#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:01:31 +0100 (vie 25 de mar de 2016) $
#$Revision: 179910 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/06/7020649.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_7020649
loop_
_publ_author_name
'Martineau, Charlotte'
'Loiseau, Thierry'
'Beitone, Lionel'
'Férey, Gérard'
'Bouchevreau, Boris'
'Taulelle, Francis'
_publ_section_title
;
 Single-crystal XRD and solid-state NMR structural resolution of a layered
 fluorinated gallium phosphate:
 RbGa3(PO4)(2)(HPO4)F4·C5N2H16·2H2O (MIL-145).
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              422
_journal_page_last               431
_journal_paper_doi               10.1039/c2dt31464a
_journal_volume                  42
_journal_year                    2013
_chemical_absolute_configuration 'Flack H D (1983), Acta Cryst. A39, 876-881'
_chemical_formula_sum            'C20 H84 F16 Ga12 N8 O56 P12 Rb4'
_chemical_formula_weight         3187.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           3
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2y'
_symmetry_space_group_name_H-M   'P 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.7080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   14.4314(2)
_cell_length_b                   9.1152(2)
_cell_length_c                   16.78890(10)
_cell_measurement_reflns_used    5396
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.51
_cell_measurement_theta_min      1.92
_cell_volume                     2037.30(6)
_computing_cell_refinement       'Bruker SMART/SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART/SAINT'
_computing_molecular_graphics    'Diamond 2.1e'
_computing_publication_material  'Diamond 2.1e'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.913
_diffrn_measured_fraction_theta_max 0.913
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0464
_diffrn_reflns_av_sigmaI/netI    0.1090
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14513
_diffrn_reflns_theta_full        29.85
_diffrn_reflns_theta_max         29.85
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    6.656
_exptl_absorpt_correction_T_max  0.7766
_exptl_absorpt_correction_T_min  0.6180
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'empirical (SADABS)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.598
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.01
_refine_diff_density_max         4.245
_refine_diff_density_min         -1.866
_refine_diff_density_rms         0.289
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.009(14)
_refine_ls_extinction_coef       0.00064(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     555
_refine_ls_number_reflns         9705
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.934
_refine_ls_R_factor_all          0.1107
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0723P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1370
_refine_ls_wR_factor_ref         0.1583
_reflns_number_gt                5721
_reflns_number_total             9705
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31464a.txt
_cod_data_source_block           lb1243_p2
_cod_original_cell_volume        2037.30(5)
_cod_original_sg_symbol_H-M      P2
_cod_database_code               7020649
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Rb1 Rb 0.74882(10) 1.10387(19) 0.98734(9) 0.0345(4) Uani 1 1 d .
Rb2 Rb 1.23869(10) 0.60234(19) 0.98595(9) 0.0341(4) Uani 1 1 d .
Ga1 Ga 0.77431(9) 0.38970(14) 0.81175(9) 0.0086(4) Uani 1 1 d .
Ga2 Ga 0.55942(9) 0.37084(14) 0.81376(9) 0.0098(4) Uani 1 1 d .
Ga3 Ga 0.27318(9) -0.12890(15) 0.81281(9) 0.0104(4) Uani 1 1 d .
Ga4 Ga 1.05748(9) 0.89006(14) 0.81198(9) 0.0094(4) Uani 1 1 d .
Ga5 Ga 1.0000 0.3928(2) 1.0000 0.0105(6) Uani 1 2 d S
Ga6 Ga 1.0000 0.8923(2) 1.0000 0.0102(6) Uani 1 2 d S
Ga7 Ga 0.5000 0.3663(2) 1.0000 0.0106(6) Uani 1 2 d S
Ga8 Ga 0.5000 -0.1324(2) 1.0000 0.0094(6) Uani 1 2 d S
P1 P 0.9450(2) 0.1451(4) 0.86626(19) 0.0092(8) Uani 1 1 d .
P2 P 0.9356(2) 0.6452(4) 0.8661(2) 0.0094(8) Uani 1 1 d .
P3 P 0.4439(2) 0.1151(4) 0.86555(19) 0.0100(8) Uani 1 1 d .
P4 P 0.4351(2) 0.6161(4) 0.86612(19) 0.0105(8) Uani 1 1 d .
P5 P 0.5850(2) 0.3807(4) 0.6360(2) 0.0132(10) Uani 1 1 d .
P6 P 0.0870(2) -0.1207(4) 0.6356(2) 0.0103(9) Uani 1 1 d .
F1 F 0.8501(4) 0.3898(8) 0.9376(4) 0.0119(16) Uiso 1 1 d .
F2 F 0.3510(4) -0.1315(8) 0.9385(4) 0.0130(16) Uiso 1 1 d .
F3 F 1.0933(5) 0.8898(8) 0.9370(4) 0.0118(18) Uani 1 1 d .
F4 F 0.5951(4) 0.3677(9) 0.9394(4) 0.0141(19) Uani 1 1 d .
F5 F 0.6715(5) 0.5111(8) 0.8344(4) 0.0100(15) Uiso 1 1 d .
F6 F 1.1694(5) 0.7480(8) 0.8302(5) 0.0164(18) Uani 1 1 d .
F7 F 1.1803(5) 1.0113(8) 0.8343(5) 0.0173(18) Uani 1 1 d .
F8 F 0.6797(5) 0.2492(8) 0.8313(4) 0.0128(17) Uani 1 1 d .
O1 O 0.4740(6) 0.5334(10) 0.8050(5) 0.012(2) Uani 1 1 d .
O2 O 0.3512(6) 0.0330(10) 0.8039(5) 0.0109(19) Uani 1 1 d .
O3 O 0.8427(6) 0.5620(9) 0.8053(5) 0.014(2) Uani 1 1 d .
O4 O 0.9119(6) 1.0370(10) 0.9203(5) 0.013(2) Uani 1 1 d .
