#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:21:42 +0100 (vie 25 de mar de 2016) $
#$Revision: 179812 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/08/7010862.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_7010862
loop_
_publ_author_name
'Christoph Frenzel'
'Fernando Somoza Jr.'
'Steffen Blaurock'
'Evamarie Hey-Hawkins'
_publ_section_title
;
 Syntheses and solid-state structures of
 [{K(THF)2(PHTipp)K(THF)(μ-THF)(PHTipp)}x]2 and [Rb(THF)(PHTipp)]x
 (Tipp = 2,4,6-Pri3C6H2)
;
_journal_issue                   20
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              3115
_journal_page_last               3118
_journal_paper_doi               10.1039/b104576h
_journal_year                    2001
_chemical_formula_sum            'C38 H64 O2 P2 Rb2'
_chemical_formula_weight         785.77
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.61(3)
_cell_angle_beta                 103.67(3)
_cell_angle_gamma                91.66(3)
_cell_formula_units_Z            2
_cell_length_a                   13.165(3)
_cell_length_b                   13.643(3)
_cell_length_c                   13.807(3)
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.83
_cell_measurement_theta_min      1.61
_cell_volume                     2186.5(11)
_computing_cell_refinement       'SAINT (AXS-Bruker)'
_computing_data_collection       'SMART (AXS-Bruker)'
_computing_data_reduction        'SAINT (AXS-Bruker)'
_computing_molecular_graphics    'XP (AXS-Bruker)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.883
_diffrn_measured_fraction_theta_max 0.883
_diffrn_measurement_device_type  'CCD-Diffractometer (AXS Bruker)'
_diffrn_measurement_method       omega-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_sigmaI/netI    0.0842
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19667
_diffrn_reflns_theta_full        27.83
_diffrn_reflns_theta_max         27.83
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    2.338
_exptl_absorpt_correction_T_max  0.6521
_exptl_absorpt_correction_T_min  0.5406
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.552
_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         9166
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.932
_refine_ls_R_factor_all          0.1259
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.153
_refine_ls_shift/su_mean         0.027
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[σ²(Fo²)+(0.1087P)²+0.0000P] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1389
_refine_ls_wR_factor_ref         0.1865
_reflns_number_gt                4945
_reflns_number_total             9166
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104576h.txt
_cod_data_source_block           c326
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2186.6(8)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7010862
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 1.53789(4) 0.93931(4) 0.65949(4) 0.06135(19) Uani 1 1 d . . .
Rb2 Rb 1.33456(4) 0.59487(4) 0.43249(4) 0.06092(19) Uani 1 1 d . . .
P1 P 1.57636(12) 0.64851(11) 0.61751(12) 0.0605(4) Uani 1 1 d . . .
H1 H 1.5306 0.6380 0.6913 0.073 Uiso 1 1 calc R . .
P2 P 1.37436(12) 0.85658(12) 0.39667(12) 0.0640(4) Uani 1 1 d . . .
H2 H 1.2948 0.9068 0.4321 0.077 Uiso 1 1 calc R . .
O1 O 1.2282(5) 0.5868(5) 0.5917(5) 0.1275(19) Uani 1 1 d . . .
O2 O 1.3570(4) 1.0168(5) 0.7350(4) 0.1028(15) Uani 1 1 d . . .
C1 C 1.2860(8) 0.5333(9) 0.6548(8) 0.137(3) Uani 1 1 d . . .
H1A H 1.2948 0.4606 0.6060 0.164 Uiso 1 1 calc R . .
H1B H 1.3559 0.5744 0.6978 0.164 Uiso 1 1 calc R . .
C5 C 1.2665(8) 0.9592(9) 0.7315(9) 0.155(4) Uani 1 1 d . . .
H5A H 1.2795 0.9372 0.7922 0.186 Uiso 1 1 calc R . .
H5B H 1.2428 0.8946 0.6620 0.186 Uiso 1 1 calc R . .
C6 C 1.1850(8) 1.0367(13) 0.7418(13) 0.232(8) Uani 1 1 d . . .
H6A H 1.1156 0.9983 0.6932 0.278 Uiso 1 1 calc R . .
H6B H 1.1795 1.0696 0.8174 0.278 Uiso 1 1 calc R . .
C7 C 1.2176(9) 1.1139(12) 0.7128(13) 0.227(7) Uani 1 1 d . . .
H7A H 1.2116 1.1858 0.7656 0.272 Uiso 1 1 calc R . .
H7B H 1.1746 1.1025 0.6398 0.272 Uiso 1 1 calc R . .
