#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:25:00 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180504 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/73/7217352.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_7217352
loop_
_publ_author_name
'Fortea-Pérez, Francisco R.'
'Marino, Nadia'
'Armentano, Donatella'
'De Munno, Giovanni'
'Julve, Miguel'
'Stiriba, Salah-Eddine'
_publ_section_title
;
 Solid-state cis--trans isomerism in bis(oxamato)palladate(ii) complexes:
 synthesis, structural studies and catalytic activity
;
_journal_issue                   30
_journal_name_full               CrystEngComm
_journal_page_first              6971
_journal_paper_doi               10.1039/C4CE00669K
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C40 H42 N4 O15 Pd2 Rb4'
_chemical_formula_sum            'C40 H42 N4 O15 Pd2 Rb4'
_chemical_formula_weight         1373.45
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 124.878(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.4305(10)
_cell_length_b                   25.1810(19)
_cell_length_c                   14.1936(7)
_cell_measurement_reflns_used    9037
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.01
_cell_measurement_theta_min      2.86
_cell_volume                     4817.6(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0203
_diffrn_reflns_av_unetI/netI     0.0108
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            76964
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.731
_diffrn_reflns_theta_min         1.617
_exptl_absorpt_coefficient_mu    4.830
_exptl_absorpt_correction_T_max  0.0285
_exptl_absorpt_correction_T_min  0.0104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_description       PRISM
_exptl_crystal_F_000             2680
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_refine_diff_density_max         3.218
_refine_diff_density_min         -3.262
_refine_diff_density_rms         0.272
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.139(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         10045
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0628
_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)+(0.1685P)²+8.7702P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1924
_refine_ls_wR_factor_ref         0.1973
_reflns_Friedel_coverage         0.997
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                9770
_reflns_number_total             10045
_reflns_threshold_expression     'I > 2σ(I)'
_cod_duplicate_entry             7216174
_cod_data_source_file            c4ce00669k2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               7217352
#BEGIN Tags that were not found in dictionaries:
_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.
;
_shelx_estimated_absorpt_t_min   0.378
_shelx_estimated_absorpt_t_max   0.595
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Pd1 Pd 0.34651(5) 0.37753(3) 1.37934(6) 0.0385(2) Uani 1 1 d . .
Pd2 Pd -0.16619(5) 0.38258(3) 0.40307(6) 0.0375(2) Uani 1 1 d . .
C1 C 0.5294(9) 0.4107(6) 1.5781(12) 0.051(3) Uani 1 1 d . .
C2 C 0.5004(8) 0.4546(5) 1.4864(10) 0.043(2) Uani 1 1 d . .
O1 O 0.4726(8) 0.3685(4) 1.5380(8) 0.055(2) Uani 1 1 d . .
O2 O 0.5977(7) 0.4161(5) 1.6765(8) 0.063(3) Uani 1 1 d . .
O3 O 0.5568(8) 0.4935(4) 1.5119(9) 0.058(2) Uani 1 1 d . .
N1 N 0.4163(8) 0.4442(4) 1.3843(9) 0.044(2) Uani 1 1 d . .
C3 C 0.3901(9) 0.4803(5) 1.2919(10) 0.042(2) Uani 1 1 d . .
C4 C 0.3285(11) 0.5231(5) 1.2663(10) 0.052(3) Uani 1 1 d . .
C5 C 0.3056(15) 0.5565(7) 1.1771(16) 0.074(5) Uani 1 1 d . .
H5 H 0.2659 0.5862 1.1598 0.089 Uiso 1 1 calc R U
C6 C 0.3441(18) 0.5443(10) 1.1127(13) 0.090(7) Uani 1 1 d . .
H6 H 0.3247 0.5645 1.0483 0.108 Uiso 1 1 calc R U
C7 C 0.4057(15) 0.5057(9) 1.1414(13) 0.074(5) Uani 1 1 d . .
H7 H 0.4199 0.4947 1.0860 0.089 Uiso 1 1 calc R U
C8 C 0.4325(11) 0.4713(7) 1.2308(13) 0.061(4) Uani 1 1 d . .
C9 C 0.5044(13) 0.4272(8) 1.2608(17) 0.075(5) Uani 1 1 d . .
H9A H 0.4689 0.3958 1.2194 0.113 Uiso 1 1 calc R U
H9B H 0.5417 0.4204 1.3418 0.113 Uiso 1 1 calc R U
H9C H 0.5489 0.4372 1.2404 0.113 Uiso 1 1 calc R U
C10 C 0.2892(13) 0.5351(7) 1.3376(14) 0.068(4) Uani 1 1 d . .
H10A H 0.2474 0.5659 1.3074 0.103 Uiso 1 1 calc R U
H10B H 0.3437 0.5416 1.4156 0.103 Uiso 1 1 calc R U
H10C H 0.2514 0.5053 1.3350 0.103 Uiso 1 1 calc R U
C11 C 0.2133(9) 0.2922(5) 1.3068(10) 0.045(2) Uani 1 1 d . .
C12 C 0.1606(8) 0.3326(4) 1.2059(9) 0.040(2) Uani 1 1 d . .
O11 O 0.2958(7) 0.3070(4) 1.3963(8) 0.051(2) Uani 1 1 d . .
O12 O 0.1722(7) 0.2501(4) 1.2971(8) 0.061(3) Uani 1 1 d . .
O13 O 0.0802(7) 0.3201(4) 1.1155(8) 0.058(2) Uani 1 1 d . .
N11 N 0.2122(8) 0.3770(4) 1.2273(9) 0.043(2) Uani 1 1 d . .
C13 C 0.1612(9) 0.4177(4) 1.1429(10) 0.042(2) Uani 1 1 d . .
