# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 1999769'
loop_
_audit_author_name
_audit_author_address
'Wang Liu'
;Technical Institute of Physics and Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2020-04-29 deposited with the CCDC.	2020-06-25 downloaded from the CCDC.
;
_audit_creation_date             2020-04-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            Rb7SrGd2B15O30
_chemical_name_systematic        Rb7SrGd2(B5O10)3
_chemical_formula_moiety         '0.33(B45 Gd6 O90 Rb21 Sr3)'
_chemical_formula_sum            'B15 Gd2 O30 Rb7 Sr'
_chemical_formula_weight         1642.53
_chemical_absolute_configuration rmad
_chemical_melting_point          1176.15
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           155
_space_group_name_H-M_alt        'R 3 2'
_space_group_name_Hall           'R 3 2"'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'

_cell_length_a                   13.4975(5)
_cell_length_b                   13.4975(5)
_cell_length_c                   15.3223(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2417.5(2)
_cell_formula_units_Z            3.00006
_cell_measurement_reflns_used    3196
_cell_measurement_temperature    293.69(10)
_cell_measurement_theta_max      26.3450
_cell_measurement_theta_min      3.2140
_shelx_estimated_absorpt_T_max   0.292
_shelx_estimated_absorpt_T_min   0.292
_exptl_absorpt_coefficient_mu    16.328
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.385
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2220
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0187
_diffrn_reflns_av_unetI/netI     0.0161
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3563
_diffrn_reflns_point_group_measured_fraction_full 0.907
_diffrn_reflns_point_group_measured_fraction_max 0.902
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.361
_diffrn_reflns_theta_min         3.018
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      293.69(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -62.00   9.00   0.50   32.00    --    9.62 -10.00 121.00  142
  2  ω    -26.00   7.00   0.50   32.00    --   -8.52 -99.00  30.00   66
  3  ω     -6.00  43.00   0.50   32.00    --    9.62 -99.00 150.00   98
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0599418000
_diffrn_orient_matrix_UB_12      0.0248016000
_diffrn_orient_matrix_UB_13      -0.0055693000
_diffrn_orient_matrix_UB_21      -0.0064794000
_diffrn_orient_matrix_UB_22      -0.0553554000
_diffrn_orient_matrix_UB_23      -0.0030305000
_diffrn_orient_matrix_UB_31      -0.0068177000
_diffrn_orient_matrix_UB_32      0.0006241000
_diffrn_orient_matrix_UB_33      -0.0458806000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.598
_reflns_Friedel_fraction_full    0.787
_reflns_Friedel_fraction_max     0.777
_reflns_number_gt                1002
_reflns_number_total             1007
_reflns_odcompleteness_completeness 83.25
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.22
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al.,  2007)'
_refine_diff_density_max         2.614
_refine_diff_density_min         -1.426
_refine_diff_density_rms         0.187
_refine_ls_abs_structure_details 
;
 Flack x determined using 372 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.068(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     86
_refine_ls_number_reflns         1007
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0240
_refine_ls_restrained_S_all      1.150
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0312P)²+54.9674P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0682
_refine_ls_wR_factor_ref         0.0683
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.666667 0.333333 0.06281(5) 0.0130(2) Uani 1 3 d S T P . .
Rb1 Rb 0.666667 0.333333 0.333333 0.0221(5) Uani 1 6 d S T P . .
Rb2 Rb 0.48011(11) 0.000000 0.000000 0.0279(4) Uani 1 2 d S T P . .
Rb3 Rb 0.333333 0.12736(12) 0.166667 0.0218(3) Uani 1 2 d S T P . .
O1 O 0.7554(7) 0.2768(7) -0.0478(4) 0.0215(17) Uani 1 1 d . . . . .
O2 O 0.1014(7) -0.0634(7) 0.1931(4) 0.0235(18) Uani 1 1 d . . . . .
O3 O 0.4785(8) -0.0077(7) 0.2134(5) 0.036(3) Uani 1 1 d . . . . .
O5 O 0.6631(6) 0.1382(6) 0.2558(5) 0.0196(15) Uani 1 1 d . . . . .
O4 O 0.7690(7) 0.0637(7) 0.3280(5) 0.0227(16) Uani 1 1 d . . . . .
B3 B 0.7765(11) 0.1913(11) -0.0534(7) 0.017(3) Uani 1 1 d . . . . .
B2 B 0.666667 0.0758(12) 0.333333 0.017(3) Uani 1 2 d S T P . .
B1 B 0.0959(10) -0.1352(10) 0.1305(7) 0.018(3) Uani 1 1 d . . . . .