O5 O 0.9835(6) 1.0609(10) 0.8058(5) 0.016(2) Uani 1 1 d .
O6 O 0.4151(6) 0.2209(10) 0.9213(5) 0.014(2) Uani 1 1 d .
O7 O 0.3414(6) -0.3021(10) 0.8044(5) 0.013(2) Uani 1 1 d .
O8 O 0.8511(6) 0.2285(11) 0.8035(6) 0.016(2) Uani 1 1 d .
O9 O 0.4842(6) 0.1958(10) 0.8061(5) 0.013(2) Uani 1 1 d .
O10 O 0.5154(6) -0.2766(10) 0.9215(5) 0.0121(19) Uiso 1 1 d .
O11 O 1.0174(6) 0.5378(11) 0.9217(6) 0.017(2) Uani 1 1 d .
O12 O 0.9078(6) 0.7509(10) 0.9237(5) 0.014(2) Uani 1 1 d .
O13 O 0.1994(5) -0.1242(10) 0.6914(5) 0.014(2) Uani 1 1 d .
O14 O 0.6977(5) 0.3851(10) 0.6922(6) 0.016(2) Uani 1 1 d .
O15 O 0.4081(6) 0.5076(10) 0.9239(5) 0.015(2) Uani 1 1 d .
O16 O 0.9729(6) 0.7287(10) 0.8045(5) 0.015(2) Uani 1 1 d .
O17 O 1.0262(5) 0.8862(11) 0.6920(6) 0.019(3) Uani 1 1 d .
O18 O 1.0242(6) 0.2517(10) 0.9225(6) 0.018(2) Uani 1 1 d .
O19 O 0.5244(5) 0.3766(10) 0.6933(5) 0.015(2) Uani 1 1 d .
O20 O 0.5225(6) 0.0077(10) 0.9237(5) 0.0110(19) Uiso 1 1 d .
O21 O 0.0674(6) 0.0161(10) 0.5781(5) 0.016(2) Uani 1 1 d .
O22 O 0.5542(7) 0.5205(12) 0.5800(6) 0.026(3) Uani 1 1 d .
O1H O 0.5610(7) 0.2423(11) 0.5779(6) 0.021(2) Uani 1 1 d .
O2H O 0.0599(7) -0.2600(9) 0.5782(5) 0.017(2) Uani 1 1 d .
O1W O 0.1975(7) -0.4819(11) 0.6717(7) 0.045(3) Uani 1 1 d .
O2W O 0.5239(7) 0.0184(10) 0.6813(7) 0.038(2) Uani 1 1 d .
O3W O 0.2153(7) 0.3245(13) 0.8454(9) 0.065(4) Uani 1 1 d .
O4W O 0.6481(7) -0.1810(12) 0.8510(7) 0.048(3) Uani 1 1 d .
N1 N 0.4645(8) 0.7118(12) 0.6614(6) 0.027(2) Uani 1 1 d .
H1A H 0.4673 0.6699 0.7102 0.040 Uiso 1 1 calc R
H1B H 0.4939 0.7994 0.6731 0.040 Uiso 1 1 calc R
H1C H 0.4963 0.6555 0.6367 0.040 Uiso 1 1 calc R
C1 C 0.3580(10) 0.7293(17) 0.6018(9) 0.036(4) Uani 1 1 d .
H1D H 0.3230 0.7879 0.6296 0.043 Uiso 1 1 calc R
H1E H 0.3261 0.6337 0.5892 0.043 Uiso 1 1 calc R
C2 C 0.3494(9) 0.8021(16) 0.5187(8) 0.031(3) Uani 1 1 d .
H2A H 0.3844 0.7430 0.4911 0.037 Uiso 1 1 calc R
H2B H 0.3821 0.8971 0.5317 0.037 Uiso 1 1 calc R
C3 C 0.7581(11) 0.823(3) 0.5433(11) 0.069(6) Uani 1 1 d .
H3A H 0.7958 0.8630 0.5115 0.083 Uiso 1 1 calc R
H3B H 0.7861 0.7269 0.5644 0.083 Uiso 1 1 calc R
C4 C 0.7744(11) 0.922(2) 0.6215(10) 0.057(5) Uani 1 1 d .
H4A H 0.8457 0.9371 0.6536 0.068 Uiso 1 1 calc R
H4B H 0.7435 1.0170 0.6019 0.068 Uiso 1 1 calc R
C5 C 0.7301(11) -0.145(2) 0.6774(10) 0.056(5) Uani 1 1 d .
H5A H 0.7589 -0.2423 0.6942 0.067 Uiso 1 1 calc R
H5B H 0.6585 -0.1572 0.6453 0.067 Uiso 1 1 calc R
N2 N 0.7466(8) -0.0590(16) 0.7553(8) 0.047(4) Uani 1 1 d .
H2C H 0.7188 -0.1046 0.7874 0.070 Uiso 1 1 calc R
H2D H 0.7188 0.0291 0.7403 0.070 Uiso 1 1 calc R
H2E H 0.8123 -0.0489 0.7854 0.070 Uiso 1 1 calc R
N1A N 0.2360(8) 0.2079(13) 0.6514(8) 0.038(3) Uani 1 1 d .
H1A1 H 0.2661 0.1471 0.6953 0.057 Uiso 1 1 calc R
H1A2 H 0.1733 0.1779 0.6222 0.057 Uiso 1 1 calc R
H1A3 H 0.2352 0.2980 0.6716 0.057 Uiso 1 1 calc R
C1A C 0.2918(10) 0.2091(19) 0.5935(10) 0.043(4) Uani 1 1 d .
H1A4 H 0.2949 0.1099 0.5738 0.052 Uiso 1 1 calc R
H1A5 H 0.3600 0.2417 0.6259 0.052 Uiso 1 1 calc R
C2A C 0.2447(14) -0.693(2) 0.5164(12) 0.066(6) Uani 1 1 d .
