#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:59:47 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180243 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/29/7112983.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_7112983
loop_
_publ_author_name
'Faust, Thomas B.'
'Heath, Paul G.'
'Muryn, Christopher A.'
'Timco, Grigore A.'
'Winpenny, Richard E. P.'
_publ_section_title
;
 Caesium ion sequestration by a fluoro-metallocrown [16]-MC-8.
;
_journal_issue                   34
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6258
_journal_page_last               6260
_journal_paper_doi               10.1039/c0cc01188f
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C80 H144 Co Cr7 F8 N0 O32 Rb'
_chemical_formula_weight         2278.35
_chemical_name_common            '[Rb@Cr7CoF8(piv)16]'
_chemical_name_systematic
;
?
;
_space_group_IT_number           75
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4'
_symmetry_space_group_name_H-M   'P 4'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.8632(3)
_cell_length_b                   19.8632(3)
_cell_length_c                   16.1639(7)
_cell_measurement_reflns_used    12319
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.4401
_cell_measurement_theta_min      3.0705
_cell_volume                     6377.4(3)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.34.9 (release 08-12-2009 CrysAlis171 .NET)
(compiled Dec 8 2009,17:31:18)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.34.9 (release 08-12-2009 CrysAlis171 .NET)
(compiled Dec 8 2009,17:31:18)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.34.9 (release 08-12-2009 CrysAlis171 .NET)
(compiled Dec 8 2009,17:31:18)
;
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.336
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction XCalibur 2'
_diffrn_measurement_method       'phi and omega'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0881
_diffrn_reflns_av_sigmaI/netI    0.0967
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            36433
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    1.149
_exptl_absorpt_correction_T_max  0.6565
_exptl_absorpt_correction_T_min  0.5002
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.697
_refine_diff_density_min         -1.160
_refine_diff_density_rms         0.163
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.11(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     584
_refine_ls_number_reflns         11626
_refine_ls_number_restraints     345
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.1315
_refine_ls_R_factor_gt           0.1058
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2757
_refine_ls_wR_factor_ref         0.2914
_reflns_number_gt                7592
_reflns_number_total             11626
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc01188f.txt
_cod_data_source_block           testp4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/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_original_sg_symbol_H-M      P4
_cod_database_code               7112983
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, 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 0.5000 0.5000 0.5702(9) 0.212(4) Uani 1 4 d S
Cr1 Cr 0.33752(11) 0.35190(11) 0.55401(17) 0.0610(8) Uani 0.88 1 d P
Cr2 Cr 0.48890(13) 0.28007(10) 0.57829(15) 0.0537(6) Uani 0.88 1 d P
Co1 Co 0.33752(11) 0.35190(11) 0.55401(17) 0.0610(8) Uani 0.13 1 d P
Co2 Co 0.48890(13) 0.28007(10) 0.57829(15) 0.0537(6) Uani 0.13 1 d P
F1 F 0.4310(4) 0.3535(3) 0.5386(5) 0.059(2) Uani 1 1 d .
F2 F 0.5574(4) 0.3463(4) 0.5972(5) 0.058(2) Uani 1 1 d .
O1 O 0.3303(6) 0.2627(5) 0.5106(8) 0.079(4) Uani 1 1 d .
O2 O 0.4194(5) 0.2105(5) 0.5530(8) 0.066(3) Uani 1 1 d .
O3 O 0.3474(6) 0.3177(6) 0.6685(9) 0.081(4) Uani 1 1 d .
O4 O 0.4552(6) 0.2920(5) 0.6923(6) 0.057(3) Uani 1 1 d .
O5 O 0.2077(6) 0.4526(7) 0.6101(9) 0.081(4) Uani 1 1 d .
O6 O 0.2400(5) 0.3500(6) 0.5659(11) 0.090(4) Uani 1 1 d .
O7 O 0.5221(5) 0.2663(5) 0.4606(7) 0.052(2) Uani 1 1 d .
O8 O 0.3238(5) 0.3859(5) 0.4417(8) 0.067(3) Uani 1 1 d .
Rb2 Rb 1.0000 0.0000 0.0536(4) 0.139(2) Uani 1 4 d S
Cr3 Cr 0.83148(9) 0.14082(9) 0.03753(14) 0.0432(5) Uani 0.88 1 d P
Cr4 Cr 0.98094(9) 0.21817(9) 0.06181(14) 0.0429(6) Uani 0.88 1 d P
Co3 Co 0.83148(9) 0.14082(9) 0.03753(14) 0.0432(5) Uani 0.13 1 d P
Co4 Co 0.98094(9) 0.21817(9) 0.06181(14) 0.0429(6) Uani 0.13 1 d P
F3 F 0.9238(3) 0.1440(3) 0.0797(5) 0.0425(17) Uani 1 1 d .
F4 F 1.0466(3) 0.1557(3) 0.0200(4) 0.0332(14) Uani 1 1 d .
O9 O 0.8150(4) 0.2394(4) 0.0594(8) 0.056(3) Uani 1 1 d .
O10 O 0.9135(6) 0.2805(5) 0.1053(8) 0.068(3) Uani 1 1 d .
O11 O 0.8637(5) 0.1600(5) -0.0768(6) 0.054(3) Uani 1 1 d .
O12 O 0.9488(5) 0.2304(5) -0.0495(7) 0.059(3) Uani 1 1 d .
O13 O 1.0383(4) 0.2976(4) 0.0476(8) 0.062(3) Uani 1 1 d .
O14 O 0.7407(4) 0.1384(5) -0.0046(8) 0.063(3) Uani 1 1 d .
O15 O 1.0140(5) 0.2078(5) 0.1769(7) 0.056(3) Uani 1 1 d .
O16 O 0.7989(4) 0.1278(5) 0.1503(6) 0.051(2) Uani 1 1 d .