Sr1 Sr 0.666667 0.333333 -0.166667 0.0076(4) Uani 1 6 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd1 Rb1 4.1451(8) . ?
Gd1 Rb2 4.0224(2) 2_655 ?
Gd1 Rb2 4.0224(2) 3_665 ?
Gd1 Rb2 4.0224(2) . ?
Gd1 Rb3 4.2422(3) 2_655 ?
Gd1 O1 2.409(7) 3_665 ?
Gd1 O1 2.409(7) . ?
Gd1 O1 2.409(7) 2_655 ?
Gd1 O2 2.276(7) 12 ?
Gd1 O2 2.276(7) 11 ?
Gd1 O2 2.276(7) 10 ?
Gd1 Sr1 3.5161(8) . ?
Rb1 O5 2.867(8) 16_545 ?
Rb1 O5 2.867(8) 17 ?
Rb1 O5 2.867(8) 2_655 ?
Rb1 O5 2.867(8) 3_665 ?
Rb1 O5 2.867(8) 18_655 ?
Rb1 O5 2.867(7) . ?
Rb1 B1 3.372(11) 12 ?
Rb1 B1 3.372(11) 8 ?
Rb1 B1 3.372(11) 9 ?
Rb1 B1 3.372(11) 7 ?
Rb1 B1 3.372(11) 11 ?
Rb1 B1 3.372(11) 10 ?
Rb2 O1 3.147(8) 3_665 ?
Rb2 O1 3.147(8) 4_545 ?
Rb2 O2 2.915(7) 14_544 ?
Rb2 O2 2.915(7) 12 ?
Rb2 O3 3.270(8) . ?
Rb2 O3 3.270(8) 5 ?
Rb2 O4 2.942(8) 10_545 ?
Rb2 O4 2.942(8) 15_654 ?
Rb2 B3 3.607(13) . ?
Rb2 B2 3.541(17) 15_654 ?
Rb2 B1 3.372(11) 12 ?
Rb2 B1 3.372(11) 14_544 ?
Rb3 O2 2.921(8) 12 ?
Rb3 O2 2.921(8) . ?
Rb3 O3 3.354(10) 12 ?
Rb3 O3 3.354(10) . ?
Rb3 O5 2.849(8) 3_665 ?
Rb3 O5 2.849(8) 11_455 ?
Rb3 O4 3.011(8) 3_665 ?
Rb3 O4 3.011(8) 11_455 ?
Rb3 B2 3.529(2) 14_544 ?
Rb3 B2 3.529(2) 3_665 ?
Rb3 B1 3.432(12) 12 ?
Rb3 B1 3.432(12) . ?
O1 B3 1.322(13) . ?
O1 Sr1 2.500(7) . ?
O2 B1 1.340(13) . ?
O3 B3 1.411(12) 8_545 ?
O3 B1 1.389(14) 12 ?
O5 B2 1.471(12) . ?
O5 B1 1.357(13) 12 ?
O4 B3 1.377(14) 10_545 ?
O4 B2 1.472(12) . ?
B3 Sr1 3.424(11) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Rb1 Gd1 Rb3 67.967(9) . 2_655 ?
Rb2 Gd1 Rb1 103.842(10) 2_655 . ?
Rb2 Gd1 Rb1 103.842(10) . . ?
Rb2 Gd1 Rb1 103.842(10) 3_665 . ?
Rb2 Gd1 Rb2 114.465(8) 2_655 . ?
Rb2 Gd1 Rb2 114.465(8) . 3_665 ?
Rb2 Gd1 Rb2 114.465(8) 2_655 3_665 ?
Rb2 Gd1 Rb3 166.20(3) 3_665 2_655 ?
Rb2 Gd1 Rb3 78.88(3) . 2_655 ?
Rb2 Gd1 Rb3 59.41(3) 2_655 2_655 ?
O1 Gd1 Rb1 134.71(16) . . ?
O1 Gd1 Rb1 134.71(16) 2_655 . ?
O1 Gd1 Rb1 134.71(16) 3_665 . ?
O1 Gd1 Rb2 51.5(2) . 2_655 ?
O1 Gd1 Rb2 67.0(2) 3_665 3_665 ?
O1 Gd1 Rb2 67.0(2) . . ?
O1 Gd1 Rb2 120.57(16) 2_655 . ?
O1 Gd1 Rb2 67.0(2) 2_655 2_655 ?
O1 Gd1 Rb2 120.57(16) . 3_665 ?
O1 Gd1 Rb2 51.5(2) 3_665 . ?
O1 Gd1 Rb2 51.4(2) 2_655 3_665 ?
O1 Gd1 Rb2 120.57(16) 3_665 2_655 ?