H2A1 H 0.2503 -0.5921 0.5361 0.079 Uiso 1 1 calc R
H2A2 H 0.2826 -0.7017 0.4799 0.079 Uiso 1 1 calc R
C3A C 0.1419(13) 0.277(2) 0.4655(13) 0.068(6) Uani 1 1 d .
H3A1 H 0.1011 0.2904 0.4994 0.082 Uiso 1 1 calc R
H3A2 H 0.1337 0.1772 0.4440 0.082 Uiso 1 1 calc R
C4A C 0.1094(15) 0.394(4) 0.3856(16) 0.125(13) Uani 1 1 d .
H4A1 H 0.1091 0.4935 0.4065 0.150 Uiso 1 1 calc R
H4A2 H 0.1559 0.3900 0.3565 0.150 Uiso 1 1 calc R
C5A C 0.9882(16) 0.353(3) 0.6713(14) 0.086(7) Uani 1 1 d .
H5A1 H 1.0320 0.3533 0.6396 0.103 Uiso 1 1 calc R
H5A2 H 0.9856 0.2532 0.6905 0.103 Uiso 1 1 calc R
N2A N 1.0342(10) 0.4514(18) 0.7507(10) 0.072(5) Uani 1 1 d .
H2A3 H 1.0950 0.4182 0.7835 0.108 Uiso 1 1 calc R
H2A4 H 0.9953 0.4507 0.7808 0.108 Uiso 1 1 calc R
H2A5 H 1.0392 0.5426 0.7339 0.108 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 0.0033 0.0016 '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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
H H 0.0000 0.0000 '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
F8 Rb1 F7 168.0(3) 1_565 2_757
F8 Rb1 F3 132.53(19) 1_565 2_757
F7 Rb1 F3 56.28(19) 2_757 2_757
F8 Rb1 O4 78.0(2) 1_565 .
F7 Rb1 O4 108.1(2) 2_757 .
F3 Rb1 O4 55.7(2) 2_757 .
F8 Rb1 F2 131.35(19) 1_565 2_667
F7 Rb1 F2 54.23(19) 2_757 2_667
F3 Rb1 F2 76.48(17) 2_757 2_667
O4 Rb1 F2 123.8(2) . 2_667
F8 Rb1 O20 82.2(2) 1_565 1_565
F7 Rb1 O20 100.2(2) 2_757 1_565
F3 Rb1 O20 120.0(2) 2_757 1_565
O4 Rb1 O20 132.1(2) . 1_565
F2 Rb1 O20 50.28(19) 2_667 1_565
F8 Rb1 F4 55.31(18) 1_565 1_565
F7 Rb1 F4 114.77(19) 2_757 1_565
F3 Rb1 F4 169.0(2) 2_757 1_565
O4 Rb1 F4 128.8(2) . 1_565
F2 Rb1 F4 103.87(17) 2_667 1_565
O20 Rb1 F4 65.8(2) 1_565 1_565
F8 Rb1 F1 53.42(18) 1_565 1_565
F7 Rb1 F1 119.06(19) 2_757 1_565
F3 Rb1 F1 107.30(17) 2_757 1_565
O4 Rb1 F1 64.9(2) . 1_565
F2 Rb1 F1 169.3(2) 2_667 1_565
O20 Rb1 F1 130.33(19) 1_565 1_565
F4 Rb1 F1 70.44(16) 1_565 1_565
F8 Rb1 O18 99.8(2) 1_565 2_767
F7 Rb1 O18 75.8(2) 2_757 2_767
F3 Rb1 O18 66.6(2) 2_757 2_767
O4 Rb1 O18 58.7(2) . 2_767
F2 Rb1 O18 128.9(2) 2_667 2_767
O20 Rb1 O18 169.0(3) 1_565 2_767
F4 Rb1 O18 106.3(2) 1_565 2_767
F1 Rb1 O18 47.86(19) 1_565 2_767
F8 Rb1 O3W 113.1(3) 1_565 2_667
F7 Rb1 O3W 54.9(3) 2_757 2_667
F3 Rb1 O3W 101.4(2) 2_757 2_667
O4 Rb1 O3W 122.9(2) . 2_667
F2 Rb1 O3W 91.4(3) 2_667 2_667
O20 Rb1 O3W 105.0(2) 1_565 2_667
F4 Rb1 O3W 67.7(2) 1_565 2_667
F1 Rb1 O3W 78.1(2) 1_565 2_667
O18 Rb1 O3W 64.2(2) 2_767 2_667
F8 Rb1 O4W 79.8(2) 1_565 1_565
F7 Rb1 O4W 111.3(2) 2_757 1_565
F3 Rb1 O4W 80.8(2) 2_757 1_565
O4 Rb1 O4W 77.8(2) . 1_565
F2 Rb1 O4W 66.2(2) 2_667 1_565
O20 Rb1 O4W 55.9(2) 1_565 1_565
F4 Rb1 O4W 109.5(2) 1_565 1_565
F1 Rb1 O4W 123.9(2) 1_565 1_565
O18 Rb1 O4W 135.1(2) 2_767 1_565
O3W Rb1 O4W 156.6(3) 2_667 1_565
F8 Rb1 O6 102.4(2) 1_565 2_667
F7 Rb1 O6 70.1(2) 2_757 2_667
F3 Rb1 O6 124.9(2) 2_757 2_667
O4 Rb1 O6 171.9(3) . 2_667
F2 Rb1 O6 62.0(2) 2_667 2_667
O20 Rb1 O6 55.7(2) 1_565 2_667
F4 Rb1 O6 48.90(19) 1_565 2_667
F1 Rb1 O6 108.6(2) 1_565 2_667
O18 Rb1 O6 113.4(2) 2_767 2_667
O3W Rb1 O6 49.3(2) 2_667 2_667
O4W Rb1 O6 110.3(2) 1_565 2_667
F6 Rb2 F1 133.3(2) . 2_757
F6 Rb2 F5 167.5(3) . 2_757
F1 Rb2 F5 56.12(18) 2_757 2_757
F6 Rb2 O11 78.9(2) . .
