913 31.68000 319.87961 294.00000 0.00340
1914 31.69500 310.59389 277.00000 0.00361
1915 31.71000 302.77914 272.00000 0.00368
1916 31.72500 296.47372 298.00000 0.00336
1917 31.74000 291.45297 278.00000 0.00360
1918 31.75500 287.29702 280.00000 0.00357
1919 31.77000 283.46593 286.00000 0.00350
1920 31.78500 279.39567 278.00000 0.00360
1921 31.80000 274.62468 275.00000 0.00364
1922 31.81500 268.91243 263.00000 0.00380
1923 31.83000 262.29381 267.00000 0.00375
1924 31.84500 255.02441 269.00000 0.00372
1925 31.86000 247.45522 251.00000 0.00398
1926 31.87500 239.92162 222.00000 0.00450
1927 31.89000 232.69332 236.00000 0.00424
1928 31.90500 225.96578 213.00000 0.00469
1929 31.92000 219.85985 213.00000 0.00469
1930 31.93500 214.41918 202.00000 0.00495
1931 31.95000 209.61382 210.00000 0.00476
1932 31.96500 205.35682 192.00000 0.00521
1933 31.98000 201.53338 185.00000 0.00541
1934 31.99500 198.03573 191.00000 0.00524
1935 32.01000 194.79077 187.00000 0.00535
1936 32.02500 191.77939 181.00000 0.00552
1937 32.04000 189.05045 181.00000 0.00552
1938 32.05500 186.65270 174.00000 0.00575
1939 32.07000 184.60829 177.00000 0.00565
1940 32.08500 182.93393 176.00000 0.00568
1941 32.10000 181.62588 181.00000 0.00552
1942 32.11500 180.66489 167.00000 0.00599
1943 32.13000 180.02158 188.00000 0.00532
1944 32.14500 179.66156 170.00000 0.00588
1945 32.16000 179.55147 171.00000 0.00585
1946 32.17500 179.66589 166.00000 0.00602
1947 32.19000 179.99791 177.00000 0.00565
1948 32.20500 180.56951 174.00000 0.00575
1949 32.22000 181.43216 171.00000 0.00585
1950 32.23500 182.66386 184.00000 0.00543
1951 32.25000 184.35216 176.00000 0.00568
1952 32.26500 186.57707 186.00000 0.00538
1953 32.28000 189.39870 194.00000 0.00515
1954 32.29500 192.84829 195.00000 0.00513
1955 32.31000 196.92086 205.00000 0.00488
1956 32.32500 201.56761 210.00000 0.00476
1957 32.34000 206.68663 218.00000 0.00459
1958 32.35500 212.11082 209.00000 0.00478
1959 32.37000 217.59310 221.00000 0.00452
1960 32.38500 222.79279 229.00000 0.00437
1961 32.40000 227.27377 239.00000 0.00418
1962 32.41500 230.53365 241.00000 0.00415
1963 32.43000 232.08463 262.00000 0.00382
1964 32.44500 231.58655 270.00000 0.00370
1965 32.46000 228.98561 254.00000 0.00394
1966 32.47500 224.57256 260.00000 0.00385
1967 32.49000 218.90066 265.00000 0.00377
1968 32.50500 212.61685 261.00000 0.00383
1969 32.52000 206.29041 258.00000 0.00388
1970 32.53500 200.33141 247.00000 0.00405
1971 32.55000 194.98547 241.00000 0.00415
1972 32.56500 190.36990 230.00000 0.00435
1973 32.58000 186.51942 220.00000 0.00455
1974 32.59500 183.42087 210.00000 0.00476
1975 32.61000 181.03746 210.00000 0.00476
1976 32.62500 179.32445 206.00000 0.00485
1977 32.64000 178.23844 201.00000 0.00498
1978 32.65500 177.74269 198.00000 0.00505
1979 32.67000 177.81116 205.00000 0.00488
1980 32.68500 178.42938 198.00000 0.00505
1981 32.70000 179.59588 191.00000 0.00524
1982 32.71500 181.32357 183.00000 0.00546
1983 32.73000 183.63911 203.00000 0.00493
1984 32.74500 186.58267 191.00000 0.00524
1985 32.76000 190.20207 189.00000 0.00529
1986 32.77500 194.54154 195.00000 0.00513
1987 32.79000 199.62622 196.00000 0.00510
1988 32.80500 205.44537 201.00000 0.00498
1989 32.82000 211.93533 195.00000 0.00513
1990 32.83500 218.96333 212.00000 0.00472
1991 32.85000 226.30938 222.00000 0.00450
1992 32.86500 233.64908 217.00000 0.00461