O1 Gd1 Rb3 126.7(2) 3_665 2_655 ?
O1 Gd1 Rb3 126.1(2) 2_655 2_655 ?
O1 Gd1 Rb3 66.74(16) . 2_655 ?
O1 Gd1 O1 76.0(2) . 2_655 ?
O1 Gd1 O1 76.0(2) . 3_665 ?
O1 Gd1 O1 76.0(2) 3_665 2_655 ?
O1 Gd1 Sr1 45.29(16) 2_655 . ?
O1 Gd1 Sr1 45.29(16) 3_665 . ?
O1 Gd1 Sr1 45.29(16) . . ?
O2 Gd1 Rb1 58.61(17) 11 . ?
O2 Gd1 Rb1 58.61(17) 10 . ?
O2 Gd1 Rb1 58.61(17) 12 . ?
O2 Gd1 Rb2 45.36(17) 12 . ?
O2 Gd1 Rb2 125.7(2) 12 2_655 ?
O2 Gd1 Rb2 119.5(2) 12 3_665 ?
O2 Gd1 Rb2 119.5(2) 11 . ?
O2 Gd1 Rb2 119.5(2) 10 2_655 ?
O2 Gd1 Rb2 125.7(2) 10 . ?
O2 Gd1 Rb2 45.36(17) 10 3_665 ?
O2 Gd1 Rb2 45.36(17) 11 2_655 ?
O2 Gd1 Rb2 125.7(2) 11 3_665 ?
O2 Gd1 Rb3 40.7(2) 11 2_655 ?
O2 Gd1 Rb3 66.7(2) 12 2_655 ?
O2 Gd1 Rb3 124.59(18) 10 2_655 ?
O2 Gd1 O1 86.5(2) 10 2_655 ?
O2 Gd1 O1 162.3(3) 10 . ?
O2 Gd1 O1 86.5(2) 11 . ?
O2 Gd1 O1 102.0(3) 10 3_665 ?
O2 Gd1 O1 162.3(3) 12 2_655 ?
O2 Gd1 O1 102.0(3) 11 2_655 ?
O2 Gd1 O1 162.3(3) 11 3_665 ?
O2 Gd1 O1 102.0(3) 12 . ?
O2 Gd1 O1 86.5(3) 12 3_665 ?
O2 Gd1 O2 95.3(2) 12 10 ?
O2 Gd1 O2 95.3(2) 11 12 ?
O2 Gd1 O2 95.3(2) 11 10 ?
O2 Gd1 Sr1 121.39(17) 11 . ?
O2 Gd1 Sr1 121.39(17) 12 . ?
O2 Gd1 Sr1 121.39(17) 10 . ?
Sr1 Gd1 Rb1 180.0 . . ?
Sr1 Gd1 Rb2 76.158(10) . 2_655 ?
Sr1 Gd1 Rb2 76.158(10) . . ?
Sr1 Gd1 Rb2 76.158(10) . 3_665 ?
Sr1 Gd1 Rb3 112.033(9) . 2_655 ?
O5 Rb1 O5 104.03(16) 18_655 16_545 ?
O5 Rb1 O5 127.5(3) . 17 ?
O5 Rb1 O5 104.03(16) . 2_655 ?
O5 Rb1 O5 124.2(3) . 16_545 ?
O5 Rb1 O5 104.03(16) 17 16_545 ?
O5 Rb1 O5 104.03(16) . 3_665 ?
O5 Rb1 O5 127.5(3) 18_655 3_665 ?
O5 Rb1 O5 124.2(3) 2_655 18_655 ?
O5 Rb1 O5 49.0(3) 2_655 17 ?
O5 Rb1 O5 104.03(16) 2_655 3_665 ?
O5 Rb1 O5 127.5(3) 2_655 16_545 ?
O5 Rb1 O5 49.0(3) . 18_655 ?
O5 Rb1 O5 104.03(16) 18_655 17 ?
O5 Rb1 O5 124.2(3) 17 3_665 ?
O5 Rb1 O5 49.0(3) 16_545 3_665 ?
O5 Rb1 B1 23.4(2) . 12 ?
O5 Rb1 B1 107.8(3) 16_545 12 ?
O5 Rb1 B1 148.0(3) 17 12 ?
O5 Rb1 B1 80.7(2) 2_655 10 ?
O5 Rb1 B1 110.1(2) . 10 ?
O5 Rb1 B1 107.8(3) . 9 ?
O5 Rb1 B1 65.4(2) . 7 ?
O5 Rb1 B1 65.4(2) 3_665 9 ?
O5 Rb1 B1 65.4(2) 16_545 10 ?