C1 C 0.3618(9) 0.2125(8) 0.5203(10) 0.078(2) Uani 1 1 d DU
C2 C 0.3339(7) 0.1462(8) 0.4969(8) 0.078(2) Uani 1 1 d DU
C3 C 0.2678(8) 0.1496(8) 0.4491(10) 0.079(2) Uani 1 1 d DU
H3A H 0.2752 0.1723 0.3961 0.118 Uiso 1 1 calc R
H3B H 0.2344 0.1747 0.4814 0.118 Uiso 1 1 calc R
H3C H 0.2512 0.1038 0.4390 0.118 Uiso 1 1 calc R
C4 C 0.3214(8) 0.1030(7) 0.5756(11) 0.079(2) Uani 1 1 d DU
H4A H 0.2750 0.0862 0.5751 0.118 Uiso 1 1 calc R
H4B H 0.3285 0.1307 0.6250 0.118 Uiso 1 1 calc R
H4C H 0.3527 0.0649 0.5762 0.118 Uiso 1 1 calc R
C5 C 0.3828(8) 0.1049(7) 0.4422(10) 0.079(2) Uani 1 1 d DU
H5A H 0.4088 0.1355 0.4070 0.118 Uiso 1 1 calc R
H5B H 0.3569 0.0738 0.4073 0.118 Uiso 1 1 calc R
H5C H 0.4135 0.0791 0.4775 0.118 Uiso 1 1 calc R
C6 C 0.4008(13) 0.2975(16) 0.7155(14) 0.174(5) Uani 1 1 d DU
C7 C 0.3827(9) 0.3090(13) 0.8028(14) 0.174(5) Uani 1 1 d DU
C8 C 0.4356(12) 0.2844(15) 0.8595(12) 0.175(5) Uani 1 1 d DU
H8A H 0.4537 0.2417 0.8387 0.262 Uiso 1 1 calc R
H8B H 0.4163 0.2774 0.9147 0.262 Uiso 1 1 calc R
H8C H 0.4719 0.3177 0.8628 0.262 Uiso 1 1 calc R
C9 C 0.3175(12) 0.2696(16) 0.8179(12) 0.174(5) Uani 1 1 d DU
H9A H 0.2803 0.2916 0.7888 0.261 Uiso 1 1 calc R
H9B H 0.3079 0.2685 0.8774 0.261 Uiso 1 1 calc R
H9C H 0.3227 0.2235 0.7973 0.261 Uiso 1 1 calc R
C10 C 0.3685(13) 0.3823(16) 0.8171(13) 0.175(5) Uani 1 1 d DU
H10A H 0.4097 0.4084 0.8081 0.262 Uiso 1 1 calc R
H10B H 0.3529 0.3888 0.8741 0.262 Uiso 1 1 calc R
H10C H 0.3336 0.3974 0.7785 0.262 Uiso 1 1 calc R
C11 C 0.2020(11) 0.3909(12) 0.5998(14) 0.119(4) Uani 1 1 d DU
C12 C 0.1278(10) 0.3601(9) 0.6168(10) 0.119(4) Uani 1 1 d DU
C13 C 0.0970(9) 0.3441(11) 0.5260(13) 0.120(4) Uani 1 1 d DU
H13A H 0.1331 0.3457 0.4847 0.180 Uiso 1 1 calc R
H13B H 0.0627 0.3777 0.5122 0.180 Uiso 1 1 calc R
H13C H 0.0766 0.2991 0.5261 0.180 Uiso 1 1 calc R
C14 C 0.0861(10) 0.4146(12) 0.6680(14) 0.119(4) Uani 1 1 d DU
H14A H 0.1053 0.4189 0.7236 0.179 Uiso 1 1 calc R
H14B H 0.0391 0.4003 0.6722 0.179 Uiso 1 1 calc R
H14C H 0.0884 0.4582 0.6397 0.179 Uiso 1 1 calc R
C15 C 0.1395(11) 0.2921(10) 0.6695(14) 0.120(4) Uani 1 1 d DU
H15A H 0.1657 0.2601 0.6366 0.180 Uiso 1 1 calc R
H15B H 0.0959 0.2722 0.6836 0.180 Uiso 1 1 calc R
H15C H 0.1641 0.3029 0.7204 0.180 Uiso 1 1 calc R
C16 C 0.5621(7) 0.2932(9) 0.4180(15) 0.088(3) Uani 1 1 d DU
C17 C 0.5530(6) 0.2812(7) 0.3290(14) 0.088(3) Uani 1 1 d DU
C18 C 0.4885(7) 0.3100(8) 0.2948(12) 0.089(3) Uani 1 1 d DU
H18A H 0.4954 0.3574 0.2804 0.134 Uiso 1 1 calc R
H18B H 0.4529 0.3065 0.3366 0.134 Uiso 1 1 calc R
H18C H 0.4753 0.2849 0.2453 0.134 Uiso 1 1 calc R
C19 C 0.5498(7) 0.2044(7) 0.3120(14) 0.089(3) Uani 1 1 d DU
H19A H 0.5515 0.1963 0.2522 0.134 Uiso 1 1 calc R
H19B H 0.5078 0.1861 0.3344 0.134 Uiso 1 1 calc R
H19C H 0.5882 0.1822 0.3386 0.134 Uiso 1 1 calc R
C20 C 0.6092(7) 0.3078(8) 0.2769(11) 0.089(3) Uani 1 1 d DU
H20A H 0.6025 0.2939 0.2194 0.134 Uiso 1 1 calc R
H20B H 0.6521 0.2899 0.2972 0.134 Uiso 1 1 calc R
H20C H 0.6098 0.3571 0.2802 0.134 Uiso 1 1 calc R
C21 C 0.8472(7) 0.2855(9) 0.0935(10) 0.076(2) Uani 1 1 d DU
C22 C 0.8132(6) 0.3383(8) 0.1201(8) 0.076(2) Uani 1 1 d DU
C23 C 0.7378(6) 0.3369(9) 0.0994(10) 0.076(2) Uani 1 1 d DU
H23A H 0.7318 0.3245 0.0411 0.114 Uiso 1 1 calc R
H23B H 0.7184 0.3816 0.1091 0.114 Uiso 1 1 calc R
H23C H 0.7151 0.3038 0.1346 0.114 Uiso 1 1 calc R
C24 C 0.8409(8) 0.4036(7) 0.0870(11) 0.077(2) Uani 1 1 d DU
H24A H 0.8875 0.4092 0.1056 0.115 Uiso 1 1 calc R
H24B H 0.8136 0.4412 0.1075 0.115 Uiso 1 1 calc R
H24C H 0.8395 0.4029 0.0264 0.115 Uiso 1 1 calc R
C25 C 0.8169(8) 0.3419(8) 0.2153(8) 0.077(2) Uani 1 1 d DU