C14 C 0.1805(9) 0.4215(4) 1.0562(10) 0.042(2) Uani 1 1 d . .
C15 C 0.1291(11) 0.4634(6) 0.9716(12) 0.053(3) Uani 1 1 d . .
H15 H 0.1473 0.4708 0.9182 0.064 Uiso 1 1 calc R U
C16 C 0.0673(13) 0.4954(6) 0.9741(15) 0.063(4) Uani 1 1 d . .
H16 H 0.0358 0.5220 0.9191 0.076 Uiso 1 1 calc R U
C17 C 0.0475(11) 0.4904(6) 1.0586(13) 0.056(3) Uani 1 1 d . .
H17 H 0.0032 0.5136 1.0579 0.067 Uiso 1 1 calc R U
C18 C 0.0933(9) 0.4515(6) 1.1419(11) 0.049(3) Uani 1 1 d . .
C19 C 0.0701(13) 0.4433(7) 1.2297(14) 0.060(3) Uani 1 1 d . .
H19A H 0.1098 0.4669 1.2932 0.091 Uiso 1 1 calc R U
H19B H 0.0846 0.4072 1.2565 0.091 Uiso 1 1 calc R U
H19C H 0.0011 0.4504 1.1951 0.091 Uiso 1 1 calc R U
C20 C 0.2479(13) 0.3835(6) 1.0526(15) 0.058(3) Uani 1 1 d . .
H20A H 0.3139 0.3979 1.0950 0.088 Uiso 1 1 calc R U
H20B H 0.2253 0.3778 0.9744 0.088 Uiso 1 1 calc R U
H20C H 0.2482 0.3504 1.0863 0.088 Uiso 1 1 calc R U
C21 C -0.2097(9) 0.4604(5) 0.5105(11) 0.044(2) Uani 1 1 d . .
C22 C -0.1615(9) 0.4149(5) 0.5981(10) 0.043(2) Uani 1 1 d . .
O21 O -0.2263(7) 0.4514(4) 0.4123(8) 0.0492(19) Uani 1 1 d . .
O22 O -0.2352(9) 0.5012(4) 0.5342(9) 0.057(2) Uani 1 1 d . .
O23 O -0.1469(8) 0.4191(4) 0.6940(8) 0.058(2) Uani 1 1 d . .
N21 N -0.1362(8) 0.3732(4) 0.5621(9) 0.0401(19) Uani 1 1 d . .
C23 C -0.0977(7) 0.3282(4) 0.6376(8) 0.0364(19) Uani 1 1 d . .
C24 C 0.0054(8) 0.3210(4) 0.7130(9) 0.041(2) Uani 1 1 d . .
C25 C 0.0415(9) 0.2791(6) 0.7897(11) 0.052(3) Uani 1 1 d . .
H25 H 0.1128 0.2714 0.8352 0.062 Uiso 1 1 calc R U
C26 C -0.0206(11) 0.2441(5) 0.7933(12) 0.057(3) Uani 1 1 d . .
H26 H 0.0066 0.2127 0.8429 0.068 Uiso 1 1 calc R U
C27 C -0.1255(11) 0.2512(6) 0.7175(13) 0.056(3) Uani 1 1 d . .
H27 H -0.1679 0.2271 0.7186 0.067 Uiso 1 1 calc R U
C28 C -0.1644(9) 0.2941(5) 0.6416(10) 0.045(2) Uani 1 1 d . .
C29 C -0.2742(10) 0.3025(8) 0.5664(13) 0.065(4) Uani 1 1 d . .
H29A H -0.3022 0.2825 0.4969 0.097 Uiso 1 1 calc R U
H29B H -0.2880 0.3396 0.5482 0.097 Uiso 1 1 calc R U
H29C H -0.3027 0.2910 0.6060 0.097 Uiso 1 1 calc R U
C30 C 0.0745(10) 0.3601(6) 0.7139(12) 0.055(3) Uani 1 1 d . .
H30A H 0.0910 0.3483 0.6624 0.083 Uiso 1 1 calc R U
H30B H 0.1339 0.3628 0.7902 0.083 Uiso 1 1 calc R U
H30C H 0.0429 0.3942 0.6896 0.083 Uiso 1 1 calc R U
C31 C -0.1961(11) 0.3651(5) 0.1903(11) 0.047(2) Uani 1 1 d . .
C32 C -0.1300(9) 0.3181(4) 0.2668(10) 0.042(2) Uani 1 1 d . .
O31 O -0.2118(8) 0.4009(3) 0.2432(8) 0.053(2) Uani 1 1 d . .
O32 O -0.2301(10) 0.3662(4) 0.0873(9) 0.061(3) Uani 1 1 d . .
O33 O -0.1047(8) 0.2836(5) 0.2250(8) 0.064(3) Uani 1 1 d . .
N31 N -0.1085(7) 0.3202(4) 0.3713(8) 0.0380(18) Uani 1 1 d . .
C33 C -0.0400(8) 0.2804(5) 0.4519(10) 0.043(2) Uani 1 1 d . .
C34 C -0.0784(9) 0.2358(5) 0.4742(11) 0.046(2) Uani 1 1 d . .
C35 C -0.0084(13) 0.2005(7) 0.5613(14) 0.067(4) Uani 1 1 d . .
H35 H -0.0305 0.1739 0.5870 0.080 Uiso 1 1 calc R U
C36 C 0.0873(14) 0.2044(8) 0.6066(15) 0.077(5) Uani 1 1 d . .
H36 H 0.1297 0.1770 0.6522 0.092 Uiso 1 1 calc R U
C37 C 0.1279(11) 0.2518(8) 0.5857(15) 0.072(4) Uani 1 1 d . .