O5 Rb1 B1 148.0(3) . 8 ?
O5 Rb1 B1 23.4(2) 18_655 7 ?
O5 Rb1 B1 148.0(3) 3_665 7 ?
O5 Rb1 B1 80.7(2) 18_655 9 ?
O5 Rb1 B1 110.1(2) 2_655 12 ?
O5 Rb1 B1 80.6(2) 16_545 8 ?
O5 Rb1 B1 110.1(2) 17 9 ?
O5 Rb1 B1 23.4(2) 16_545 9 ?
O5 Rb1 B1 107.8(3) 17 10 ?
O5 Rb1 B1 148.0(3) 16_545 11 ?
O5 Rb1 B1 23.4(2) 3_665 10 ?
O5 Rb1 B1 65.4(2) 18_655 12 ?
O5 Rb1 B1 107.8(3) 2_655 7 ?
O5 Rb1 B1 110.1(2) 16_545 7 ?
O5 Rb1 B1 110.1(2) 3_665 11 ?
O5 Rb1 B1 110.1(2) 18_655 8 ?
O5 Rb1 B1 148.0(3) 18_655 10 ?
O5 Rb1 B1 65.4(2) 17 11 ?
O5 Rb1 B1 65.4(2) 2_655 8 ?
O5 Rb1 B1 23.4(2) 2_655 11 ?
O5 Rb1 B1 23.4(2) 17 8 ?
O5 Rb1 B1 107.8(2) 18_655 11 ?
O5 Rb1 B1 80.7(2) . 11 ?
O5 Rb1 B1 80.6(2) 3_665 12 ?
O5 Rb1 B1 107.8(2) 3_665 8 ?
O5 Rb1 B1 80.6(2) 17 7 ?
O5 Rb1 B1 148.0(3) 2_655 9 ?
B1 Rb1 B1 85.7(4) 11 8 ?
B1 Rb1 B1 98.2(4) 10 8 ?
B1 Rb1 B1 88.4(3) 7 8 ?
B1 Rb1 B1 98.2(4) 11 7 ?
B1 Rb1 B1 85.7(4) 12 7 ?
B1 Rb1 B1 88.4(3) 12 11 ?
B1 Rb1 B1 171.0(4) 11 9 ?
B1 Rb1 B1 88.4(3) 7 9 ?
B1 Rb1 B1 85.7(4) 10 9 ?
B1 Rb1 B1 171.0(4) 12 8 ?
B1 Rb1 B1 88.4(3) 12 10 ?
B1 Rb1 B1 88.4(3) 11 10 ?
B1 Rb1 B1 171.0(4) 7 10 ?
B1 Rb1 B1 88.4(3) 8 9 ?
B1 Rb1 B1 98.2(4) 12 9 ?
O1 Rb2 O1 139.3(2) 4_545 3_665 ?
O1 Rb2 O3 75.26(18) 3_665 5 ?
O1 Rb2 O3 105.12(19) 3_665 . ?
O1 Rb2 O3 105.12(19) 4_545 5 ?
O1 Rb2 O3 75.26(18) 4_545 . ?
O1 Rb2 B3 151.3(2) 4_545 . ?
O1 Rb2 B3 69.2(2) 3_665 . ?
O1 Rb2 B2 110.33(12) 4_545 15_654 ?
O1 Rb2 B2 110.33(12) 3_665 15_654 ?
O1 Rb2 B1 99.3(2) 4_545 12 ?
O1 Rb2 B1 99.3(2) 3_665 14_544 ?
O1 Rb2 B1 87.0(2) 3_665 12 ?
O1 Rb2 B1 87.0(2) 4_545 14_544 ?
O2 Rb2 O1 116.35(18) 12 4_545 ?
O2 Rb2 O1 63.83(18) 14_544 4_545 ?
O2 Rb2 O1 63.83(18) 12 3_665 ?
O2 Rb2 O1 116.35(18) 14_544 3_665 ?
O2 Rb2 O2 179.5(3) 12 14_544 ?
O2 Rb2 O3 135.89(19) 14_544 . ?
O2 Rb2 O3 135.89(19) 12 5 ?
O2 Rb2 O3 44.11(19) 14_544 5 ?
O2 Rb2 O3 44.11(19) 12 . ?
O2 Rb2 O4 72.6(2) 12 10_545 ?
O2 Rb2 O4 72.6(2) 14_544 15_654 ?
O2 Rb2 O4 107.0(2) 14_544 10_545 ?
O2 Rb2 O4 107.0(2) 12 15_654 ?
O2 Rb2 B3 75.2(2) 12 . ?
O2 Rb2 B3 104.4(2) 14_544 . ?