C3 C 1.1353(12) 0.5728(12) 0.7075(13) 0.226(7) Uani 1 1 d . . .
H3A H 1.1288 0.6295 0.7762 0.271 Uiso 1 1 calc R . .
H3B H 1.0729 0.5179 0.6761 0.271 Uiso 1 1 calc R . .
C4 C 1.1461(10) 0.6177(13) 0.6307(14) 0.250(8) Uani 1 1 d . . .
H4A H 1.0817 0.5940 0.5698 0.300 Uiso 1 1 calc R . .
H4B H 1.1551 0.6968 0.6678 0.300 Uiso 1 1 calc R . .
C2 C 1.2252(12) 0.5277(14) 0.7256(13) 0.251(9) Uani 1 1 d . . .
H2A H 1.2069 0.4522 0.7115 0.301 Uiso 1 1 calc R . .
H2B H 1.2666 0.5667 0.8023 0.301 Uiso 1 1 calc R . .
C8 C 1.3265(8) 1.1041(8) 0.7124(11) 0.173(5) Uani 1 1 d . . .
H8A H 1.3350 1.0937 0.6404 0.208 Uiso 1 1 calc R . .
H8B H 1.3716 1.1707 0.7678 0.208 Uiso 1 1 calc R . .
C9 C 1.6588(4) 0.7716(4) 0.7233(4) 0.0479(11) Uani 1 1 d . . .
C10 C 1.6328(4) 0.8284(4) 0.8247(4) 0.0518(12) Uani 1 1 d . . .
C11 C 1.6889(5) 0.9286(5) 0.8990(4) 0.0668(15) Uani 1 1 d . . .
H11 H 1.6696 0.9642 0.9645 0.080 Uiso 1 1 calc R . .
C12 C 1.7707(5) 0.9788(4) 0.8827(5) 0.0681(16) Uani 1 1 d . . .
C13 C 1.7995(4) 0.9199(5) 0.7879(5) 0.0651(15) Uani 1 1 d . . .
H13 H 1.8578 0.9501 0.7759 0.078 Uiso 1 1 calc R . .
C14 C 1.7482(4) 0.8196(4) 0.7095(4) 0.0499(12) Uani 1 1 d . . .
C15 C 1.8274(7) 1.0898(5) 0.9621(6) 0.113(3) Uani 1 1 d . . .
H15 H 1.8884 1.0903 0.9318 0.135 Uiso 1 1 calc R . .
C16 C 1.7797(8) 1.1749(5) 0.9421(6) 0.124(3) Uani 1 1 d . . .
H16A H 1.7489 1.1510 0.8638 0.187 Uiso 1 1 calc R . .
H16B H 1.8329 1.2373 0.9688 0.187 Uiso 1 1 calc R . .
H16C H 1.7250 1.1944 0.9800 0.187 Uiso 1 1 calc R . .
C17 C 1.8829(7) 1.0983(7) 1.0685(6) 0.142(4) Uani 1 1 d . . .
H17A H 1.9091 1.0308 1.0615 0.213 Uiso 1 1 calc R . .
H17B H 1.8353 1.1139 1.1152 0.213 Uiso 1 1 calc R . .
H17C H 1.9417 1.1562 1.1009 0.213 Uiso 1 1 calc R . .
C18 C 1.5425(5) 0.7778(5) 0.8489(5) 0.0742(16) Uani 1 1 d . . .
H18 H 1.4956 0.7275 0.7768 0.089 Uiso 1 1 calc R . .
C19 C 1.4775(9) 0.8529(9) 0.9040(14) 0.245(8) Uani 1 1 d . . .
H19A H 1.4547 0.8969 0.8646 0.367 Uiso 1 1 calc R . .
H19B H 1.5181 0.8990 0.9784 0.367 Uiso 1 1 calc R . .
H19C H 1.4163 0.8131 0.9058 0.367 Uiso 1 1 calc R . .
C20 C 1.5783(7) 0.7137(10) 0.9076(11) 0.212(6) Uani 1 1 d . . .
H20A H 1.6184 0.6608 0.8680 0.318 Uiso 1 1 calc R . .
H20B H 1.5180 0.6769 0.9143 0.318 Uiso 1 1 calc R . .
H20C H 1.6228 0.7601 0.9802 0.318 Uiso 1 1 calc R . .
C21 C 1.7876(4) 0.7642(5) 0.6081(4) 0.0654(14) Uani 1 1 d . . .
H21 H 1.7624 0.6860 0.5774 0.078 Uiso 1 1 calc R . .
C22 C 1.9101(5) 0.7783(8) 0.6361(6) 0.124(3) Uani 1 1 d . . .