H37 H 0.1958 0.2581 0.6280 0.086 Uiso 1 1 calc R U
C38 C 0.0624(10) 0.2859(6) 0.5024(12) 0.056(3) Uani 1 1 d . .
C39 C 0.1018(12) 0.3314(7) 0.4673(17) 0.069(4) Uani 1 1 d . .
H39A H 0.1728 0.3293 0.5110 0.104 Uiso 1 1 calc R U
H39B H 0.0828 0.3648 0.4820 0.104 Uiso 1 1 calc R U
H39C H 0.0745 0.3286 0.3870 0.104 Uiso 1 1 calc R U
C40 C -0.1858(11) 0.2287(6) 0.4154(14) 0.064(3) Uani 1 1 d . .
H40A H -0.2202 0.2576 0.3630 0.096 Uiso 1 1 calc R U
H40B H -0.2013 0.2281 0.4711 0.096 Uiso 1 1 calc R U
H40C H -0.2059 0.1959 0.3737 0.096 Uiso 1 1 calc R U
Rb1 Rb 0.09433(13) 0.07439(6) 1.38998(15) 0.0644(3) Uani 1 1 d . U
Rb2 Rb -0.03049(15) 0.23304(8) 1.11453(17) 0.0783(5) Uani 1 1 d . U
Rb3 Rb -0.04882(11) 0.36507(7) 0.90115(12) 0.0607(4) Uani 1 1 d . U
Rb4 Rb -0.25750(17) 0.49160(9) 0.72073(19) 0.0852(5) Uani 1 1 d . U
O1W O 0.014(2) 0.1833(8) 1.323(2) 0.136(9) Uani 1 1 d . U
O2W O -0.1733(9) 0.3152(4) 0.9626(9) 0.0597(19) Uani 1 1 d . U
O3W O -0.1886(11) 0.4254(5) 0.9178(13) 0.073(3) Uani 1 1 d . U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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
N1 Pd1 N11 107.2(4) . .
N1 Pd1 O1 81.6(4) . .
N11 Pd1 O1 171.1(4) . .
N1 Pd1 O11 171.4(4) . .
N11 Pd1 O11 81.4(4) . .
O1 Pd1 O11 89.9(4) . .
N1 Pd1 Rb2 124.0(3) . 4
N11 Pd1 Rb2 128.6(3) . 4
O1 Pd1 Rb2 42.9(3) . 4
O11 Pd1 Rb2 47.4(3) . 4
O31 Pd2 N31 81.0(4) . .
O31 Pd2 N21 170.4(4) . .
N31 Pd2 N21 108.2(4) . .
O31 Pd2 O21 89.8(3) . .
N31 Pd2 O21 170.4(4) . .
N21 Pd2 O21 81.1(4) . .
O31 Pd2 Rb4 44.7(2) . 2_564
N31 Pd2 Rb4 123.3(3) . 2_564
N21 Pd2 Rb4 127.0(3) . 2_564
O21 Pd2 Rb4 47.1(2) . 2_564
O2 C1 O1 123.9(13) . .
O2 C1 C2 121.8(12) . .
O1 C1 C2 114.3(11) . .
O2 C1 Rb4 45.9(7) . 1_656
O1 C1 Rb4 161.1(9) . 1_656
C2 C1 Rb4 78.4(6) . 1_656
O3 C2 N1 127.0(11) . .
O3 C2 C1 119.4(10) . .
N1 C2 C1 113.5(10) . .
O3 C2 Rb4 43.7(6) . 1_656
N1 C2 Rb4 167.3(8) . 1_656
C1 C2 Rb4 76.2(6) . 1_656
C1 O1 Pd1 114.5(8) . .
C1 O1 Rb2 137.8(8) . 4
Pd1 O1 Rb2 107.6(4) . 4
C1 O2 Rb4 116.4(9) . 1_656
C1 O2 Rb1 128.8(10) . 4
Rb4 O2 Rb1 102.5(3) 1_656 4
C2 O3 Rb4 118.2(8) . 1_656
C2 O3 Rb1 137.5(8) . 3
Rb4 O3 Rb1 99.6(3) 1_656 3
C2 N1 C3 116.6(10) . .
C2 N1 Pd1 114.6(8) . .
C3 N1 Pd1 128.7(8) . .
C4 C3 C8 120.7(13) . .
C4 C3 N1 121.7(11) . .
C8 C3 N1 117.6(12) . .
C4 C3 Rb1 88.3(8) . 3
C8 C3 Rb1 70.7(8) . 3
N1 C3 Rb1 109.2(7) . 3
C3 C4 C5 119.5(15) . .
C3 C4 C10 120.7(11) . .
C5 C4 C10 119.7(15) . .
C4 C5 C6 118.3(19) . .
C4 C5 H5 120.9 . .
C6 C5 H5 120.9 . .
C7 C6 C5 121.4(15) . .
C7 C6 H6 119.3 . .
C5 C6 H6 119.3 . .
C6 C7 C8 122.8(18) . .
C6 C7 Rb1 91.6(12) . 3
C8 C7 Rb1 75.7(9) . 3
C6 C7 H7 117.6 . .
C8 C7 H7 117.6 . .
Rb1 C7 H7 117.6 3 .
C7 C8 C3 117.0(17) . .
C7 C8 C9 120.7(16) . .
C3 C8 C9 122.2(15) . .
C7 C8 Rb1 81.6(9) . 3
C3 C8 Rb1 86.8(8) . 3
C9 C8 Rb1 100.6(9) . 3
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C4 C10 H10A 109.5 . .
C4 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C4 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O12 C11 O11 124.8(11) . .
O12 C11 C12 118.9(10) . .
O11 C11 C12 116.2(10) . .