O2 Rb2 B2 89.77(16) 14_544 15_654 ?
O2 Rb2 B2 89.77(16) 12 15_654 ?
O2 Rb2 B1 156.6(2) 12 14_544 ?
O2 Rb2 B1 23.2(2) 12 12 ?
O2 Rb2 B1 23.2(2) 14_544 14_544 ?
O2 Rb2 B1 156.6(2) 14_544 12 ?
O3 Rb2 O3 178.9(4) 5 . ?
O3 Rb2 B3 75.5(2) 5 . ?
O3 Rb2 B3 103.7(2) . . ?
O3 Rb2 B2 89.46(18) . 15_654 ?
O3 Rb2 B2 89.46(18) 5 15_654 ?
O3 Rb2 B1 155.5(2) . 14_544 ?
O3 Rb2 B1 24.1(2) . 12 ?
O3 Rb2 B1 24.1(2) 5 14_544 ?
O3 Rb2 B1 155.5(2) 5 12 ?
O4 Rb2 O1 132.84(19) 15_654 3_665 ?
O4 Rb2 O1 87.40(18) 10_545 3_665 ?
O4 Rb2 O1 87.40(18) 15_654 4_545 ?
O4 Rb2 O1 132.84(19) 10_545 4_545 ?
O4 Rb2 O3 88.6(2) 10_545 . ?
O4 Rb2 O3 90.5(2) 10_545 5 ?
O4 Rb2 O3 88.6(2) 15_654 5 ?
O4 Rb2 O3 90.5(2) 15_654 . ?
O4 Rb2 O4 48.1(3) 10_545 15_654 ?
O4 Rb2 B3 21.3(2) 10_545 . ?
O4 Rb2 B3 63.9(2) 15_654 . ?
O4 Rb2 B2 24.04(14) 15_654 15_654 ?
O4 Rb2 B2 24.04(14) 10_545 15_654 ?
O4 Rb2 B1 71.7(2) 10_545 12 ?
O4 Rb2 B1 71.7(2) 15_654 14_544 ?
O4 Rb2 B1 91.4(2) 10_545 14_544 ?
O4 Rb2 B1 91.4(2) 15_654 12 ?
B2 Rb2 B3 41.32(18) 15_654 . ?
B1 Rb2 B3 82.6(2) 12 . ?
B1 Rb2 B3 83.8(3) 14_544 . ?
B1 Rb2 B2 80.9(2) 14_544 15_654 ?
B1 Rb2 B2 80.9(2) 12 15_654 ?
B1 Rb2 B1 161.8(4) 12 14_544 ?
O2 Rb3 O2 139.6(3) . 12 ?
O2 Rb3 O3 43.2(2) . 12 ?
O2 Rb3 O3 98.7(2) . . ?
O2 Rb3 O3 43.2(2) 12 . ?
O2 Rb3 O3 98.7(2) 12 12 ?
O2 Rb3 O4 86.41(19) . 3_665 ?
O2 Rb3 O4 116.33(19) . 11_455 ?
O2 Rb3 O4 116.33(19) 12 3_665 ?
O2 Rb3 O4 86.41(19) 12 11_455 ?
O2 Rb3 B2 95.1(3) 12 3_665 ?
O2 Rb3 B2 110.8(2) . 3_665 ?
O2 Rb3 B2 110.8(2) 12 14_544 ?
O2 Rb3 B2 95.1(3) . 14_544 ?
O2 Rb3 B1 122.2(2) . 12 ?
O2 Rb3 B1 22.6(2) . . ?
O2 Rb3 B1 122.2(2) 12 . ?
O2 Rb3 B1 22.6(2) 12 12 ?
O3 Rb3 O3 66.6(3) 12 . ?
O3 Rb3 B2 104.8(3) 12 14_544 ?
O3 Rb3 B2 144.95(17) . 14_544 ?
O3 Rb3 B2 104.8(3) . 3_665 ?
O3 Rb3 B2 144.95(17) 12 3_665 ?
O3 Rb3 B1 88.3(2) 12 12 ?
O3 Rb3 B1 23.6(2) 12 . ?
O3 Rb3 B1 23.6(2) . 12 ?
O3 Rb3 B1 88.3(2) . . ?
O5 Rb3 O2 75.7(2) 11_455 . ?
O5 Rb3 O2 134.47(19) 11_455 12 ?
O5 Rb3 O2 134.47(19) 3_665 . ?
O5 Rb3 O2 75.7(2) 3_665 12 ?
O5 Rb3 O3 161.0(2) 3_665 12 ?
O5 Rb3 O3 161.0(2) 11_455 . ?