H25A H 0.7979 0.3007 0.2390 0.115 Uiso 1 1 calc R
H25B H 0.7912 0.3809 0.2348 0.115 Uiso 1 1 calc R
H25C H 0.8640 0.3464 0.2326 0.115 Uiso 1 1 calc R
C26 C 0.9142(12) 0.1931(11) -0.0976(15) 0.112(3) Uani 1 1 d DU
C27 C 0.9129(8) 0.2231(9) -0.1873(16) 0.112(3) Uani 1 1 d DU
C28 C 0.8757(11) 0.1825(11) -0.2526(11) 0.112(3) Uani 1 1 d DU
H28A H 0.8463 0.1496 -0.2255 0.169 Uiso 1 1 calc R
H28B H 0.9083 0.1589 -0.2877 0.169 Uiso 1 1 calc R
H28C H 0.8484 0.2128 -0.2867 0.169 Uiso 1 1 calc R
C29 C 0.9828(10) 0.2422(11) -0.2219(12) 0.113(3) Uani 1 1 d DU
H29A H 0.9974 0.2850 -0.1975 0.170 Uiso 1 1 calc R
H29B H 0.9800 0.2469 -0.2821 0.170 Uiso 1 1 calc R
H29C H 1.0153 0.2069 -0.2080 0.170 Uiso 1 1 calc R
C30 C 0.8751(11) 0.2938(10) -0.1831(13) 0.114(3) Uani 1 1 d DU
H30A H 0.8270 0.2870 -0.1935 0.170 Uiso 1 1 calc R
H30B H 0.8938 0.3241 -0.2251 0.170 Uiso 1 1 calc R
H30C H 0.8813 0.3136 -0.1281 0.170 Uiso 1 1 calc R
C31 C 0.6930(8) 0.0958(8) 0.0116(14) 0.108(3) Uani 1 1 d DU
C32 C 0.6219(8) 0.1197(7) -0.0015(11) 0.108(3) Uani 1 1 d DU
C33 C 0.5756(6) 0.0653(8) 0.0205(14) 0.109(4) Uani 1 1 d DU
H33A H 0.5903 0.0234 -0.0059 0.163 Uiso 1 1 calc R
H33B H 0.5301 0.0767 0.0015 0.163 Uiso 1 1 calc R
H33C H 0.5753 0.0595 0.0807 0.163 Uiso 1 1 calc R
C34 C 0.6118(8) 0.1389(9) -0.0874(12) 0.110(4) Uani 1 1 d DU
H34A H 0.6069 0.1879 -0.0911 0.165 Uiso 1 1 calc R
H34B H 0.5711 0.1171 -0.1087 0.165 Uiso 1 1 calc R
H34C H 0.6508 0.1247 -0.1203 0.165 Uiso 1 1 calc R
C35 C 0.6070(7) 0.1777(8) 0.0508(14) 0.109(4) Uani 1 1 d DU
H35A H 0.5818 0.1628 0.0997 0.164 Uiso 1 1 calc R
H35B H 0.5800 0.2102 0.0196 0.164 Uiso 1 1 calc R
H35C H 0.6492 0.1989 0.0684 0.164 Uiso 1 1 calc R
C36 C 1.0703(11) 0.2050(12) 0.1935(12) 0.122(4) Uani 1 1 d DU
C37 C 1.0920(8) 0.2007(9) 0.2907(12) 0.122(4) Uani 1 1 d DU
C38 C 1.1553(10) 0.2527(12) 0.3022(11) 0.122(4) Uani 1 1 d DU
H38A H 1.1746 0.2632 0.2479 0.183 Uiso 1 1 calc R
H38B H 1.1898 0.2318 0.3371 0.183 Uiso 1 1 calc R
H38C H 1.1395 0.2943 0.3284 0.183 Uiso 1 1 calc R
C39 C 1.1168(11) 0.1223(12) 0.3064(10) 0.122(4) Uani 1 1 d DU
H39A H 1.0868 0.0914 0.2769 0.184 Uiso 1 1 calc R
H39B H 1.1154 0.1123 0.3658 0.184 Uiso 1 1 calc R
H39C H 1.1629 0.1167 0.2860 0.184 Uiso 1 1 calc R
C40 C 1.0274(11) 0.2213(12) 0.3448(10) 0.122(4) Uani 1 1 d DU
H40A H 1.0189 0.2696 0.3387 0.184 Uiso 1 1 calc R
H40B H 1.0359 0.2109 0.4032 0.184 Uiso 1 1 calc R
H40C H 0.9881 0.1959 0.3256 0.184 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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
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
F1 Rb1 F1 88.58(9) 3_655 .
F1 Rb1 F1 88.59(9) 3_655 2_665
F1 Rb1 F1 161.9(6) . 2_665
F1 Rb1 F1 161.9(6) 3_655 4_565
F1 Rb1 F1 88.59(9) . 4_565
F1 Rb1 F1 88.59(9) 2_665 4_565
F1 Rb1 F2 47.2(2) 3_655 .
F1 Rb1 F2 48.49(19) . .
F1 Rb1 F2 134.8(2) 2_665 .
F1 Rb1 F2 136.2(2) 4_565 .
F1 Rb1 F2 48.49(19) 3_655 3_655
F1 Rb1 F2 136.2(2) . 3_655
F1 Rb1 F2 47.2(2) 2_665 3_655
F1 Rb1 F2 134.8(2) 4_565 3_655
F2 Rb1 F2 88.99(7) . 3_655
F1 Rb1 F2 136.2(2) 3_655 2_665
F1 Rb1 F2 134.8(2) . 2_665
F1 Rb1 F2 48.49(19) 2_665 2_665
F1 Rb1 F2 47.2(2) 4_565 2_665
F2 Rb1 F2 164.7(6) . 2_665
F2 Rb1 F2 88.99(7) 3_655 2_665
F1 Rb1 F2 134.8(2) 3_655 4_565
F1 Rb1 F2 47.2(2) . 4_565
F1 Rb1 F2 136.2(2) 2_665 4_565
F1 Rb1 F2 48.49(19) 4_565 4_565
F2 Rb1 F2 88.99(7) . 4_565
F2 Rb1 F2 164.7(6) 3_655 4_565
F2 Rb1 F2 88.99(7) 2_665 4_565
F1 Cr1 O1 92.3(5) . .
F1 Cr1 F2 86.8(3) . 4_565
O1 Cr1 F2 179.0(5) . 4_565
F1 Cr1 O6 178.0(6) . .
O1 Cr1 O6 86.8(6) . .
F2 Cr1 O6 94.1(5) 4_565 .
F1 Cr1 O8 90.5(4) . .
O1 Cr1 O8 88.2(5) . .