O12 C11 Rb2 42.2(6) . .
O11 C11 Rb2 163.0(9) . .
C12 C11 Rb2 77.4(6) . .
O13 C12 N11 127.6(11) . .
O13 C12 C11 119.1(10) . .
N11 C12 C11 113.2(10) . .
O13 C12 Rb2 42.8(6) . .
N11 C12 Rb2 166.2(8) . .
C11 C12 Rb2 77.8(6) . .
C11 O11 Pd1 114.3(8) . .
C11 O11 Rb2 142.1(7) . 4
Pd1 O11 Rb2 102.0(3) . 4
C11 O12 Rb2 121.1(8) . .
C12 O13 Rb3 136.3(8) . .
C12 O13 Rb2 119.9(8) . .
Rb3 O13 Rb2 103.0(3) . .
C12 N11 C13 114.8(10) . .
C12 N11 Pd1 114.4(8) . .
C13 N11 Pd1 130.6(8) . .
C18 C13 N11 121.9(11) . .
C18 C13 C14 121.1(11) . .
N11 C13 C14 117.0(11) . .
C18 C13 Rb3 83.4(7) . .
N11 C13 Rb3 109.5(7) . .
C14 C13 Rb3 76.1(6) . .
C13 C14 C15 116.5(11) . .
C13 C14 C20 121.3(11) . .
C15 C14 C20 122.2(12) . .
C13 C14 Rb3 79.7(6) . .
C15 C14 Rb3 82.1(7) . .
C20 C14 Rb3 106.3(8) . .
C16 C15 C14 121.2(13) . .
C16 C15 Rb3 84.9(9) . .
C14 C15 Rb3 73.7(7) . .
C16 C15 H15 119.1 . .
C14 C15 H15 119.1 . .
Rb3 C15 H15 119.1 . .
C15 C16 C17 121.5(13) . .
C15 C16 Rb3 74.1(9) . .
C17 C16 Rb3 79.8(9) . .
C15 C16 H16 119.2 . .
C17 C16 H16 119.2 . .
Rb3 C16 H16 117.5 . .
C18 C17 C16 120.8(13) . .
C18 C17 Rb3 75.2(8) . .
C16 C17 Rb3 77.8(9) . .
C18 C17 H17 119.6 . .
C16 C17 H17 119.6 . .
Rb3 C17 H17 118.2 . .
C17 C18 C13 118.8(11) . .
C17 C18 C19 122.2(13) . .
C13 C18 C19 119.0(12) . .
C17 C18 Rb3 82.8(8) . .
C13 C18 Rb3 73.7(7) . .
C19 C18 Rb3 111.8(9) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C14 C20 H20A 109.5 . .
C14 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C14 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O22 C21 O21 123.6(11) . .
O22 C21 C22 120.1(11) . .
O21 C21 C22 116.1(10) . .
O22 C21 Rb4 46.8(6) . .
O21 C21 Rb4 159.4(8) . .
C22 C21 Rb4 75.3(6) . .
O23 C22 N21 125.3(11) . .
O23 C22 C21 120.7(10) . .
N21 C22 C21 114.0(10) . .
O23 C22 Rb4 43.4(6) . .
N21 C22 Rb4 161.3(8) . .
C21 C22 Rb4 79.7(6) . .
C21 O21 Pd2 114.4(7) . .
C21 O21 Rb4 139.5(7) . 2_564
Pd2 O21 Rb4 101.3(3) . 2_564
C21 O22 Rb4 115.1(8) . .
C21 O22 Rb1 131.6(9) . 3_454
Rb4 O22 Rb1 96.9(3) . 3_454
C22 O23 Rb4 118.5(8) . .
C22 O23 Rb3 138.7(8) . .
Rb4 O23 Rb3 102.1(3) . .
C22 N21 C23 115.9(9) . .
C22 N21 Pd2 113.8(8) . .
C23 N21 Pd2 130.2(7) . .
C24 C23 C28 120.9(10) . .
C24 C23 N21 119.7(10) . .
C28 C23 N21 119.1(9) . .
C24 C23 Rb3 77.2(6) . .
C28 C23 Rb3 80.0(6) . .
N21 C23 Rb3 108.9(6) . .
C25 C24 C23 119.1(11) . .
C25 C24 C30 120.8(11) . .
C23 C24 C30 120.0(11) . .
C25 C24 Rb3 79.7(8) . .
C23 C24 Rb3 79.3(6) . .
C30 C24 Rb3 108.2(8) . .
C26 C25 C24 121.7(11) . .
C26 C25 Rb3 82.0(9) . .
C24 C25 Rb3 77.3(7) . .
C26 C25 H25 118.9 . .
C24 C25 H25 118.9 . .
Rb3 C25 H25 118.9 . .
C25 C26 C27 119.7(11) . .
C25 C26 Rb3 75.5(8) . .
C27 C26 Rb3 79.6(9) . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
Rb3 C26 H26 120.0 . .
C28 C27 C26 120.0(11) . .
C28 C27 Rb3 75.9(8) . .
C26 C27 Rb3 77.3(9) . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
Rb3 C27 H27 117.6 . .
C27 C28 C23 118.4(11) . .
C27 C28 C29 119.6(12) . .
C23 C28 C29 122.0(11) . .
C27 C28 Rb3 81.4(8) . .
C23 C28 Rb3 76.6(7) . .
C29 C28 Rb3 112.6(9) . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C24 C30 H30A 109.5 . .
C24 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C24 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O32 C31 O31 124.6(13) . .
O32 C31 C32 120.7(12) . .
O31 C31 C32 114.7(10) . .
O33 C32 N31 128.0(11) . .
O33 C32 C31 119.1(11) . .
N31 C32 C31 112.9(9) . .