O5 Rb3 O3 98.8(2) 11_455 12 ?
O5 Rb3 O3 98.8(2) 3_665 . ?
O5 Rb3 O5 97.9(3) 3_665 11_455 ?
O5 Rb3 O4 48.06(19) 3_665 3_665 ?
O5 Rb3 O4 86.8(2) 3_665 11_455 ?
O5 Rb3 O4 48.06(19) 11_455 11_455 ?
O5 Rb3 O4 86.8(2) 11_455 3_665 ?
O5 Rb3 B2 23.7(2) 11_455 14_544 ?
O5 Rb3 B2 94.1(3) 3_665 14_544 ?
O5 Rb3 B2 23.7(2) 3_665 3_665 ?
O5 Rb3 B2 94.1(3) 11_455 3_665 ?
O5 Rb3 B1 156.9(2) 3_665 . ?
O5 Rb3 B1 156.9(2) 11_455 12 ?
O5 Rb3 B1 79.9(2) 3_665 12 ?
O5 Rb3 B1 79.9(2) 11_455 . ?
O4 Rb3 O3 111.2(2) 11_455 12 ?
O4 Rb3 O3 111.2(2) 3_665 . ?
O4 Rb3 O3 124.0(2) 3_665 12 ?
O4 Rb3 O3 124.1(2) 11_455 . ?
O4 Rb3 O4 113.1(3) 3_665 11_455 ?
O4 Rb3 B2 101.65(15) 3_665 14_544 ?
O4 Rb3 B2 101.65(15) 11_455 3_665 ?
O4 Rb3 B2 24.4(2) 11_455 14_544 ?
O4 Rb3 B2 24.4(2) 3_665 3_665 ?
O4 Rb3 B1 108.9(2) 11_455 12 ?
O4 Rb3 B1 107.5(2) 11_455 . ?
O4 Rb3 B1 108.9(2) 3_665 . ?
O4 Rb3 B1 107.5(2) 3_665 12 ?
B2 Rb3 B2 100.0(3) 3_665 14_544 ?
B1 Rb3 B2 133.1(3) 12 14_544 ?
B1 Rb3 B2 92.5(3) 12 3_665 ?
B1 Rb3 B2 92.5(3) . 14_544 ?
B1 Rb3 B2 133.1(3) . 3_665 ?
B1 Rb3 B1 111.1(4) . 12 ?
Gd1 O1 Rb2 91.8(2) . 2_655 ?
Gd1 O1 Sr1 91.5(2) . . ?
B3 O1 Gd1 132.9(7) . . ?
B3 O1 Rb2 100.8(7) . 2_655 ?
B3 O1 Sr1 124.3(7) . . ?
Sr1 O1 Rb2 110.9(3) . 2_655 ?
Gd1 O2 Rb1 88.1(2) 10_445 13_444 ?
Gd1 O2 Rb2 100.9(2) 10_445 9 ?
Gd1 O2 Rb3 108.8(3) 10_445 . ?
Rb2 O2 Rb1 169.8(2) 9 13_444 ?
Rb2 O2 Rb3 89.3(2) 9 . ?
Rb3 O2 Rb1 92.54(19) . 13_444 ?
B1 O2 Gd1 145.0(7) . 10_445 ?
B1 O2 Rb1 71.8(6) . 13_444 ?
B1 O2 Rb2 98.0(6) . 9 ?
B1 O2 Rb3 100.7(7) . . ?
Rb2 O3 Rb3 76.46(16) . . ?
B3 O3 Rb2 137.9(7) 8_545 . ?
B3 O3 Rb3 135.9(8) 8_545 . ?
B1 O3 Rb2 82.1(6) 12 . ?
B1 O3 Rb3 81.4(6) 12 . ?
B1 O3 B3 122.2(8) 12 8_545 ?
Rb3 O5 Rb1 110.2(2) 2_655 . ?
B2 O5 Rb1 101.6(6) . . ?
B2 O5 Rb3 105.0(4) . 2_655 ?
B1 O5 Rb1 99.6(6) 12 . ?
B1 O5 Rb3 114.5(6) 12 2_655 ?
B1 O5 B2 124.4(7) 12 . ?
Rb2 O4 Rb3 123.8(2) 8_545 2_655 ?
B3 O4 Rb2 107.7(6) 10_545 8_545 ?
B3 O4 Rb3 103.1(7) 10_545 2_655 ?
B3 O4 B2 124.7(7) 10_545 . ?
B2 O4 Rb2 101.4(7) . 8_545 ?
B2 O4 Rb3 97.9(5) . 2_655 ?
Rb2 B3 Rb2 138.2(3) . 2_655 ?