F1 Rb2 O11 55.6(2) 2_757 .
F5 Rb2 O11 107.6(2) 2_757 .
F6 Rb2 F4 131.16(19) . 2_757
F1 Rb2 F4 76.32(17) 2_757 2_757
F5 Rb2 F4 54.32(18) 2_757 2_757
O11 Rb2 F4 124.0(2) . 2_757
F6 Rb2 O15 82.0(2) . 1_655
F1 Rb2 O15 120.1(2) 2_757 1_655
F5 Rb2 O15 100.0(2) 2_757 1_655
O11 Rb2 O15 133.2(3) . 1_655
F4 Rb2 O15 50.3(2) 2_757 1_655
F6 Rb2 F2 55.12(19) . 1_665
F1 Rb2 F2 168.4(2) 2_757 1_665
F5 Rb2 F2 114.30(18) 2_757 1_665
O11 Rb2 F2 129.2(2) . 1_665
F4 Rb2 F2 103.78(18) 2_757 1_665
O15 Rb2 F2 65.7(2) 1_655 1_665
F6 Rb2 O4W 112.7(3) . 2_767
F1 Rb2 O4W 101.4(2) 2_757 2_767
F5 Rb2 O4W 54.8(2) 2_757 2_767
O11 Rb2 O4W 122.6(2) . 2_767
F4 Rb2 O4W 91.1(2) 2_757 2_767
O15 Rb2 O4W 104.1(2) 1_655 2_767
F2 Rb2 O4W 67.0(2) 1_665 2_767
F6 Rb2 F3 53.86(18) . .
F1 Rb2 F3 107.41(17) 2_757 .
F5 Rb2 F3 118.53(18) 2_757 .
O11 Rb2 F3 64.9(2) . .
F4 Rb2 F3 168.8(2) 2_757 .
O15 Rb2 F3 130.4(2) 1_655 .
F2 Rb2 F3 70.40(16) 1_665 .
O4W Rb2 F3 77.9(2) 2_767 .
F6 Rb2 O12 100.1(2) . 2_757
F1 Rb2 O12 66.5(2) 2_757 2_757
F5 Rb2 O12 75.56(19) 2_757 2_757
O11 Rb2 O12 58.0(2) . 2_757
F4 Rb2 O12 128.7(2) 2_757 2_757
O15 Rb2 O12 168.6(3) 1_655 2_757
F2 Rb2 O12 106.2(2) 1_665 2_757
O4W Rb2 O12 64.6(2) 2_767 2_757
F3 Rb2 O12 47.73(18) . 2_757
F6 Rb2 O3W 78.3(3) . 1_655
F1 Rb2 O3W 82.3(2) 2_757 1_655
F5 Rb2 O3W 113.2(3) 2_757 1_655
O11 Rb2 O3W 78.3(2) . 1_655
F4 Rb2 O3W 67.6(2) 2_757 1_655
O15 Rb2 O3W 56.1(2) 1_655 1_655
F2 Rb2 O3W 108.6(2) 1_665 1_655
O4W Rb2 O3W 157.1(2) 2_767 1_655
F3 Rb2 O3W 123.0(2) . 1_655
O12 Rb2 O3W 135.3(2) 2_757 1_655
F6 Rb2 O10 101.9(2) . 2_767
F1 Rb2 O10 124.7(2) 2_757 2_767
F5 Rb2 O10 69.89(19) 2_757 2_767
O11 Rb2 O10 170.6(3) . 2_767
F4 Rb2 O10 62.5(2) 2_757 2_767
O15 Rb2 O10 55.9(2) 1_655 2_767
F2 Rb2 O10 48.44(18) 1_665 2_767
O4W Rb2 O10 48.3(2) 2_767 2_767
F3 Rb2 O10 107.82(19) . 2_767
O12 Rb2 O10 112.8(2) 2_757 2_767
O3W Rb2 O10 111.1(2) 1_655 2_767
O8 Ga1 O3 108.2(4) . .
O8 Ga1 O14 91.4(4) . .
O3 Ga1 O14 93.6(4) . .
O8 Ga1 F1 88.9(3) . .
O3 Ga1 F1 88.6(3) . .
O14 Ga1 F1 177.6(3) . .
O8 Ga1 F8 88.3(3) . .
O3 Ga1 F8 163.0(3) . .
O14 Ga1 F8 90.2(3) . .
F1 Ga1 F8 87.5(3) . .
O8 Ga1 F5 161.6(3) . .
O3 Ga1 F5 89.6(3) . .
O14 Ga1 F5 92.4(3) . .
F1 Ga1 F5 86.6(3) . .
F8 Ga1 F5 73.6(3) . .
O8 Ga1 Rb2 131.9(3) . 2_757
O3 Ga1 Rb2 80.9(3) . 2_757
O14 Ga1 Rb2 136.1(2) . 2_757
F1 Ga1 Rb2 43.37(19) . 2_757
F8 Ga1 Rb2 84.9(2) . 2_757
F5 Ga1 Rb2 44.39(19) . 2_757
O8 Ga1 Rb1 76.8(3) . 1_545
O3 Ga1 Rb1 140.8(3) . 1_545
O14 Ga1 Rb1 125.5(3) . 1_545
F1 Ga1 Rb1 52.3(2) . 1_545
F8 Ga1 Rb1 37.5(2) . 1_545
F5 Ga1 Rb1 86.28(19) . 1_545
Rb2 Ga1 Rb1 69.21(4) 2_757 1_545
O19 Ga2 O1 89.9(3) . .
O19 Ga2 O9 92.3(4) . .
O1 Ga2 O9 108.2(3) . .
O19 Ga2 F4 179.2(4) . .
O1 Ga2 F4 89.3(3) . .
O9 Ga2 F4 88.1(3) . .