C31 O31 Pd2 115.5(8) . .
C31 O31 Rb4 138.1(7) . 2_564
Pd2 O31 Rb4 104.9(4) . 2_564
C31 O32 Rb1 131.0(10) . 4_453
C32 O33 Rb2 163.1(10) . 1_554
C32 N31 C33 116.8(9) . .
C32 N31 Pd2 115.2(7) . .
C33 N31 Pd2 127.8(7) . .
C38 C33 C34 121.4(12) . .
C38 C33 N31 119.6(12) . .
C34 C33 N31 118.9(10) . .
C33 C34 C35 116.7(13) . .
C33 C34 C40 121.0(11) . .
C35 C34 C40 122.1(13) . .
C36 C35 C34 121.7(16) . .
C36 C35 H35 119.2 . .
C34 C35 H35 119.2 . .
C35 C36 C37 120.7(14) . .
C35 C36 H36 119.6 . .
C37 C36 H36 119.6 . .
C38 C37 C36 117.5(14) . .
C38 C37 H37 121.3 . .
C36 C37 H37 121.3 . .
C37 C38 C33 120.3(15) . .
C37 C38 C39 118.9(14) . .
C33 C38 C39 120.8(14) . .
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C34 C40 H40A 109.5 . .
C34 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C34 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
O1W Rb1 O3 128.8(6) . 3_445
O1W Rb1 O22 150.0(7) . 3_546
O3 Rb1 O22 66.5(3) 3_445 3_546
O1W Rb1 O32 81.5(7) . 4_556
O3 Rb1 O32 101.9(3) 3_445 4_556
O22 Rb1 O32 69.3(3) 3_546 4_556
O1W Rb1 O2 82.1(5) . 4_454
O3 Rb1 O2 139.4(3) 3_445 4_454
O22 Rb1 O2 100.7(3) 3_546 4_454
O32 Rb1 O2 109.2(3) 4_556 4_454
O1W Rb1 O3W 106.4(7) . 4
O3 Rb1 O3W 119.7(3) 3_445 4
O22 Rb1 O3W 53.3(3) 3_546 4
O32 Rb1 O3W 60.3(3) 4_556 4
O2 Rb1 O3W 59.9(3) 4_454 4
O1W Rb1 C8 116.8(7) . 3_445
O3 Rb1 C8 61.8(3) 3_445 3_445
O22 Rb1 C8 93.1(4) 3_546 3_445
O32 Rb1 C8 160.4(4) 4_556 3_445
O2 Rb1 C8 81.7(3) 4_454 3_445
O3W Rb1 C8 116.4(3) 4 3_445
O1W Rb1 C7 99.1(7) . 3_445
O3 Rb1 C7 83.7(3) 3_445 3_445
O22 Rb1 C7 109.0(5) 3_546 3_445
O32 Rb1 C7 172.4(4) 4_556 3_445
O2 Rb1 C7 63.6(3) 4_454 3_445
O3W Rb1 C7 112.6(4) 4 3_445
C8 Rb1 C7 22.7(4) 3_445 3_445
O1W Rb1 C3 109.6(7) . 3_445
O3 Rb1 C3 47.6(3) 3_445 3_445
O22 Rb1 C3 99.1(3) 3_546 3_445
O32 Rb1 C3 148.3(3) 4_556 3_445
O2 Rb1 C3 101.8(3) 4_454 3_445
O3W Rb1 C3 136.5(3) 4 3_445
C8 Rb1 C3 22.5(3) 3_445 3_445
C7 Rb1 C3 38.5(3) 3_445 3_445
O1W Rb1 Rb4 131.3(4) . 3_546
O3 Rb1 Rb4 38.75(19) 3_445 3_546
O22 Rb1 Rb4 40.74(17) 3_546 3_546
O32 Rb1 Rb4 65.9(2) 4_556 3_546
O2 Rb1 Rb4 141.34(19) 4_454 3_546
O3W Rb1 Rb4 88.4(2) 4 3_546
C8 Rb1 Rb4 95.2(3) 3_445 3_546
C7 Rb1 Rb4 117.9(3) 3_445 3_546
C3 Rb1 Rb4 85.80(19) 3_445 3_546
O1W Rb1 Rb4 115.9(5) . 4
O3 Rb1 Rb4 114.0(2) 3_445 4
O22 Rb1 Rb4 64.20(17) 3_546 4
O32 Rb1 Rb4 98.8(2) 4_556 4
O2 Rb1 Rb4 36.80(19) 4_454 4
O3W Rb1 Rb4 38.5(2) 4 4
C8 Rb1 Rb4 80.0(2) 3_445 4
C7 Rb1 Rb4 74.1(4) 3_445 4
C3 Rb1 Rb4 102.18(19) 3_445 4
Rb4 Rb1 Rb4 104.58(5) 3_546 4
O1W Rb1 Rb2 28.3(4) . .
O3 Rb1 Rb2 148.9(2) 3_445 .
O22 Rb1 Rb2 144.6(2) 3_546 .
O32 Rb1 Rb2 94.3(2) 4_556 .
O2 Rb1 Rb2 54.0(2) 4_454 .
O3W Rb1 Rb2 91.3(2) 4 .
C8 Rb1 Rb2 105.2(3) 3_445 .
C7 Rb1 Rb2 83.1(3) 3_445 .
C3 Rb1 Rb2 109.48(19) 3_445 .
Rb4 Rb1 Rb2 157.18(5) 3_546 .
Rb4 Rb1 Rb2 89.06(5) 4 .
O33 Rb2 O1 138.6(4) 1_556 4_454
O33 Rb2 O13 97.5(4) 1_556 .
O1 Rb2 O13 123.6(4) 4_454 .