F2 Cr1 O8 91.5(4) 4_565 .
O6 Cr1 O8 87.7(6) . .
F1 Cr1 O3 91.9(4) . .
O1 Cr1 O3 91.9(5) . .
F2 Cr1 O3 88.4(5) 4_565 .
O6 Cr1 O3 90.0(6) . .
O8 Cr1 O3 177.7(5) . .
F2 Cr2 O5 92.4(4) . 3_655
F2 Cr2 F1 87.6(3) . .
O5 Cr2 F1 176.4(5) 3_655 .
F2 Cr2 O4 90.5(4) . .
O5 Cr2 O4 92.6(5) 3_655 .
F1 Cr2 O4 91.0(4) . .
F2 Cr2 O2 177.2(5) . .
O5 Cr2 O2 87.4(5) 3_655 .
F1 Cr2 O2 92.4(4) . .
O4 Cr2 O2 92.2(5) . .
F2 Cr2 O7 90.7(4) . .
O5 Cr2 O7 87.4(5) 3_655 .
F1 Cr2 O7 89.1(4) . .
O4 Cr2 O7 178.8(4) . .
O2 Cr2 O7 86.5(5) . .
Cr1 F1 Cr2 121.6(4) . .
Cr1 F1 Rb1 114.2(3) . .
Cr2 F1 Rb1 111.4(3) . .
Cr2 F2 Co1 122.7(4) . 3_655
Cr2 F2 Cr1 122.7(4) . 3_655
Co1 F2 Cr1 0.00(18) 3_655 3_655
Cr2 F2 Rb1 111.7(3) . .
Co1 F2 Rb1 111.0(4) 3_655 .
Cr1 F2 Rb1 111.0(4) 3_655 .
C1 O1 Cr1 133.7(11) . .
C1 O2 Cr2 133.8(10) . .
C6 O3 Cr1 134.2(13) . .
C6 O4 Cr2 129.4(14) . .
C11 O5 Co2 129.1(15) . 4_565
C11 O5 Cr2 129.1(15) . 4_565
Co2 O5 Cr2 0.00(19) 4_565 4_565
C11 O6 Cr1 129.7(14) . .
C16 O7 Cr2 134.7(12) . .
C16 O8 Cr1 129.2(15) 4_565 .
F3 Rb2 F3 89.04(5) . 4_665
F3 Rb2 F3 165.1(4) . 2_755
F3 Rb2 F3 89.04(5) 4_665 2_755
F3 Rb2 F3 89.04(5) . 3_645
F3 Rb2 F3 165.1(4) 4_665 3_645
F3 Rb2 F3 89.04(5) 2_755 3_645
F3 Rb2 F4 135.02(16) . 4_665
F3 Rb2 F4 47.51(15) 4_665 4_665
F3 Rb2 F4 48.36(17) 2_755 4_665
F3 Rb2 F4 135.92(16) 3_645 4_665
F3 Rb2 F4 135.92(16) . 2_755
F3 Rb2 F4 135.02(16) 4_665 2_755
F3 Rb2 F4 47.51(15) 2_755 2_755
F3 Rb2 F4 48.36(17) 3_645 2_755
F4 Rb2 F4 88.42(6) 4_665 2_755
F3 Rb2 F4 48.36(17) . 3_645
F3 Rb2 F4 135.92(16) 4_665 3_645
F3 Rb2 F4 135.02(16) 2_755 3_645
F3 Rb2 F4 47.51(15) 3_645 3_645
F4 Rb2 F4 160.9(3) 4_665 3_645
F4 Rb2 F4 88.42(6) 2_755 3_645
F3 Rb2 F4 47.51(15) . .
F3 Rb2 F4 48.36(17) 4_665 .
F3 Rb2 F4 135.92(16) 2_755 .
F3 Rb2 F4 135.02(16) 3_645 .
F4 Rb2 F4 88.42(6) 4_665 .
F4 Rb2 F4 160.9(3) 2_755 .
F4 Rb2 F4 88.42(6) 3_645 .
F4 Cr3 O14 92.8(4) 3_645 .
F4 Cr3 O16 93.0(4) 3_645 .
O14 Cr3 O16 91.0(4) . .
F4 Cr3 F3 87.6(3) 3_645 .
O14 Cr3 F3 179.5(4) . .
O16 Cr3 F3 89.4(4) . .
F4 Cr3 O11 90.4(4) 3_645 .
O14 Cr3 O11 88.7(4) . .
O16 Cr3 O11 176.6(4) . .
F3 Cr3 O11 90.9(4) . .
F4 Cr3 O9 177.7(4) 3_645 .
O14 Cr3 O9 86.2(4) . .
O16 Cr3 O9 84.9(4) . .
F3 Cr3 O9 93.5(3) . .
O11 Cr3 O9 91.7(4) . .
F3 Cr4 F4 87.6(3) . .
F3 Cr4 O12 92.4(4) . .
F4 Cr4 O12 88.7(3) . .
F3 Cr4 O10 91.6(4) . .
F4 Cr4 O10 179.1(4) . .
O12 Cr4 O10 91.7(5) . .
F3 Cr4 O13 177.3(4) . .
F4 Cr4 O13 94.8(3) . .
O12 Cr4 O13 88.9(5) . .
O10 Cr4 O13 86.0(4) . .
F3 Cr4 O15 88.5(4) . .
F4 Cr4 O15 92.2(3) . .
O12 Cr4 O15 178.7(4) . .
O10 Cr4 O15 87.5(5) . .
O13 Cr4 O15 90.1(5) . .
Cr4 F3 Cr3 122.4(4) . .
Cr4 F3 Rb2 112.7(3) . .
Cr3 F3 Rb2 111.2(3) . .
Co3 F4 Cr3 0.00(17) 4_665 4_665
Co3 F4 Cr4 121.7(3) 4_665 .
Cr3 F4 Cr4 121.7(3) 4_665 .
Co3 F4 Rb2 112.2(2) 4_665 .
Cr3 F4 Rb2 112.2(2) 4_665 .
Cr4 F4 Rb2 111.1(3) . .
C21 O9 Cr3 135.1(9) . .
C21 O10 Cr4 132.2(11) . .
C26 O11 Cr3 127.6(13) . .
C26 O12 Cr4 132.5(14) . .
C31 O13 Cr4 133.0(9) 4_665 .
C31 O14 Cr3 128.9(11) . .
C36 O15 Cr4 123.0(12) . .
C36 O16 Cr3 128.2(11) 3_645 .