H22A H 1.9317 0.7407 0.5696 0.185 Uiso 1 1 calc R . .
H22B H 1.9377 0.7485 0.6885 0.185 Uiso 1 1 calc R . .
H22C H 1.9373 0.8545 0.6676 0.185 Uiso 1 1 calc R . .
C23 C 1.7427(6) 0.8028(6) 0.5200(5) 0.094(2) Uani 1 1 d . . .
H23A H 1.7680 0.7645 0.4561 0.141 Uiso 1 1 calc R . .
H23B H 1.7653 0.8797 0.5479 0.141 Uiso 1 1 calc R . .
H23C H 1.6663 0.7890 0.4995 0.141 Uiso 1 1 calc R . .
C24 C 1.1820(4) 0.7106(4) 0.2993(4) 0.0568(13) Uani 1 1 d . . .
C25 C 1.1228(4) 0.6100(5) 0.2310(5) 0.0726(16) Uani 1 1 d . . .
H25 H 1.0536 0.5973 0.2348 0.087 Uiso 1 1 calc R . .
C26 C 1.1614(5) 0.5285(5) 0.1585(5) 0.0784(18) Uani 1 1 d . . .
C27 C 1.2605(5) 0.5509(5) 0.1507(5) 0.0734(16) Uani 1 1 d . . .
H27 H 1.2869 0.4971 0.0988 0.088 Uiso 1 1 calc R . .
C28 C 1.3242(4) 0.6509(4) 0.2168(4) 0.0583(13) Uani 1 1 d . . .
C29 C 1.2870(4) 0.7334(4) 0.2970(4) 0.0509(12) Uani 1 1 d . . .
C30 C 1.0945(6) 0.4162(6) 0.0950(8) 0.124(3) Uani 1 1 d . . .
H30 H 1.0194 0.4258 0.0886 0.148 Uiso 1 1 calc R . .
C31 C 1.1095(10) 0.3645(7) -0.0229(8) 0.194(6) Uani 1 1 d . . .
H31A H 1.0900 0.4119 -0.0591 0.291 Uiso 1 1 calc R . .
H31B H 1.0649 0.2952 -0.0646 0.291 Uiso 1 1 calc R . .
H31C H 1.1827 0.3542 -0.0185 0.291 Uiso 1 1 calc R . .
C32 C 1.1211(7) 0.3452(7) 0.1518(9) 0.164(5) Uani 1 1 d . . .
H32A H 1.0764 0.2760 0.1099 0.246 Uiso 1 1 calc R . .
H32B H 1.1099 0.3784 0.2243 0.246 Uiso 1 1 calc R . .
H32C H 1.1945 0.3344 0.1585 0.246 Uiso 1 1 calc R . .
C33 C 1.1313(4) 0.7959(5) 0.3757(5) 0.0703(15) Uani 1 1 d . . .
H33 H 1.1870 0.8367 0.4449 0.084 Uiso 1 1 calc R . .
C34 C 1.0942(5) 0.8761(5) 0.3279(5) 0.092(2) Uani 1 1 d . . .
H34A H 1.0623 0.9303 0.3775 0.137 Uiso 1 1 calc R . .
H34B H 1.0426 0.8381 0.2573 0.137 Uiso 1 1 calc R . .
H34C H 1.1541 0.9108 0.3183 0.137 Uiso 1 1 calc R . .
C35 C 1.0412(7) 0.7541(7) 0.4058(8) 0.132(3) Uani 1 1 d . . .
H35A H 1.0144 0.8145 0.4545 0.198 Uiso 1 1 calc R . .
H35B H 1.0662 0.7083 0.4425 0.198 Uiso 1 1 calc R . .
H35C H 0.9852 0.7126 0.3397 0.198 Uiso 1 1 calc R . .
C36 C 1.4315(5) 0.6689(5) 0.2011(5) 0.0827(18) Uani 1 1 d . . .
H36 H 1.4544 0.7477 0.2319 0.099 Uiso 1 1 calc R . .
C37 C 1.4295(8) 0.6184(8) 0.0782(7) 0.151(4) Uani 1 1 d . . .
H37A H 1.3784 0.6486 0.0388 0.226 Uiso 1 1 calc R . .
H37B H 1.4099 0.5408 0.0479 0.226 Uiso 1 1 calc R . .
H37C H 1.4990 0.6341 0.0710 0.226 Uiso 1 1 calc R . .
C38 C 1.5123(5) 0.6201(7) 0.2568(7) 0.117(3) Uani 1 1 d . . .