Rb3 B3 Rb2 69.2(2) 2_655 2_655 ?
Rb3 B3 Rb2 93.9(3) 2_655 . ?
O1 B3 Rb2 88.0(7) . . ?
O1 B3 Rb2 58.3(6) . 2_655 ?
O1 B3 Rb3 96.9(6) . 2_655 ?
O1 B3 O3 121.1(10) . 15_654 ?
O1 B3 O4 121.2(9) . 10_545 ?
O1 B3 Sr1 37.1(5) . . ?
O3 B3 Rb2 89.1(7) 15_654 2_655 ?
O3 B3 Rb2 131.8(8) 15_654 . ?
O3 B3 Rb3 116.8(7) 15_654 2_655 ?
O3 B3 Sr1 98.0(6) 15_654 . ?
O4 B3 Rb2 51.0(5) 10_545 . ?
O4 B3 Rb2 124.0(7) 10_545 2_655 ?
O4 B3 Rb3 54.9(5) 10_545 2_655 ?
O4 B3 O3 117.6(9) 10_545 15_654 ?
O4 B3 Sr1 133.4(7) 10_545 . ?
Sr1 B3 Rb2 82.7(3) . 2_655 ?
Sr1 B3 Rb2 83.1(2) . . ?
Sr1 B3 Rb3 133.8(3) . 2_655 ?
Rb1 B2 Rb2 180.0 . 8_545 ?
Rb1 B2 Rb3 84.0(3) . 2_655 ?
Rb1 B2 Rb3 84.0(3) . 9 ?
Rb3 B2 Rb2 96.0(3) 9 8_545 ?
Rb3 B2 Rb2 96.0(3) 2_655 8_545 ?
Rb3 B2 Rb3 168.1(5) 2_655 9 ?
O5 B2 Rb1 53.9(6) 18_655 . ?
O5 B2 Rb1 53.9(6) . . ?
O5 B2 Rb2 126.1(6) 18_655 8_545 ?
O5 B2 Rb2 126.1(6) . 8_545 ?
O5 B2 Rb3 51.2(3) . 2_655 ?
O5 B2 Rb3 120.2(6) 18_655 2_655 ?
O5 B2 Rb3 120.2(6) . 9 ?
O5 B2 Rb3 51.2(3) 18_655 9 ?
O5 B2 O5 107.8(12) . 18_655 ?
O5 B2 O4 111.3(4) 18_655 . ?
O5 B2 O4 111.3(4) . 18_655 ?
O5 B2 O4 108.7(4) . . ?
O5 B2 O4 108.7(4) 18_655 18_655 ?
O4 B2 Rb1 125.5(6) . . ?
O4 B2 Rb1 125.5(6) 18_655 . ?
O4 B2 Rb2 54.5(6) 18_655 8_545 ?
O4 B2 Rb2 54.5(6) . 8_545 ?
O4 B2 Rb3 57.7(3) . 2_655 ?
O4 B2 Rb3 57.7(3) 18_655 9 ?
O4 B2 Rb3 130.9(5) 18_655 2_655 ?
O4 B2 Rb3 130.9(5) . 9 ?
O4 B2 O4 109.1(12) . 18_655 ?
Rb1 B1 Rb2 144.9(4) 13_444 9 ?
Rb1 B1 Rb3 84.0(3) 13_444 3 ?
Rb1 B1 Rb3 87.1(3) 13_444 . ?
Rb2 B1 Rb3 74.1(2) 9 . ?
Rb2 B1 Rb3 97.2(3) 9 3 ?
Rb3 B1 Rb3 149.4(4) . 3 ?
O2 B1 Rb1 86.0(6) . 13_444 ?
O2 B1 Rb2 58.9(5) . 9 ?
O2 B1 Rb3 93.4(7) . 3 ?
O2 B1 Rb3 56.8(6) . . ?
O2 B1 O3 118.5(10) . 12 ?
O2 B1 O5 122.4(10) . 12 ?
O3 B1 Rb1 130.1(8) 12 13_444 ?
O3 B1 Rb2 73.9(6) 12 9 ?
O3 B1 Rb3 75.1(6) 12 . ?
O3 B1 Rb3 131.6(8) 12 3 ?
O5 B1 Rb1 57.0(5) 12 13_444 ?
O5 B1 Rb2 141.1(7) 12 9 ?
O5 B1 Rb3 142.8(7) 12 . ?
O5 B1 Rb3 45.6(5) 12 3 ?
O5 B1 O3 119.0(9) 12 12 ?
O1 Sr1 O1 72.8(2) . 2_655 ?