O1 C1 O2 124.0(15) . .
O1 C1 C2 121.1(14) . .
O2 C1 C2 114.8(13) . .
C1 C2 C3 114.4(11) . .
C1 C2 C5 112.5(11) . .
C3 C2 C5 105.8(11) . .
C1 C2 C4 110.1(10) . .
C3 C2 C4 107.5(11) . .
C5 C2 C4 106.0(10) . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C5 H5A 109.5 . .
C2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O4 C6 O3 125(2) . .
O4 C6 C7 123.8(18) . .
O3 C6 C7 107.3(18) . .
C6 C7 C8 111.7(15) . .
C6 C7 C10 110.1(14) . .
C8 C7 C10 111.0(14) . .
C6 C7 C9 106.2(13) . .
C8 C7 C9 109.5(14) . .
C10 C7 C9 108.2(14) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O6 C11 O5 131(2) . .
O6 C11 C12 112.5(16) . .
O5 C11 C12 115.6(17) . .
C14 C12 C15 111.6(11) . .
C14 C12 C11 107.7(12) . .
C15 C12 C11 105.9(11) . .
C14 C12 C13 114.1(11) . .
C15 C12 C13 111.6(11) . .
C11 C12 C13 105.3(11) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O7 C16 O8 127(2) . 3_655
O7 C16 C17 114.5(14) . .
O8 C16 C17 118.5(17) 3_655 .
C16 C17 C20 113.7(12) . .
C16 C17 C18 113.7(12) . .
C20 C17 C18 107.1(13) . .
C16 C17 C19 109.8(13) . .
C20 C17 C19 106.2(12) . .
C18 C17 C19 105.9(11) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O9 C21 C22 117.8(12) . .
O9 C21 O10 121.1(15) . .
C22 C21 O10 121.1(15) . .
C21 C22 C24 112.5(11) . .
C21 C22 C23 114.4(12) . .
C24 C22 C23 107.1(10) . .
C21 C22 C25 109.8(11) . .
C24 C22 C25 107.3(12) . .
C23 C22 C25 105.4(10) . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C22 C25 H25A 109.5 . .
C22 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C22 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O11 C26 O12 125(2) . .
O11 C26 C27 115.9(17) . .
O12 C26 C27 110.5(17) . .
C28 C27 C29 108.5(15) . .
C28 C27 C26 116.6(14) . .
C29 C27 C26 114.5(14) . .
C28 C27 C30 105.5(15) . .
C29 C27 C30 102.9(14) . .
C26 C27 C30 107.7(13) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O13 C31 O14 124.1(14) 3_645 .
O13 C31 C32 118.5(13) 3_645 .
O14 C31 C32 116.8(12) . .
C34 C32 C35 108.6(11) . .
C34 C32 C33 109.9(12) . .
C35 C32 C33 108.3(11) . .
C34 C32 C31 110.2(11) . .
C35 C32 C31 111.0(12) . .
C33 C32 C31 108.9(10) . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C32 C34 H34A 109.5 . .
C32 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C32 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C32 C35 H35A 109.5 . .
C32 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C32 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O15 C36 O16 135.2(18) . 4_665
O15 C36 C37 118.9(15) . .
O16 C36 C37 105.9(15) 4_665 .
C40 C37 C36 107.5(12) . .
C40 C37 C38 113.0(11) . .
C36 C37 C38 106.2(11) . .
C40 C37 C39 113.2(11) . .
C36 C37 C39 106.0(11) . .
C38 C37 C39 110.4(11) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C37 C40 H40A 109.5 . .
C37 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C37 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rb1 F1 3.258(7) 3_655
Rb1 F1 3.258(7) .
Rb1 F1 3.258(7) 2_665
Rb1 F1 3.258(7) 4_565
Rb1 F2 3.288(7) .
Rb1 F2 3.288(7) 3_655
Rb1 F2 3.288(7) 2_665
Rb1 F2 3.288(7) 4_565
Cr1 F1 1.874(8) .
Cr1 O1 1.911(12) .
Cr1 F2 1.940(9) 4_565
Cr1 O6 1.946(11) .
Cr1 O8 1.956(12) .
Cr1 O3 1.981(13) .
Cr2 F2 1.918(9) .
Cr2 O5 1.919(12) 3_655
Cr2 F1 1.965(7) .
Cr2 O4 1.976(10) .
Cr2 O2 1.996(10) .
Cr2 O7 2.032(11) .
F2 Co1 1.940(9) 3_655
F2 Cr1 1.940(9) 3_655
O1 C1 1.19(2) .
O2 C1 1.260(19) .
O3 C6 1.37(3) .
O4 C6 1.15(3) .
O5 C11 1.24(3) .
O5 Co2 1.919(12) 4_565
O5 Cr2 1.919(12) 4_565
O6 C11 1.24(3) .
O7 C16 1.18(2) .
O8 C16 1.258(18) 4_565
Rb2 F3 3.263(7) .
Rb2 F3 3.263(7) 4_665
Rb2 F3 3.263(7) 2_755
Rb2 F3 3.263(7) 3_645
Rb2 F4 3.273(6) 4_665
Rb2 F4 3.273(6) 2_755
Rb2 F4 3.273(6) 3_645
Rb2 F4 3.274(6) .
Cr3 F4 1.911(6) 3_645
Cr3 O14 1.929(9) .
Cr3 O16 1.952(9) .
Cr3 F3 1.957(7) .
Cr3 O11 1.993(10) .
Cr3 O9 2.016(8) .
Cr4 F3 1.883(7) .
Cr4 F4 1.923(6) .
Cr4 O12 1.925(13) .
Cr4 O10 1.955(11) .
Cr4 O13 1.960(8) .
Cr4 O15 1.984(12) .
F4 Co3 1.911(6) 4_665
F4 Cr3 1.911(6) 4_665
O9 C21 1.25(2) .
O10 C21 1.335(19) .
O11 C26 1.24(2) .
O12 C26 1.27(2) .
O13 C31 1.295(18) 4_665
O14 C31 1.298(18) .
O15 C36 1.15(2) .
O16 C36 1.34(2) 3_645
C1 C2 1.48(2) .
C2 C3 1.527(16) .
C2 C5 1.549(16) .
C2 C4 1.553(16) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.47(3) .
C7 C8 1.48(2) .
C7 C10 1.50(2) .
C7 C9 1.53(2) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.62(3) .
C12 C14 1.594(19) .
C12 C15 1.614(19) .