H38A H 1.5800 0.6343 0.2453 0.175 Uiso 1 1 calc R . .
H38B H 1.4912 0.5427 0.2265 0.175 Uiso 1 1 calc R . .
H38C H 1.5180 0.6515 0.3349 0.175 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'
P P 0.1023 0.0942 '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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
O2 Rb1 C9 122.40(14) . . ?
O2 Rb1 C10 100.43(14) . . ?
C9 Rb1 C10 25.88(12) . . ?
O2 Rb1 C14 143.41(13) . . ?
C9 Rb1 C14 25.15(12) . . ?
C10 Rb1 C14 43.13(12) . . ?
O2 Rb1 P2 101.80(12) . 2_876 ?
C9 Rb1 P2 130.50(10) . 2_876 ?
C10 Rb1 P2 136.07(10) . 2_876 ?
C14 Rb1 P2 105.37(9) . 2_876 ?
O2 Rb1 P2 86.36(10) . . ?
C9 Rb1 P2 119.13(10) . . ?
C10 Rb1 P2 137.14(10) . . ?
C14 Rb1 P2 121.25(9) . . ?
P2 Rb1 P2 81.79(5) 2_876 . ?
O2 Rb1 C11 98.46(14) . . ?
C9 Rb1 C11 42.90(13) . . ?
C10 Rb1 C11 23.41(12) . . ?
C14 Rb1 C11 47.54(13) . . ?
P2 Rb1 C11 115.31(11) 2_876 . ?
P2 Rb1 C11 160.49(10) . . ?
O2 Rb1 C13 135.04(14) . . ?
C9 Rb1 C13 42.00(13) . . ?
C10 Rb1 C13 47.25(13) . . ?
C14 Rb1 C13 22.91(12) . . ?
P2 Rb1 C13 91.48(9) 2_876 . ?
P2 Rb1 C13 138.36(11) . . ?
C11 Rb1 C13 38.52(14) . . ?
O2 Rb1 C12 113.09(15) . . ?
C9 Rb1 C12 49.50(13) . . ?
C10 Rb1 C12 40.85(13) . . ?
C14 Rb1 C12 40.78(13) . . ?
P2 Rb1 C12 95.37(11) 2_876 . ?
P2 Rb1 C12 160.46(11) . . ?
C11 Rb1 C12 21.96(13) . . ?
C13 Rb1 C12 22.10(13) . . ?
O2 Rb1 C8 20.63(17) . . ?
C9 Rb1 C8 142.58(19) . . ?
C10 Rb1 C8 118.9(2) . . ?
C14 Rb1 C8 159.1(2) . . ?
P2 Rb1 C8 81.69(15) 2_876 . ?
P2 Rb1 C8 78.9(2) . . ?
C11 Rb1 C8 111.6(2) . . ?
C13 Rb1 C8 141.0(2) . . ?
C12 Rb1 C8 120.0(2) . . ?
O2 Rb1 P1 115.95(12) . . ?
C9 Rb1 P1 27.94(9) . . ?
C10 Rb1 P1 46.16(10) . . ?
C14 Rb1 P1 46.24(9) . . ?
P2 Rb1 P1 141.47(4) 2_876 . ?
P2 Rb1 P1 92.71(5) . . ?
C11 Rb1 P1 68.14(10) . . ?
C13 Rb1 P1 67.68(10) . . ?
C12 Rb1 P1 77.44(10) . . ?
C8 Rb1 P1 134.84(15) . . ?
O2 Rb1 Rb2 89.67(12) . . ?
C9 Rb1 Rb2 73.16(9) . . ?
C10 Rb1 Rb2 84.68(10) . . ?
C14 Rb1 Rb2 89.69(9) . . ?
P2 Rb1 Rb2 132.56(3) 2_876 . ?
P2 Rb1 Rb2 52.86(4) . . ?
C11 Rb1 Rb2 108.03(11) . . ?
C13 Rb1 Rb2 112.31(10) . . ?
C12 Rb1 Rb2 122.23(9) . . ?
C8 Rb1 Rb2 99.99(19) . . ?
P1 Rb1 Rb2 45.44(3) . . ?
O1 Rb2 C29 126.46(15) . . ?
O1 Rb2 C24 104.53(15) . . ?
C29 Rb2 C24 25.51(12) . . ?
O1 Rb2 C28 147.06(15) . . ?
C29 Rb2 C28 25.18(12) . . ?
C24 Rb2 C28 42.87(13) . . ?
O1 Rb2 P1 95.03(12) . 2_866 ?
C29 Rb2 P1 133.74(10) . 2_866 ?