O19 Ga2 F5 91.9(3) . .
O1 Ga2 F5 88.4(3) . .
O9 Ga2 F5 162.9(3) . .
F4 Ga2 F5 87.9(3) . .
O19 Ga2 F8 91.8(3) . .
O1 Ga2 F8 162.5(3) . .
O9 Ga2 F8 89.1(3) . .
F4 Ga2 F8 88.9(3) . .
F5 Ga2 F8 74.1(3) . .
O19 Ga2 Rb1 128.9(2) . 1_545
O1 Ga2 Rb1 141.2(2) . 1_545
O9 Ga2 Rb1 75.5(3) . 1_545
F4 Ga2 Rb1 51.9(2) . 1_545
F5 Ga2 Rb1 89.0(2) . 1_545
F8 Ga2 Rb1 39.9(2) . 1_545
O19 Ga2 Rb2 132.7(3) . 2_757
O1 Ga2 Rb2 84.0(3) . 2_757
O9 Ga2 Rb2 134.0(3) . 2_757
F4 Ga2 Rb2 46.9(2) . 2_757
F5 Ga2 Rb2 41.32(19) . 2_757
F8 Ga2 Rb2 82.0(2) . 2_757
Rb1 Ga2 Rb2 69.02(4) 1_545 2_757
O7 Ga3 O2 107.5(3) . .
O7 Ga3 O13 91.8(4) . .
O2 Ga3 O13 90.1(4) . .
O7 Ga3 F2 88.4(3) . .
O2 Ga3 F2 89.1(3) . .
O13 Ga3 F2 179.2(3) . .
O7 Ga3 F6 89.0(3) . 1_445
O2 Ga3 F6 163.3(3) . 1_445
O13 Ga3 F6 91.6(3) . 1_445
F2 Ga3 F6 89.2(3) . 1_445
O7 Ga3 F7 163.3(3) . 1_445
O2 Ga3 F7 88.6(3) . 1_445
O13 Ga3 F7 92.4(3) . 1_445
F2 Ga3 F7 87.6(3) . 1_445
F6 Ga3 F7 74.7(3) 1_445 1_445
O7 Ga3 Rb2 75.9(2) . 1_445
O2 Ga3 Rb2 141.5(3) . 1_445
O13 Ga3 Rb2 128.4(3) . 1_445
F2 Ga3 Rb2 52.4(2) . 1_445
F6 Ga3 Rb2 39.5(2) 1_445 1_445
F7 Ga3 Rb2 88.9(2) 1_445 1_445
O7 Ga3 Rb1 134.5(3) . 2_647
O2 Ga3 Rb1 84.1(2) . 2_647
O13 Ga3 Rb1 132.8(3) . 2_647
F2 Ga3 Rb1 47.1(2) . 2_647
F6 Ga3 Rb1 82.5(2) 1_445 2_647
F7 Ga3 Rb1 40.9(2) 1_445 2_647
Rb2 Ga3 Rb1 69.40(4) 1_445 2_647
O5 Ga4 O16 107.8(4) . .
O5 Ga4 O17 93.5(4) . .
O16 Ga4 O17 91.8(4) . .
O5 Ga4 F3 88.2(3) . .
O16 Ga4 F3 88.1(3) . .
O17 Ga4 F3 178.2(3) . .
O5 Ga4 F7 89.7(3) . .
O16 Ga4 F7 161.7(4) . .
O17 Ga4 F7 92.3(3) . .
F3 Ga4 F7 87.2(3) . .
O5 Ga4 F6 163.5(3) . .
O16 Ga4 F6 88.2(3) . .
O17 Ga4 F6 89.8(3) . .
F3 Ga4 F6 88.4(3) . .
F7 Ga4 F6 74.0(3) . .
O5 Ga4 Rb1 80.7(3) . 2_757
O16 Ga4 Rb1 131.9(3) . 2_757
O17 Ga4 Rb1 135.8(3) . 2_757
F3 Ga4 Rb1 44.1(2) . 2_757
F7 Ga4 Rb1 44.3(2) . 2_757
F6 Ga4 Rb1 85.7(2) . 2_757
O5 Ga4 Rb2 141.0(3) . .
O16 Ga4 Rb2 76.3(3) . .
O17 Ga4 Rb2 125.5(3) . .
F3 Ga4 Rb2 52.8(2) . .
F7 Ga4 Rb2 86.8(2) . .
F6 Ga4 Rb2 37.9(2) . .
Rb1 Ga4 Rb2 69.97(4) 2_757 .
O11 Ga5 O11 94.5(6) . 2_757
O11 Ga5 O18 84.0(4) . .
O11 Ga5 O18 177.1(4) 2_757 .
O11 Ga5 O18 177.1(4) . 2_757
O11 Ga5 O18 84.0(4) 2_757 2_757
O18 Ga5 O18 97.6(6) . 2_757
O11 Ga5 F1 92.9(3) . .
O11 Ga5 F1 88.2(3) 2_757 .
O18 Ga5 F1 94.4(3) . .
O18 Ga5 F1 84.6(3) 2_757 .
O11 Ga5 F1 88.2(3) . 2_757
O11 Ga5 F1 92.9(3) 2_757 2_757
O18 Ga5 F1 84.6(3) . 2_757
O18 Ga5 F1 94.4(3) 2_757 2_757
F1 Ga5 F1 178.4(4) . 2_757
O11 Ga5 Rb2 45.8(2) . .
O11 Ga5 Rb2 93.1(3) 2_757 .
O18 Ga5 Rb2 84.1(2) . .
O18 Ga5 Rb2 136.7(3) 2_757 .
F1 Ga5 Rb2 138.6(2) . .
F1 Ga5 Rb2 42.5(2) 2_757 .