C12 C13 1.622(19) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 O8 1.258(18) 3_655
C16 C17 1.47(3) .
C17 C20 1.495(17) .
C17 C18 1.508(16) .
C17 C19 1.552(16) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.32(2) .
C22 C24 1.507(15) .
C22 C23 1.535(15) .
C22 C25 1.542(16) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 C27 1.57(4) .
C27 C28 1.52(2) .
C27 C29 1.54(2) .
C27 C30 1.59(2) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 O13 1.295(18) 3_645
C31 C32 1.50(2) .
C32 C34 1.454(17) .
C32 C35 1.459(17) .
C32 C33 1.462(16) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 O16 1.34(2) 4_665
C36 C37 1.63(3) .
C37 C40 1.605(19) .
C37 C38 1.638(19) .
C37 C39 1.653(19) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 Cr1 F1 Cr2 -50.2(6) . .
F2 Cr1 F1 Cr2 130.1(5) 4_565 .
O6 Cr1 F1 Cr2 -114(12) . .
O8 Cr1 F1 Cr2 -138.4(6) . .
O3 Cr1 F1 Cr2 41.8(6) . .
O1 Cr1 F1 Rb1 171.4(5) . .
F2 Cr1 F1 Rb1 -8.3(4) 4_565 .
O6 Cr1 F1 Rb1 108(12) . .
O8 Cr1 F1 Rb1 83.2(5) . .
O3 Cr1 F1 Rb1 -96.6(5) . .
F2 Cr2 F1 Cr1 -147.2(5) . .
O5 Cr2 F1 Cr1 123(7) 3_655 .
O4 Cr2 F1 Cr1 -56.7(6) . .
O2 Cr2 F1 Cr1 35.6(6) . .
O7 Cr2 F1 Cr1 122.1(6) . .
F2 Cr2 F1 Rb1 -7.7(4) . .
O5 Cr2 F1 Rb1 -98(7) 3_655 .
O4 Cr2 F1 Rb1 82.8(5) . .
O2 Cr2 F1 Rb1 175.1(5) . .
O7 Cr2 F1 Rb1 -98.5(4) . .
F1 Rb1 F1 Cr1 176.2(3) 3_655 .
F1 Rb1 F1 Cr1 -102.7(4) 2_665 .
F1 Rb1 F1 Cr1 -21.6(6) 4_565 .
F2 Rb1 F1 Cr1 148.6(5) . .
F2 Rb1 F1 Cr1 165.7(6) 3_655 .
F2 Rb1 F1 Cr1 -10.9(8) 2_665 .
F2 Rb1 F1 Cr1 6.6(4) 4_565 .
F1 Rb1 F1 Cr2 33.6(6) 3_655 .
F1 Rb1 F1 Cr2 114.7(4) 2_665 .
F1 Rb1 F1 Cr2 -164.2(3) 4_565 .
F2 Rb1 F1 Cr2 6.0(4) . .
F2 Rb1 F1 Cr2 23.1(9) 3_655 .
F2 Rb1 F1 Cr2 -153.5(6) 2_665 .
F2 Rb1 F1 Cr2 -136.0(5) 4_565 .
O5 Cr2 F2 Co1 48.6(7) 3_655 3_655
F1 Cr2 F2 Co1 -127.8(5) . 3_655
O4 Cr2 F2 Co1 141.2(5) . 3_655
O2 Cr2 F2 Co1 -37(9) . 3_655
O7 Cr2 F2 Co1 -38.7(5) . 3_655
O5 Cr2 F2 Cr1 48.6(7) 3_655 3_655
F1 Cr2 F2 Cr1 -127.8(5) . 3_655
O4 Cr2 F2 Cr1 141.2(5) . 3_655
O2 Cr2 F2 Cr1 -37(9) . 3_655
O7 Cr2 F2 Cr1 -38.7(5) . 3_655
O5 Cr2 F2 Rb1 -175.9(6) 3_655 .
F1 Cr2 F2 Rb1 7.7(5) . .
O4 Cr2 F2 Rb1 -83.3(5) . .
O2 Cr2 F2 Rb1 98(8) . .
O7 Cr2 F2 Rb1 96.7(5) . .
F1 Rb1 F2 Cr2 -147.0(5) 3_655 .
F1 Rb1 F2 Cr2 -6.2(4) . .
F1 Rb1 F2 Cr2 -161.7(6) 2_665 .
F1 Rb1 F2 Cr2 8.0(9) 4_565 .
F2 Rb1 F2 Cr2 -174.5(3) 3_655 .
F2 Rb1 F2 Cr2 103.1(4) 2_665 .
F2 Rb1 F2 Cr2 20.7(6) 4_565 .
F1 Rb1 F2 Co1 -6.2(3) 3_655 3_655
F1 Rb1 F2 Co1 134.6(5) . 3_655
F1 Rb1 F2 Co1 -20.9(8) 2_665 3_655
F1 Rb1 F2 Co1 148.7(6) 4_565 3_655
F2 Rb1 F2 Co1 -33.7(5) 3_655 3_655
F2 Rb1 F2 Co1 -116.1(3) 2_665 3_655
F2 Rb1 F2 Co1 161.4(3) 4_565 3_655
F1 Rb1 F2 Cr1 -6.2(3) 3_655 3_655
F1 Rb1 F2 Cr1 134.6(5) . 3_655
F1 Rb1 F2 Cr1 -20.9(8) 2_665 3_655
F1 Rb1 F2 Cr1 148.7(6) 4_565 3_655
F2 Rb1 F2 Cr1 -33.7(5) 3_655 3_655
F2 Rb1 F2 Cr1 -116.1(3) 2_665 3_655
F2 Rb1 F2 Cr1 161.4(3) 4_565 3_655
F1 Cr1 O1 C1 44.3(18) . .
F2 Cr1 O1 C1 63(28) 4_565 .
O6 Cr1 O1 C1 -137.6(18) . .
O8 Cr1 O1 C1 134.6(18) . .
O3 Cr1 O1 C1 -47.7(18) . .
F2 Cr2 O2 C1 -87(8) . .
O5 Cr2 O2 C1 -173.3(17) 3_655 .
F1 Cr2 O2 C1 3.1(17) . .
O4 Cr2 O2 C1 94.2(17) . .
O7 Cr2 O2 C1 -85.8(17) . .
F1 Cr1 O3 C6 -5(2) . .
O1 Cr1 O3 C6 87(2) . .