1993 32.88000 240.54710 219.00000 0.00457
1994 32.89500 246.47805 238.00000 0.00420
1995 32.91000 250.89380 224.00000 0.00446
1996 32.92500 253.33944 234.00000 0.00427
1997 32.94000 253.57979 242.00000 0.00413
1998 32.95500 251.66532 242.00000 0.00413
1999 32.97000 247.89184 238.00000 0.00420
2000 32.98500 242.68627 230.00000 0.00435
2001 33.00000 236.49336 240.00000 0.00417
2002 33.01500 229.70763 224.00000 0.00446
2003 33.03000 222.64850 219.00000 0.00457
2004 33.04500 215.55950 213.00000 0.00469
2005 33.06000 208.62965 203.00000 0.00493
2006 33.07500 202.01985 202.00000 0.00495
2007 33.09000 195.87384 197.00000 0.00508
2008 33.10500 190.30547 188.00000 0.00532
2009 33.12000 185.39025 174.00000 0.00575
2010 33.13500 181.15362 182.00000 0.00549
2011 33.15000 177.57872 173.00000 0.00578
2012 33.16500 174.61884 171.00000 0.00585
2013 33.18000 172.20991 171.00000 0.00585
2014 33.19500 170.27955 163.00000 0.00613
2015 33.21000 168.75257 155.00000 0.00645
2016 33.22500 167.55544 158.00000 0.00633
2017 33.24000 166.61834 168.00000 0.00595
2018 33.25500 165.88520 161.00000 0.00621
2019 33.27000 165.31782 168.00000 0.00595
2020 33.28500 164.90258 158.00000 0.00633
2021 33.30000 164.64995 166.00000 0.00602
2022 33.31500 164.58747 165.00000 0.00606
2023 33.33000 164.75030 168.00000 0.00595
2024 33.34500 165.17352 166.00000 0.00602
2025 33.36000 165.88976 166.00000 0.00602
2026 33.37500 166.92785 162.00000 0.00617
2027 33.39000 168.30626 167.00000 0.00599
2028 33.40500 170.03448 174.00000 0.00575
2029 33.42000 172.10096 179.00000 0.00559
2030 33.43500 174.45933 199.00000 0.00503
2031 33.45000 177.03746 210.00000 0.00476
2032 33.46500 179.71807 198.00000 0.00505
2033 33.48000 182.33610 214.00000 0.00467
2034 33.49500 184.67764 219.00000 0.00457
2035 33.51000 186.49270 219.00000 0.00457
2036 33.52500 187.53060 229.00000 0.00437
2037 33.54000 187.60324 214.00000 0.00467
2038 33.55500 186.65603 215.00000 0.00465
2039 33.57000 184.80566 210.00000 0.00476
2040 33.58500 182.31556 200.00000 0.00500
2041 33.60000 179.51685 194.00000 0.00515
2042 33.61500 176.72178 184.00000 0.00543
2043 33.63000 174.17038 181.00000 0.00552
2044 33.64500 172.02056 176.00000 0.00568
2045 33.66000 170.36308 173.00000 0.00578
2046 33.67500 169.24313 175.00000 0.00571
2047 33.69000 168.67960 165.00000 0.00606
2048 33.70500 168.67557 156.00000 0.00641
2049 33.72000 169.22712 157.00000 0.00637
2050 33.73500 170.32220 158.00000 0.00633
2051 33.75000 171.93912 160.00000 0.00625
2052 33.76500 174.04237 157.00000 0.00637
2053 33.78000 176.57728 158.00000 0.00633
2054 33.79500 179.46343 157.00000 0.00637
2055 33.81000 182.58727 158.00000 0.00633
2056 33.82500 185.79500 153.00000 0.00654
2057 33.84000 188.88975 155.00000 0.00645
2058 33.85500 191.64250 165.00000 0.00606
2059 33.87000 193.82549 160.00000 0.00625
2060 33.88500 195.26770 150.00000 0.00667
2061 33.90000 195.92125 162.00000 0.00617
2062 33.91500 195.89734 159.00000 0.00629
2063 33.93000 195.44352 154.00000 0.00649
2064 33.94500 194.86084 157.00000 0.00637
2065 33.96000 194.41217 155.00000 0.00645
2066 33.97500 194.25976 154.00000 0.00649
2067 33.99000 194.44335 149.00000 0.00671
2068 34.00500 194.88525 154.00000 0.00649
2069 34.02000 195.40921 152.00000 0.00658
2070 34.03500 195.76908 155.00000 0.00645
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