O11 Ga5 Rb2 93.1(3) . 2_757
O11 Ga5 Rb2 45.8(2) 2_757 2_757
O18 Ga5 Rb2 136.7(3) . 2_757
O18 Ga5 Rb2 84.1(2) 2_757 2_757
F1 Ga5 Rb2 42.5(2) . 2_757
F1 Ga5 Rb2 138.6(2) 2_757 2_757
Rb2 Ga5 Rb2 123.34(8) . 2_757
O12 Ga6 O12 96.6(5) . 2_757
O12 Ga6 O4 177.1(3) . 2_757
O12 Ga6 O4 84.1(4) 2_757 2_757
O12 Ga6 O4 84.1(4) . .
O12 Ga6 O4 177.1(3) 2_757 .
O4 Ga6 O4 95.3(5) 2_757 .
O12 Ga6 F3 85.0(3) . 2_757
O12 Ga6 F3 94.2(3) 2_757 2_757
O4 Ga6 F3 92.2(3) 2_757 2_757
O4 Ga6 F3 88.7(3) . 2_757
O12 Ga6 F3 94.2(3) . .
O12 Ga6 F3 85.0(3) 2_757 .
O4 Ga6 F3 88.7(3) 2_757 .
O4 Ga6 F3 92.2(3) . .
F3 Ga6 F3 178.7(4) 2_757 .
O12 Ga6 Rb1 136.5(2) . 2_757
O12 Ga6 Rb1 84.8(2) 2_757 2_757
O4 Ga6 Rb1 46.3(2) 2_757 2_757
O4 Ga6 Rb1 92.7(2) . 2_757
F3 Ga6 Rb1 138.4(2) 2_757 2_757
F3 Ga6 Rb1 42.5(2) . 2_757
O12 Ga6 Rb1 84.8(2) . .
O12 Ga6 Rb1 136.5(2) 2_757 .
O4 Ga6 Rb1 92.7(2) 2_757 .
O4 Ga6 Rb1 46.3(2) . .
F3 Ga6 Rb1 42.5(2) 2_757 .
F3 Ga6 Rb1 138.4(2) . .
Rb1 Ga6 Rb1 122.95(8) 2_757 .
O15 Ga7 O15 96.5(6) 2_657 .
O15 Ga7 O6 176.2(4) 2_657 .
O15 Ga7 O6 85.0(4) . .
O15 Ga7 O6 85.0(4) 2_657 2_657
O15 Ga7 O6 176.2(4) . 2_657
O6 Ga7 O6 93.7(5) . 2_657
O15 Ga7 F4 84.4(3) 2_657 .
O15 Ga7 F4 95.1(3) . .
O6 Ga7 F4 92.0(3) . .
O6 Ga7 F4 88.5(3) 2_657 .
O15 Ga7 F4 95.1(3) 2_657 2_657
O15 Ga7 F4 84.4(3) . 2_657
O6 Ga7 F4 88.5(3) . 2_657
O6 Ga7 F4 92.0(3) 2_657 2_657
F4 Ga7 F4 179.3(5) . 2_657
O20 Ga8 O20 96.8(5) 2_657 .
O20 Ga8 O10 177.0(4) 2_657 .
O20 Ga8 O10 84.5(3) . .
O20 Ga8 O10 84.5(3) 2_657 2_657
O20 Ga8 O10 177.0(4) . 2_657
O10 Ga8 O10 94.3(5) . 2_657
O20 Ga8 F2 85.2(3) 2_657 .
O20 Ga8 F2 94.5(3) . .
O10 Ga8 F2 91.9(3) . .
O10 Ga8 F2 88.4(3) 2_657 .
O20 Ga8 F2 94.5(3) 2_657 2_657
O20 Ga8 F2 85.2(3) . 2_657
O10 Ga8 F2 88.4(3) . 2_657
O10 Ga8 F2 91.9(3) 2_657 2_657
F2 Ga8 F2 179.6(5) . 2_657
O18 P1 O4 111.9(5) . 1_545
O18 P1 O5 110.7(5) . 1_545
O4 P1 O5 110.1(5) 1_545 1_545
O18 P1 O8 110.9(6) . .
O4 P1 O8 109.0(5) 1_545 .
O5 P1 O8 103.9(5) 1_545 .
O12 P2 O3 110.9(5) . .
O12 P2 O16 111.1(6) . .
O3 P2 O16 103.8(5) . .
O12 P2 O11 110.2(5) . .
O3 P2 O11 110.9(5) . .
O16 P2 O11 109.7(5) . .
O12 P2 Rb2 104.1(3) . .
O3 P2 Rb2 141.1(4) . .
O16 P2 Rb2 78.0(3) . .
O11 P2 Rb2 38.1(3) . .
O6 P3 O9 111.4(5) . .
O6 P3 O20 109.1(5) . .
O9 P3 O20 110.5(5) . .
O6 P3 O2 110.6(5) . .
O9 P3 O2 104.3(5) . .
O20 P3 O2 110.9(5) . .
O6 P3 Rb1 102.0(4) . 1_545
O9 P3 Rb1 74.3(3) . 1_545
O20 P3 Rb1 43.4(3) . 1_545
O2 P3 Rb1 144.9(4) . 1_545
O10 P4 O15 110.2(5) 1_565 .
O10 P4 O7 111.2(5) 1_565 1_565
O15 P4 O7 111.4(5) . 1_565
O10 P4 O1 109.5(5) 1_565 .
O15 P4 O1 110.5(5) . .
O7 P4 O1 103.9(5) 1_565 .
O10 P4 Rb2 103.2(3) 1_565 1_455
O15 P4 Rb2 43.3(3) . 1_455
O7 P4 Rb2 75.5(3) 1_565 1_455
O1 P4 Rb2 144.8(4) . 1_455
O19 P5 O14 110.0(5) . .
O19 P5 O22 107.6(5) . .
O14 P5 O22 110.0(5) . .
O19 P5 O1H 109.4(5) . .
O14 P5 O1H 109.5(5) . .
O22 P5 O1H 110.3(6) . .