F2 Cr1 O3 C6 -92(2) 4_565 .
O6 Cr1 O3 C6 174(2) . .
O8 Cr1 O3 C6 180(100) . .
F2 Cr2 O4 C6 135(2) . .
O5 Cr2 O4 C6 -133(2) 3_655 .
F1 Cr2 O4 C6 47(2) . .
O2 Cr2 O4 C6 -45(2) . .
O7 Cr2 O4 C6 -47(21) . .
F1 Cr1 O6 C11 -124(12) . .
O1 Cr1 O6 C11 172(2) . .
F2 Cr1 O6 C11 -8(2) 4_565 .
O8 Cr1 O6 C11 -99(2) . .
O3 Cr1 O6 C11 80(2) . .
F2 Cr2 O7 C16 -7.4(15) . .
O5 Cr2 O7 C16 -99.7(16) 3_655 .
F1 Cr2 O7 C16 80.3(15) . .
O4 Cr2 O7 C16 174(100) . .
O2 Cr2 O7 C16 172.7(16) . .
F1 Cr1 O8 C16 -122.9(13) . 4_565
O1 Cr1 O8 C16 144.8(13) . 4_565
F2 Cr1 O8 C16 -36.1(13) 4_565 4_565
O6 Cr1 O8 C16 58.0(13) . 4_565
O3 Cr1 O8 C16 52(13) . 4_565
F4 Cr4 F3 Cr3 -127.6(5) . .
O12 Cr4 F3 Cr3 -39.1(5) . .
O10 Cr4 F3 Cr3 52.7(6) . .
O13 Cr4 F3 Cr3 81(10) . .
O15 Cr4 F3 Cr3 140.1(5) . .
F4 Cr4 F3 Rb2 9.3(4) . .
O12 Cr4 F3 Rb2 97.9(4) . .
O10 Cr4 F3 Rb2 -170.3(5) . .
O13 Cr4 F3 Rb2 -142(9) . .
O15 Cr4 F3 Rb2 -82.9(4) . .
F4 Cr3 F3 Cr4 144.5(5) 3_645 .
O14 Cr3 F3 Cr4 10(59) . .
O16 Cr3 F3 Cr4 -122.4(5) . .
O11 Cr3 F3 Cr4 54.1(5) . .
O9 Cr3 F3 Cr4 -37.6(6) . .
F4 Cr3 F3 Rb2 6.9(3) 3_645 .
O14 Cr3 F3 Rb2 -128(58) . .
O16 Cr3 F3 Rb2 100.0(4) . .
O11 Cr3 F3 Rb2 -83.4(4) . .
O9 Cr3 F3 Rb2 -175.1(4) . .
F3 Rb2 F3 Cr4 20.2(5) 4_665 .
F3 Rb2 F3 Cr4 102.9(4) 2_755 .
F3 Rb2 F3 Cr4 -174.5(2) 3_645 .
F4 Rb2 F3 Cr4 6.7(6) 4_665 .
F4 Rb2 F3 Cr4 -161.0(4) 2_755 .
F4 Rb2 F3 Cr4 -147.3(5) 3_645 .
F4 Rb2 F3 Cr4 -7.4(3) . .
F3 Rb2 F3 Cr3 162.07(19) 4_665 .
F3 Rb2 F3 Cr3 -115.3(3) 2_755 .
F3 Rb2 F3 Cr3 -32.7(4) 3_645 .
F4 Rb2 F3 Cr3 148.6(3) 4_665 .
F4 Rb2 F3 Cr3 -19.2(6) 2_755 .
F4 Rb2 F3 Cr3 -5.4(3) 3_645 .
F4 Rb2 F3 Cr3 134.4(4) . .
F3 Cr4 F4 Co3 -144.8(4) . 4_665
O12 Cr4 F4 Co3 122.7(5) . 4_665
O10 Cr4 F4 Co3 -124(30) . 4_665
O13 Cr4 F4 Co3 33.8(5) . 4_665
O15 Cr4 F4 Co3 -56.4(5) . 4_665
F3 Cr4 F4 Cr3 -144.8(4) . 4_665
O12 Cr4 F4 Cr3 122.7(5) . 4_665
O10 Cr4 F4 Cr3 -124(30) . 4_665
O13 Cr4 F4 Cr3 33.8(5) . 4_665
O15 Cr4 F4 Cr3 -56.4(5) . 4_665
F3 Cr4 F4 Rb2 -9.2(3) . .
O12 Cr4 F4 Rb2 -101.7(4) . .
O10 Cr4 F4 Rb2 12(30) . .
O13 Cr4 F4 Rb2 169.5(5) . .
O15 Cr4 F4 Rb2 79.2(4) . .
F3 Rb2 F4 Co3 147.2(4) . 4_665
F3 Rb2 F4 Co3 5.6(3) 4_665 4_665
F3 Rb2 F4 Co3 -12.6(6) 2_755 4_665
F3 Rb2 F4 Co3 165.6(4) 3_645 4_665
F4 Rb2 F4 Co3 -22.8(4) 4_665 4_665
F4 Rb2 F4 Co3 -103.4(3) 2_755 4_665
F4 Rb2 F4 Co3 176.04(19) 3_645 4_665
F3 Rb2 F4 Cr3 147.2(4) . 4_665
F3 Rb2 F4 Cr3 5.6(3) 4_665 4_665
F3 Rb2 F4 Cr3 -12.6(6) 2_755 4_665
F3 Rb2 F4 Cr3 165.6(4) 3_645 4_665
F4 Rb2 F4 Cr3 -22.8(4) 4_665 4_665
F4 Rb2 F4 Cr3 -103.4(3) 2_755 4_665
F4 Rb2 F4 Cr3 176.04(19) 3_645 4_665
F3 Rb2 F4 Cr4 7.2(3) . .
F3 Rb2 F4 Cr4 -134.5(4) 4_665 .
F3 Rb2 F4 Cr4 -152.6(4) 2_755 .
F3 Rb2 F4 Cr4 25.6(6) 3_645 .
F4 Rb2 F4 Cr4 -162.86(19) 4_665 .
F4 Rb2 F4 Cr4 116.6(3) 2_755 .
F4 Rb2 F4 Cr4 36.0(4) 3_645 .
F4 Cr3 O9 C21 111(10) 3_645 .
O14 Cr3 O9 C21 174.5(15) . .
O16 Cr3 O9 C21 83.2(15) . .
F3 Cr3 O9 C21 -5.8(15) . .