O33 Rb2 O12 94.6(4) 1_556 .
O1 Rb2 O12 102.7(3) 4_454 .
O13 Rb2 O12 57.8(3) . .
O33 Rb2 O1W 64.0(5) 1_556 .
O1 Rb2 O1W 87.1(5) 4_454 .
O13 Rb2 O1W 122.7(7) . .
O12 Rb2 O1W 69.7(7) . .
O33 Rb2 O11 106.0(3) 1_556 4_454
O1 Rb2 O11 59.9(3) 4_454 4_454
O13 Rb2 O11 120.1(3) . 4_454
O12 Rb2 O11 159.3(3) . 4_454
O1W Rb2 O11 117.1(7) . 4_454
O33 Rb2 O2W 70.6(3) 1_556 .
O1 Rb2 O2W 122.9(3) 4_454 .
O13 Rb2 O2W 72.6(3) . .
O12 Rb2 O2W 126.0(3) . .
O1W Rb2 O2W 133.2(5) . .
O11 Rb2 O2W 65.3(3) 4_454 .
O33 Rb2 C12 92.9(3) 1_556 .
O1 Rb2 C12 124.6(3) 4_454 .
O13 Rb2 C12 17.3(3) . .
O12 Rb2 C12 41.3(3) . .
O1W Rb2 C12 105.7(7) . .
O11 Rb2 C12 137.2(3) 4_454 .
O2W Rb2 C12 86.6(3) . .
O33 Rb2 C11 92.3(3) 1_556 .
O1 Rb2 C11 114.2(3) 4_454 .
O13 Rb2 C11 41.7(3) . .
O12 Rb2 C11 16.7(3) . .
O1W Rb2 C11 83.2(7) . .
O11 Rb2 C11 157.0(3) 4_454 .
O2W Rb2 C11 109.7(3) . .
C12 Rb2 C11 24.7(2) . .
O33 Rb2 Pd1 128.9(3) 1_556 4_454
O1 Rb2 Pd1 29.5(2) 4_454 4_454
O13 Rb2 Pd1 124.8(2) . 4_454
O12 Rb2 Pd1 130.5(3) . 4_454
O1W Rb2 Pd1 105.6(5) . 4_454
O11 Rb2 Pd1 30.63(17) 4_454 4_454
O2W Rb2 Pd1 94.0(2) . 4_454
C12 Rb2 Pd1 135.79(19) . 4_454
C11 Rb2 Pd1 138.0(2) . 4_454
O33 Rb2 Rb3 99.4(3) 1_556 .
O1 Rb2 Rb3 115.8(2) 4_454 .
O13 Rb2 Rb3 37.90(18) . .
O12 Rb2 Rb3 95.5(2) . .
O1W Rb2 Rb3 155.6(5) . .
O11 Rb2 Rb3 83.7(2) 4_454 .
O2W Rb2 Rb3 41.4(2) . .
C12 Rb2 Rb3 55.06(17) . .
C11 Rb2 Rb3 79.58(19) . .
Pd1 Rb2 Rb3 98.76(5) 4_454 .
O33 Rb2 Rb1 92.3(2) 1_556 .
O1 Rb2 Rb1 59.6(2) 4_454 .
O13 Rb2 Rb1 128.41(19) . .
O12 Rb2 Rb1 71.0(2) . .
O1W Rb2 Rb1 29.0(4) . .
O11 Rb2 Rb1 105.10(19) 4_454 .
O2W Rb2 Rb1 155.6(2) . .
C12 Rb2 Rb1 112.26(18) . .
C11 Rb2 Rb1 87.60(19) . .
Pd1 Rb2 Rb1 83.23(4) 4_454 .
Rb3 Rb2 Rb1 162.93(5) . .
O13 Rb3 O23 169.4(3) . .
O13 Rb3 O3W 105.8(4) . .
O23 Rb3 O3W 79.7(3) . .
O13 Rb3 O2W 73.9(3) . .
O23 Rb3 O2W 116.5(3) . .
O3W Rb3 O2W 58.3(3) . .
O13 Rb3 C14 65.9(3) . .
O23 Rb3 C14 103.8(3) . .
O3W Rb3 C14 111.6(3) . .
O2W Rb3 C14 133.7(3) . .
O13 Rb3 C24 110.2(3) . .
O23 Rb3 C24 65.6(3) . .
O3W Rb3 C24 143.8(4) . .
O2W Rb3 C24 128.8(3) . .
C14 Rb3 C24 87.4(3) . .
O13 Rb3 C13 50.3(3) . .
O23 Rb3 C13 120.8(3) . .
O3W Rb3 C13 96.1(4) . .
O2W Rb3 C13 109.9(3) . .
C14 Rb3 C13 24.3(3) . .
C24 Rb3 C13 109.9(3) . .
O13 Rb3 C23 129.4(3) . .
O23 Rb3 C23 49.6(3) . .
O3W Rb3 C23 121.8(3) . .
O2W Rb3 C23 115.8(3) . .
C14 Rb3 C23 107.3(3) . .
C24 Rb3 C23 23.4(2) . .
C13 Rb3 C23 131.1(3) . .
O13 Rb3 C25 89.3(3) . .
O23 Rb3 C25 87.9(3) . .
O3W Rb3 C25 159.4(4) . .
O2W Rb3 C25 114.9(3) . .
C14 Rb3 C25 87.2(3) . .
C24 Rb3 C25 23.0(3) . .
C13 Rb3 C25 104.3(3) . .
C23 Rb3 C25 40.5(2) . .
O13 Rb3 C15 89.2(3) . .
O23 Rb3 C15 80.8(3) . .
O3W Rb3 C15 100.3(4) . .