O17 P6 O13 110.5(5) 1_445 .
O17 P6 O21 110.3(5) 1_445 .
O13 P6 O21 107.3(5) . .
O17 P6 O2H 110.7(5) 1_445 .
O13 P6 O2H 108.5(5) . .
O21 P6 O2H 109.5(5) . .
Ga1 F1 Ga5 126.9(3) . .
Ga1 F1 Rb2 108.7(3) . 2_757
Ga5 F1 Rb2 109.4(3) . 2_757
Ga1 F1 Rb1 99.0(2) . 1_545
Ga5 F1 Rb1 112.2(3) . 1_545
Rb2 F1 Rb1 95.92(17) 2_757 1_545
Ga3 F2 Ga8 127.5(3) . .
Ga3 F2 Rb1 105.1(3) . 2_647
Ga8 F2 Rb1 111.7(3) . 2_647
Ga3 F2 Rb2 98.2(2) . 1_445
Ga8 F2 Rb2 114.7(3) . 1_445
Rb1 F2 Rb2 93.81(16) 2_647 1_445
Ga4 F3 Ga6 127.7(3) . .
Ga4 F3 Rb1 107.9(3) . 2_757
Ga6 F3 Rb1 109.6(3) . 2_757
Ga4 F3 Rb2 98.6(2) . .
Ga6 F3 Rb2 111.9(3) . .
Rb1 F3 Rb2 96.32(18) 2_757 .
Ga2 F4 Ga7 126.8(3) . .
Ga2 F4 Rb2 105.4(3) . 2_757
Ga7 F4 Rb2 112.0(3) . 2_757
Ga2 F4 Rb1 98.7(2) . 1_545
Ga7 F4 Rb1 114.7(3) . 1_545
Rb2 F4 Rb1 93.70(17) 2_757 1_545
Ga2 F5 Ga1 103.0(3) . .
Ga2 F5 Rb2 111.9(3) . 2_757
Ga1 F5 Rb2 106.8(3) . 2_757
Ga3 F6 Ga4 102.9(3) 1_665 .
Ga3 F6 Rb2 113.3(3) 1_665 .
Ga4 F6 Rb2 115.7(3) . .
Ga3 F7 Ga4 102.9(3) 1_665 .
Ga3 F7 Rb1 112.5(3) 1_665 2_757
Ga4 F7 Rb1 106.8(3) . 2_757
Ga2 F8 Ga1 103.5(3) . .
Ga2 F8 Rb1 112.6(3) . 1_545
Ga1 F8 Rb1 116.5(3) . 1_545
P4 O1 Ga2 136.3(5) . .
P3 O2 Ga3 135.8(5) . .
P2 O3 Ga1 135.8(5) . .
P1 O4 Ga6 124.6(5) 1_565 .
P1 O4 Rb1 123.5(4) 1_565 .
Ga6 O4 Rb1 105.9(3) . .
P1 O5 Ga4 136.4(5) 1_565 .
P3 O6 Ga7 127.3(5) . .
P3 O6 Rb1 118.6(5) . 2_647
Ga7 O6 Rb1 105.7(3) . 2_647
P4 O7 Ga3 134.4(6) 1_545 .
P1 O8 Ga1 135.8(6) . .
P3 O9 Ga2 135.3(6) . .
P4 O10 Ga8 126.2(5) 1_545 .
P4 O10 Rb2 118.3(4) 1_545 2_747
Ga8 O10 Rb2 106.2(3) . 2_747
P2 O11 Ga5 124.9(5) . .
P2 O11 Rb2 123.5(5) . .
Ga5 O11 Rb2 106.6(3) . .
P2 O12 Ga6 123.9(5) . .
P2 O12 Rb2 113.7(4) . 2_757
Ga6 O12 Rb2 111.3(3) . 2_757
P6 O13 Ga3 132.9(5) . .
P5 O14 Ga1 134.7(5) . .
P4 O15 Ga7 124.7(5) . .
P4 O15 Rb2 117.0(4) . 1_455
Ga7 O15 Rb2 112.9(3) . 1_455
P2 O16 Ga4 136.6(6) . .
P6 O17 Ga4 135.1(5) 1_665 .
P1 O18 Ga5 123.4(5) . .
P1 O18 Rb1 113.4(5) . 2_747
Ga5 O18 Rb1 111.2(4) . 2_747
P5 O19 Ga2 133.9(5) . .
P3 O20 Ga8 125.1(5) . .
P3 O20 Rb1 117.1(4) . 1_545
Ga8 O20 Rb1 112.3(3) . 1_545
Rb1 O3W Rb2 85.6(3) 2_647 1_455
Rb2 O4W Rb1 87.2(3) 2_747 1_545
N1 C1 C2 111.4(10) . .
C1 C2 C3 112.9(11) . 2_656
C2 C3 C4 116.1(13) 2_656 .
C5 C4 C3 109.9(16) 1_565 .
C4 C5 N2 112.7(16) 1_545 .
N1A C1A C2A 113.0(12) . 1_565
C3A C2A C1A 115.0(16) 1_545 1_545
C2A C3A C4A 105.6(17) 1_565 .
C5A C4A C3A 106(2) 2_656 .
C4A C5A N2A 115(2) 2_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rb1 F8 2.757(7) 1_565
Rb1 F7 2.892(7) 2_757
Rb1 F3 2.895(7) 2_757
Rb1 O4 3.037(8) .
Rb1 F2 3.101(7) 2_667
Rb1 O20 3.143(8) 1_565
Rb1 F4 3.158(7) 1_565
Rb1 F1 3.251(7) 1_565
Rb1 O18 3.318(9) 2_767
Rb1 O3W 3.328(13) 2_667
Rb1 O4W 3.394(12) 1_565
Rb1 O6 3.447(8) 2_667
Rb2 F6 2.753(7) .