O11 Cr3 O9 C21 -96.8(15) . .
F3 Cr4 O10 C21 -43.9(14) . .
F4 Cr4 O10 C21 -65(31) . .
O12 Cr4 O10 C21 48.6(14) . .
O13 Cr4 O10 C21 137.5(14) . .
O15 Cr4 O10 C21 -132.3(14) . .
F4 Cr3 O11 C26 -117.4(16) 3_645 .
O14 Cr3 O11 C26 149.8(16) . .
O16 Cr3 O11 C26 65(7) . .
F3 Cr3 O11 C26 -29.8(16) . .
O9 Cr3 O11 C26 63.7(16) . .
F3 Cr4 O12 C26 -13.9(16) . .
F4 Cr4 O12 C26 73.6(16) . .
O10 Cr4 O12 C26 -105.6(16) . .
O13 Cr4 O12 C26 168.5(16) . .
O15 Cr4 O12 C26 -153(17) . .
F3 Cr4 O13 C31 160(9) . 4_665
F4 Cr4 O13 C31 9.1(18) . 4_665
O12 Cr4 O13 C31 -79.4(18) . 4_665
O10 Cr4 O13 C31 -171.2(18) . 4_665
O15 Cr4 O13 C31 101.4(18) . 4_665
F4 Cr3 O14 C31 45.7(15) 3_645 .
O16 Cr3 O14 C31 -47.4(16) . .
F3 Cr3 O14 C31 -180(100) . .
O11 Cr3 O14 C31 136.1(16) . .
O9 Cr3 O14 C31 -132.2(16) . .
F3 Cr4 O15 C36 128.8(16) . .
F4 Cr4 O15 C36 41.3(16) . .
O12 Cr4 O15 C36 -92(17) . .
O10 Cr4 O15 C36 -139.5(16) . .
O13 Cr4 O15 C36 -53.5(16) . .
F4 Cr3 O16 C36 4.4(15) 3_645 3_645
O14 Cr3 O16 C36 97.2(16) . 3_645
F3 Cr3 O16 C36 -83.2(15) . 3_645
O11 Cr3 O16 C36 -178(100) . 3_645
O9 Cr3 O16 C36 -176.7(16) . 3_645
Cr1 O1 C1 O2 -15(3) . .
Cr1 O1 C1 C2 162.6(10) . .
Cr2 O2 C1 O1 -15(3) . .
Cr2 O2 C1 C2 167.0(10) . .
O1 C1 C2 C3 8(2) . .
O2 C1 C2 C3 -173.7(14) . .
O1 C1 C2 C5 129.3(16) . .
O2 C1 C2 C5 -52.9(17) . .
O1 C1 C2 C4 -112.7(17) . .
O2 C1 C2 C4 65.1(17) . .
Cr2 O4 C6 O3 -22(4) . .
Cr2 O4 C6 C7 -177.3(12) . .
Cr1 O3 C6 O4 -6(5) . .
Cr1 O3 C6 C7 153.0(14) . .
O4 C6 C7 C8 -24(3) . .
O3 C6 C7 C8 176.2(19) . .
O4 C6 C7 C10 99(3) . .
O3 C6 C7 C10 -60(2) . .
O4 C6 C7 C9 -144(3) . .
O3 C6 C7 C9 57(2) . .
Cr1 O6 C11 O5 29(4) . .
Cr1 O6 C11 C12 -164.5(11) . .
Co2 O5 C11 O6 -1(4) 4_565 .
Cr2 O5 C11 O6 -1(4) 4_565 .
Co2 O5 C11 C12 -167.5(10) 4_565 .
Cr2 O5 C11 C12 -167.5(10) 4_565 .
O6 C11 C12 C14 174.7(17) . .
O5 C11 C12 C14 -16(2) . .
O6 C11 C12 C15 55.1(19) . .
O5 C11 C12 C15 -136.0(18) . .
O6 C11 C12 C13 -63.2(19) . .
O5 C11 C12 C13 105.7(19) . .
Cr2 O7 C16 O8 28(3) . 3_655
Cr2 O7 C16 C17 -159.9(9) . .
O7 C16 C17 C20 -172.2(13) . .
O8 C16 C17 C20 0.3(18) 3_655 .
O7 C16 C17 C18 64.9(17) . .
O8 C16 C17 C18 -122.5(14) 3_655 .
O7 C16 C17 C19 -53.5(16) . .
O8 C16 C17 C19 119.0(14) 3_655 .
Cr3 O9 C21 C22 -158.7(10) . .
Cr3 O9 C21 O10 19(2) . .
Cr4 O10 C21 O9 13(2) . .
Cr4 O10 C21 C22 -169.8(10) . .
O9 C21 C22 C24 -126.4(15) . .
O10 C21 C22 C24 55.9(17) . .
O9 C21 C22 C23 -3.9(18) . .
O10 C21 C22 C23 178.4(13) . .
O9 C21 C22 C25 114.3(15) . .
O10 C21 C22 C25 -63.4(17) . .
Cr3 O11 C26 O12 -12(3) . .
Cr3 O11 C26 C27 -157.5(9) . .
Cr4 O12 C26 O11 43(3) . .
Cr4 O12 C26 C27 -170.4(9) . .
O11 C26 C27 C28 -32(2) . .
O12 C26 C27 C28 177.7(16) . .
O11 C26 C27 C29 -160.3(17) . .
O12 C26 C27 C29 49.6(19) . .
O11 C26 C27 C30 86.0(18) . .
O12 C26 C27 C30 -64.1(18) . .
Cr3 O14 C31 O13 -14(3) . 3_645
Cr3 O14 C31 C32 156.3(11) . .
O13 C31 C32 C34 -128.7(18) 3_645 .
O14 C31 C32 C34 60.0(19) . .
O13 C31 C32 C35 111.0(18) 3_645 .
O14 C31 C32 C35 -60(2) . .
O13 C31 C32 C33 -8(2) 3_645 .
O14 C31 C32 C33 -179.5(17) . .
Cr4 O15 C36 O16 -7(4) . 4_665
Cr4 O15 C36 C37 176.6(9) . .
O15 C36 C37 C40 -15(2) . .
O16 C36 C37 C40 167.8(14) 4_665 .
O15 C36 C37 C38 -136.1(19) . .
O16 C36 C37 C38 46.6(16) 4_665 .
O15 C36 C37 C39 106(2) . .
O16 C36 C37 C39 -70.8(15) 4_665 .