O2W Rb3 C15 145.8(3) . .
C14 Rb3 C15 24.2(3) . .
C24 Rb3 C15 84.6(3) . .
C13 Rb3 C15 41.4(3) . .
C23 Rb3 C15 97.9(3) . .
C25 Rb3 C15 93.8(3) . .
O13 Rb3 C28 124.0(3) . .
O23 Rb3 C28 60.0(3) . .
O3W Rb3 C28 112.1(4) . .
O2W Rb3 C28 92.5(3) . .
C14 Rb3 C28 128.6(3) . .
C24 Rb3 C28 41.3(3) . .
C13 Rb3 C28 150.6(3) . .
C23 Rb3 C28 23.4(3) . .
C25 Rb3 C28 47.3(3) . .
C15 Rb3 C28 121.3(3) . .
O13 Rb3 C26 85.2(3) . .
O23 Rb3 C26 95.9(3) . .
O3W Rb3 C26 142.7(4) . .
O2W Rb3 C26 92.7(3) . .
C14 Rb3 C26 105.5(3) . .
C24 Rb3 C26 40.1(3) . .
C13 Rb3 C26 117.1(3) . .
C23 Rb3 C26 46.7(3) . .
C25 Rb3 C26 22.4(4) . .
C15 Rb3 C26 115.7(4) . .
C28 Rb3 C26 40.5(3) . .
O23 Rb4 O31 120.4(3) . 2_565
O23 Rb4 O3 105.9(3) . 1_454
O31 Rb4 O3 99.5(3) 2_565 1_454
O23 Rb4 O2 93.5(4) . 1_454
O31 Rb4 O2 145.1(4) 2_565 1_454
O3 Rb4 O2 60.2(3) 1_454 1_454
O23 Rb4 O21 133.9(3) . 2_565
O31 Rb4 O21 60.7(3) 2_565 2_565
O3 Rb4 O21 119.8(3) 1_454 2_565
O2 Rb4 O21 102.7(3) 1_454 2_565
O23 Rb4 O3W 79.9(3) . .
O31 Rb4 O3W 121.5(3) 2_565 .
O3 Rb4 O3W 128.9(4) 1_454 .
O2 Rb4 O3W 68.8(3) 1_454 .
O21 Rb4 O3W 66.9(3) 2_565 .
O23 Rb4 O22 59.2(3) . .
O31 Rb4 O22 81.7(3) 2_565 .
O3 Rb4 O22 70.0(4) 1_454 .
O2 Rb4 O22 112.7(3) 1_454 .
O21 Rb4 O22 141.8(3) 2_565 .
O3W Rb4 O22 139.1(3) . .
O23 Rb4 C22 18.1(3) . .
O31 Rb4 C22 115.0(3) 2_565 .
O3 Rb4 C22 90.7(3) 1_454 .
O2 Rb4 C22 94.6(3) 1_454 .
O21 Rb4 C22 149.4(3) 2_565 .
O3W Rb4 C22 97.1(3) . .
O22 Rb4 C22 42.6(3) . .
O23 Rb4 C1 93.1(3) . 1_454
O31 Rb4 C1 138.1(3) 2_565 1_454
O3 Rb4 C1 43.5(3) 1_454 1_454
O2 Rb4 C1 17.8(3) 1_454 1_454
O21 Rb4 C1 114.7(3) 2_565 1_454
O3W Rb4 C1 86.1(4) . 1_454
O22 Rb4 C1 97.3(3) . 1_454
C22 Rb4 C1 88.7(3) . 1_454
O23 Rb4 C2 99.9(3) . 1_454
O31 Rb4 C2 116.6(3) 2_565 1_454
O3 Rb4 C2 18.1(3) 1_454 1_454
O2 Rb4 C2 42.7(3) 1_454 1_454
O21 Rb4 C2 121.3(3) 2_565 1_454
O3W Rb4 C2 111.5(3) . 1_454
O22 Rb4 C2 79.9(3) . 1_454
C22 Rb4 C2 88.4(3) . 1_454
C1 Rb4 C2 25.5(3) 1_454 1_454
O23 Rb4 C21 42.5(3) . .
O31 Rb4 C21 97.8(3) 2_565 .
O3 Rb4 C21 75.3(3) 1_454 .
O2 Rb4 C21 103.0(3) 1_454 .
O21 Rb4 C21 154.2(3) 2_565 .
O3W Rb4 C21 122.1(3) . .
O22 Rb4 C21 18.1(3) . .
C22 Rb4 C21 25.0(2) . .
C1 Rb4 C21 90.8(3) 1_454 .
C2 Rb4 C21 79.9(3) 1_454 .
O23 Rb4 Pd2 127.6(3) . 2_565
O31 Rb4 Pd2 30.36(18) 2_565 2_565
O3 Rb4 Pd2 118.3(2) 1_454 2_565
O2 Rb4 Pd2 131.7(3) 1_454 2_565
O21 Rb4 Pd2 31.53(18) 2_565 2_565
O3W Rb4 Pd2 92.2(3) . 2_565
O22 Rb4 Pd2 110.3(2) . 2_565
C22 Rb4 Pd2 132.7(2) . 2_565
C1 Rb4 Pd2 138.3(2) 1_454 2_565
C2 Rb4 Pd2 130.4(2) 1_454 2_565
C21 Rb4 Pd2 124.0(2) . 2_565
Rb2 O1W Rb1 122.7(7) . .
Rb3 O2W Rb2 96.9(3) . .
Rb3 O3W Rb4 96.6(4) . .
Rb3 O3W Rb1 146.8(4) . 4_454
Rb4 O3W Rb1 94.8(4) . 4_454
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N1 2.012(11) .
Pd1 N11 2.020(11) .