Rb2 F1 2.883(7) 2_757
Rb2 F5 2.907(7) 2_757
Rb2 O11 3.008(8) .
Rb2 F4 3.095(7) 2_757
Rb2 O15 3.127(8) 1_655
Rb2 F2 3.185(7) 1_665
Rb2 O4W 3.257(12) 2_767
Rb2 F3 3.258(7) .
Rb2 O12 3.329(8) 2_757
Rb2 O3W 3.388(14) 1_655
Rb2 O10 3.460(8) 2_767
Ga1 O8 1.877(9) .
Ga1 O3 1.880(9) .
Ga1 O14 1.881(9) .
Ga1 F1 1.968(7) .
Ga1 F8 1.989(7) .
Ga1 F5 2.002(6) .
Ga1 Rb2 3.977(2) 2_757
Ga1 Rb1 4.056(2) 1_545
Ga2 O19 1.887(8) .
Ga2 O1 1.896(8) .
Ga2 O9 1.906(9) .
Ga2 F4 1.969(7) .
Ga2 F5 1.985(7) .
Ga2 F8 1.983(7) .
Ga2 Rb1 3.967(2) 1_545
Ga2 Rb2 4.085(2) 2_757
Ga3 O7 1.894(8) .
Ga3 O2 1.897(8) .
Ga3 O13 1.901(8) .
Ga3 F2 1.970(7) .
Ga3 F6 1.981(7) 1_445
Ga3 F7 1.983(7) 1_445
Ga3 Rb2 3.977(2) 1_445
Ga3 Rb1 4.084(2) 2_647
Ga4 O5 1.868(9) .
Ga4 O16 1.884(9) .
Ga4 O17 1.887(9) .
Ga4 F3 1.958(7) .
Ga4 F7 1.997(7) .
Ga4 F6 2.000(7) .
Ga4 Rb1 3.961(2) 2_757
Ga5 O11 1.947(9) .
Ga5 O11 1.947(9) 2_757
Ga5 O18 1.954(9) .
Ga5 O18 1.954(9) 2_757
Ga5 F1 2.007(6) .
Ga5 F1 2.007(6) 2_757
Ga5 Rb2 4.0242(16) 2_757
Ga6 O12 1.939(9) .
Ga6 O12 1.939(9) 2_757
Ga6 O4 1.958(9) 2_757
Ga6 O4 1.958(9) .
Ga6 F3 2.008(6) 2_757
Ga6 F3 2.008(6) .
Ga6 Rb1 4.0385(17) 2_757
Ga7 O15 1.934(9) 2_657
Ga7 O15 1.934(9) .
Ga7 O6 1.937(10) .
Ga7 O6 1.937(9) 2_657
Ga7 F4 1.999(6) .
Ga7 F4 1.999(6) 2_657
Ga8 O20 1.923(8) 2_657
Ga8 O20 1.923(8) .
Ga8 O10 1.933(9) .
Ga8 O10 1.933(9) 2_657
Ga8 F2 1.995(6) .
Ga8 F2 1.995(6) 2_657
P1 O18 1.520(9) .
P1 O4 1.535(9) 1_545
P1 O5 1.538(9) 1_545
P1 O8 1.557(9) .
P2 O12 1.524(9) .
P2 O3 1.536(9) .
P2 O16 1.540(8) .
P2 O11 1.540(9) .
P3 O6 1.511(9) .
P3 O9 1.525(8) .
P3 O20 1.531(9) .
P3 O2 1.534(9) .
P3 Rb1 4.075(3) 1_545
P4 O10 1.527(9) 1_565
P4 O15 1.536(9) .
P4 O7 1.541(8) 1_565
P4 O1 1.543(8) .
P4 Rb2 4.062(3) 1_455
P5 O19 1.530(8) .
P5 O14 1.534(8) .
P5 O22 1.544(10) .
P5 O1H 1.551(10) .
P6 O17 1.520(8) 1_445
P6 O13 1.528(8) .
P6 O21 1.535(9) .
P6 O2H 1.549(9) .
F1 Rb2 2.883(7) 2_757
F1 Rb1 3.251(7) 1_545
F2 Rb1 3.101(7) 2_647
F2 Rb2 3.185(7) 1_445
F3 Rb1 2.895(7) 2_757
F4 Rb2 3.095(7) 2_757
F4 Rb1 3.158(7) 1_545
F5 Rb2 2.907(7) 2_757
F6 Ga3 1.981(6) 1_665
F7 Ga3 1.983(7) 1_665
F7 Rb1 2.892(7) 2_757
F8 Rb1 2.757(7) 1_545
O4 P1 1.535(9) 1_565
O5 P1 1.538(9) 1_565
O6 Rb1 3.447(8) 2_647
O7 P4 1.541(8) 1_545
O10 P4 1.527(9) 1_545
O10 Rb2 3.460(8) 2_747
O12 Rb2 3.329(8) 2_757
O15 Rb2 3.127(8) 1_455
O17 P6 1.520(8) 1_665
O18 Rb1 3.318(9) 2_747
O20 Rb1 3.143(8) 1_545
O3W Rb1 3.328(13) 2_647
O3W Rb2 3.388(13) 1_455
O4W Rb2 3.257(11) 2_747
O4W Rb1 3.394(12) 1_545
N1 C1 1.484(16) .
C1 C2 1.506(18) .
C2 C3 1.509(19) 2_656
C3 C2 1.509(19) 2_656
C3 C4 1.54(2) .
C4 C5 1.46(2) 1_565
C5 C4 1.46(2) 1_545
C5 N2 1.465(19) .
N1A C1A 1.482(17) .
C1A C2A 1.50(2) 1_565
C2A C3A 1.42(2) 1_545
C2A C1A 1.50(2) 1_545
C3A C2A 1.42(2) 1_565
C3A C4A 1.64(3) .
C4A C5A 1.41(3) 2_656
C5A C4A 1.41(3) 2_656
C5A N2A 1.53(2) .