O1 Sr1 O1 72.8(2) 16_544 18_654 ?
O1 Sr1 O1 114.0(3) . 18_654 ?
O1 Sr1 O1 101.6(3) . 17_554 ?
O1 Sr1 O1 170.0(4) 17_554 3_665 ?
O1 Sr1 O1 101.6(3) 18_654 3_665 ?
O1 Sr1 O1 114.0(3) 16_544 3_665 ?
O1 Sr1 O1 170.0(4) 18_654 2_655 ?
O1 Sr1 O1 114.0(3) 17_554 2_655 ?
O1 Sr1 O1 170.0(4) 16_544 . ?
O1 Sr1 O1 72.8(2) 3_665 2_655 ?
O1 Sr1 O1 72.8(2) 18_654 17_554 ?
O1 Sr1 O1 72.8(2) 16_544 17_554 ?
O1 Sr1 O1 72.8(2) . 3_665 ?
O1 Sr1 O1 101.6(3) 16_544 2_655 ?
O1 Sr1 B3 92.7(3) 18_654 3_665 ?
O1 Sr1 B3 91.3(3) 18_654 17_554 ?
O1 Sr1 B3 95.8(3) 18_654 . ?
O1 Sr1 B3 95.8(3) 17_554 2_655 ?
O1 Sr1 B3 91.3(3) 16_544 18_654 ?
O1 Sr1 B3 18.6(2) . . ?
O1 Sr1 B3 18.6(2) 3_665 3_665 ?
O1 Sr1 B3 92.7(3) . 17_554 ?
O1 Sr1 B3 163.5(2) 2_655 18_654 ?
O1 Sr1 B3 79.5(3) 16_544 17_554 ?
O1 Sr1 B3 163.5(2) 18_654 2_655 ?
O1 Sr1 B3 163.5(2) 16_544 . ?
O1 Sr1 B3 163.5(2) 17_554 3_665 ?
O1 Sr1 B3 79.5(3) 3_665 . ?
O1 Sr1 B3 79.5(3) 2_655 3_665 ?
O1 Sr1 B3 79.5(3) 17_554 18_654 ?
O1 Sr1 B3 95.8(3) 16_544 3_665 ?
O1 Sr1 B3 95.8(3) 3_665 16_544 ?
O1 Sr1 B3 92.7(3) 2_655 16_544 ?
O1 Sr1 B3 92.7(3) 16_544 2_655 ?
O1 Sr1 B3 92.7(3) 17_554 . ?
O1 Sr1 B3 79.5(3) . 2_655 ?
O1 Sr1 B3 91.3(3) 3_665 2_655 ?
O1 Sr1 B3 18.6(2) 17_554 17_554 ?
O1 Sr1 B3 18.6(2) 2_655 2_655 ?
O1 Sr1 B3 163.5(2) 3_665 17_554 ?
O1 Sr1 B3 163.5(2) . 16_544 ?
O1 Sr1 B3 18.6(2) 18_654 18_654 ?
O1 Sr1 B3 79.5(3) 18_654 16_544 ?
O1 Sr1 B3 95.8(3) 2_655 17_554 ?
O1 Sr1 B3 92.7(3) 3_665 18_654 ?
O1 Sr1 B3 18.6(2) 16_544 16_544 ?
O1 Sr1 B3 91.3(3) 2_655 . ?
O1 Sr1 B3 95.8(3) . 18_654 ?
O1 Sr1 B3 91.3(3) 17_554 16_544 ?
O1 Sr1 B3 91.3(3) . 3_665 ?
B3 Sr1 B3 96.6(2) . 2_655 ?
B3 Sr1 B3 78.2(4) 17_554 2_655 ?
B3 Sr1 B3 172.7(5) 18_654 2_655 ?
B3 Sr1 B3 89.1(4) . 17_554 ?
B3 Sr1 B3 96.6(2) 18_654 17_554 ?
B3 Sr1 B3 89.1(4) 16_544 2_655 ?
B3 Sr1 B3 96.6(2) 17_554 16_544 ?
B3 Sr1 B3 89.1(4) 18_654 3_665 ?
B3 Sr1 B3 172.7(5) 17_554 3_665 ?
B3 Sr1 B3 78.2(4) 16_544 3_665 ?
B3 Sr1 B3 96.6(2) 18_654 16_544 ?
B3 Sr1 B3 96.6(2) 2_655 3_665 ?
B3 Sr1 B3 78.2(4) . 18_654 ?
B3 Sr1 B3 172.7(5) . 16_544 ?
B3 Sr1 B3 96.6(2) . 3_665 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.065
_oxdiff_exptl_absorpt_empirical_full_min 0.636
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