Pd1 O1 2.020(10) .
Pd1 O11 2.035(9) .
Pd1 Rb2 3.907(2) 4
Pd2 O31 1.995(9) .
Pd2 N31 2.015(9) .
Pd2 N21 2.030(10) .
Pd2 O21 2.035(9) .
Pd2 Rb4 3.814(2) 2_564
C1 O2 1.199(18) .
C1 O1 1.311(17) .
C1 C2 1.559(17) .
C1 Rb4 3.522(13) 1_656
C2 O3 1.252(15) .
C2 N1 1.337(16) .
C2 Rb4 3.553(11) 1_656
O1 Rb2 2.789(9) 4
O2 Rb4 2.822(11) 1_656
O2 Rb1 3.071(12) 4
O3 Rb4 2.785(10) 1_656
O3 Rb1 2.957(10) 3
N1 C3 1.444(15) .
C3 C4 1.377(19) .
C3 C8 1.408(16) .
C3 Rb1 3.669(11) 3
C4 C5 1.381(19) .
C4 C10 1.51(2) .
C5 C6 1.41(3) .
C5 H5 0.9300 .
C6 C7 1.29(4) .
C6 H6 0.9300 .
C7 C8 1.38(2) .
C7 Rb1 3.541(16) 3
C7 H7 0.9800 .
C8 C9 1.49(3) .
C8 Rb1 3.469(15) 3
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 O12 1.220(16) .
C11 O11 1.273(16) .
C11 C12 1.555(15) .
C11 Rb2 3.634(12) .
C12 O13 1.246(15) .
C12 N11 1.330(15) .
C12 Rb2 3.629(11) .
O11 Rb2 2.940(9) 4
O12 Rb2 2.850(9) .
O13 Rb3 2.767(9) .
O13 Rb2 2.843(10) .
N11 C13 1.427(15) .
C13 C18 1.396(18) .
C13 C14 1.440(16) .
C13 Rb3 3.449(11) .
C14 C15 1.452(18) .
C14 C20 1.49(2) .
C14 Rb3 3.402(11) .
C15 C16 1.31(2) .
C15 Rb3 3.511(14) .
C15 H15 0.9800 .
C16 C17 1.42(2) .
C16 Rb3 3.637(16) .
C16 H16 0.9300 .
C17 C18 1.38(2) .
C17 Rb3 3.662(15) .
C17 H17 0.9300 .
C18 C19 1.511(17) .
C18 Rb3 3.569(13) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 O22 1.228(15) .
C21 O21 1.278(16) .
C21 C22 1.536(15) .
C21 Rb4 3.580(12) .
C22 O23 1.245(15) .
C22 N21 1.333(15) .
C22 Rb4 3.520(11) .
O21 Rb4 2.851(8) 2_564
O22 Rb4 2.883(9) .
O22 Rb1 2.978(11) 3_454
O23 Rb4 2.752(9) .
O23 Rb3 2.769(9) .
N21 C23 1.435(14) .
C23 C24 1.404(15) .
C23 C28 1.418(16) .
C23 Rb3 3.473(10) .
C24 C25 1.383(17) .
C24 C30 1.497(18) .
C24 Rb3 3.447(11) .
C25 C26 1.37(2) .
C25 Rb3 3.476(14) .
C25 H25 0.9800 .
C26 C27 1.43(2) .
C26 Rb3 3.556(15) .
C26 H26 0.9800 .
C27 C28 1.396(18) .
C27 Rb3 3.585(16) .
C27 H27 0.9300 .
C28 C29 1.495(17) .
C28 Rb3 3.517(13) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 O32 1.230(17) .
C31 O31 1.292(16) .
C31 C32 1.552(17) .
C32 O33 1.251(15) .
C32 N31 1.313(15) .
O31 Rb4 2.778(9) 2_564
O32 Rb1 3.027(12) 4_453
O33 Rb2 2.784(10) 1_554
N31 C33 1.452(14) .
C33 C38 1.409(17) .
C33 C34 1.410(17) .
C34 C35 1.420(19) .
C34 C40 1.468(19) .
C35 C36 1.32(3) .
C35 H35 0.9300 .
C36 C37 1.48(3) .
C36 H36 0.9300 .
C37 C38 1.35(2) .
C37 H37 0.9300 .
C38 C39 1.53(2) .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
Rb1 O1W 2.953(17) .
Rb1 O3 2.957(10) 3_445
Rb1 O22 2.978(11) 3_546
Rb1 O32 3.027(12) 4_556
Rb1 O2 3.071(12) 4_454
Rb1 O3W 3.357(14) 4
Rb1 C8 3.469(15) 3_445
Rb1 C7 3.541(16) 3_445
Rb1 C3 3.669(12) 3_445
Rb1 Rb4 4.386(3) 3_546
Rb1 Rb4 4.599(3) 4
Rb1 Rb2 5.127(3) .
Rb2 O33 2.784(10) 1_556
Rb2 O1 2.789(9) 4_454
Rb2 O1W 2.89(2) .
Rb2 O11 2.940(9) 4_454
Rb2 O2W 2.941(12) .
Rb2 Pd1 3.907(2) 4_454
Rb2 Rb3 4.390(3) .
Rb3 O3W 2.873(12) .
Rb3 O2W 2.926(11) .
Rb4 O31 2.778(9) 2_565
Rb4 O3 2.785(10) 1_454
Rb4 O2 2.822(11) 1_454
Rb4 O21 2.851(8) 2_565
Rb4 O3W 2.874(14) .
Rb4 C1 3.522(13) 1_454
Rb4 C2 3.553(11) 1_454
Rb4 Pd2 3.814(2) 2_565
O3W Rb1 3.357(14) 4_454