C24 Rb2 P1 138.90(10) . 2_866 ?
C28 Rb2 P1 108.58(10) . 2_866 ?
O1 Rb2 P1 91.28(12) . . ?
C29 Rb2 P1 118.70(10) . . ?
C24 Rb2 P1 139.62(10) . . ?
C28 Rb2 P1 116.75(10) . . ?
P1 Rb2 P1 73.95(5) 2_866 . ?
O1 Rb2 C25 101.34(16) . . ?
C29 Rb2 C25 42.61(13) . . ?
C24 Rb2 C25 23.29(13) . . ?
C28 Rb2 C25 47.46(14) . . ?
P1 Rb2 C25 117.97(11) 2_866 . ?
P1 Rb2 C25 161.31(10) . . ?
O1 Rb2 C27 136.86(17) . . ?
C29 Rb2 C27 42.19(13) . . ?
C24 Rb2 C27 47.21(13) . . ?
C28 Rb2 C27 23.13(13) . . ?
P1 Rb2 C27 94.52(10) 2_866 . ?
P1 Rb2 C27 131.73(12) . . ?
C25 Rb2 C27 38.56(14) . . ?
O1 Rb2 C26 115.07(17) . . ?
C29 Rb2 C26 49.00(14) . . ?
C24 Rb2 C26 40.46(14) . . ?
C28 Rb2 C26 40.42(15) . . ?
P1 Rb2 C26 98.50(11) 2_866 . ?
P1 Rb2 C26 153.33(13) . . ?
C25 Rb2 C26 21.90(13) . . ?
C27 Rb2 C26 21.79(14) . . ?
O1 Rb2 C1 21.67(17) . . ?
C29 Rb2 C1 147.37(18) . . ?
C24 Rb2 C1 126.19(18) . . ?
C28 Rb2 C1 168.00(18) . . ?
P1 Rb2 C1 77.18(16) 2_866 . ?
P1 Rb2 C1 74.70(16) . . ?
C25 Rb2 C1 120.60(18) . . ?
C27 Rb2 C1 149.5(2) . . ?
C26 Rb2 C1 129.5(2) . . ?
O1 Rb2 P2 120.59(12) . . ?
C29 Rb2 P2 28.13(10) . . ?
C24 Rb2 P2 46.55(10) . . ?
C28 Rb2 P2 45.89(10) . . ?
P1 Rb2 P2 142.77(4) 2_866 . ?
P1 Rb2 P2 93.38(5) . . ?
C25 Rb2 P2 68.37(11) . . ?
C27 Rb2 P2 67.70(11) . . ?
C26 Rb2 P2 77.13(11) . . ?
C1 Rb2 P2 134.00(17) . . ?
O1 Rb2 Rb1 96.36(13) . . ?
C29 Rb2 Rb1 74.10(10) . . ?
C24 Rb2 Rb1 87.93(10) . . ?
C28 Rb2 Rb1 88.26(11) . . ?
P1 Rb2 Rb1 125.83(3) 2_866 . ?
P1 Rb2 Rb1 53.06(4) . . ?
C25 Rb2 Rb1 111.21(11) . . ?
C27 Rb2 Rb1 111.38(11) . . ?
C26 Rb2 Rb1 123.10(10) . . ?
C1 Rb2 Rb1 96.84(17) . . ?
P2 Rb2 Rb1 45.99(3) . . ?
C9 P1 Rb2 119.77(15) . 2_866 ?
C9 P1 Rb2 134.14(15) . . ?
Rb2 P1 Rb2 106.05(5) 2_866 . ?
C9 P1 Rb1 53.32(14) . . ?
Rb2 P1 Rb1 166.17(5) 2_866 . ?
Rb2 P1 Rb1 81.51(5) . . ?
C29 P2 Rb1 125.45(15) . 2_876 ?
C29 P2 Rb1 135.17(15) . . ?
Rb1 P2 Rb1 98.21(5) 2_876 . ?
C29 P2 Rb2 54.06(14) . . ?
Rb1 P2 Rb2 165.32(5) 2_876 . ?
Rb1 P2 Rb2 81.16(5) . . ?
C4 O1 C1 106.9(7) . . ?
C4 O1 Rb2 142.5(6) . . ?
C1 O1 Rb2 110.6(4) . . ?
C5 O2 C8 107.4(7) . . ?
C5 O2 Rb1 129.6(6) . . ?
C8 O2 Rb1 112.6(5) . . ?
C2 C1 O1 106.5(8) . . ?
C2 C1 Rb2 154.1(8) . . ?
O1 C1 Rb2 47.8(3) . . ?
O2 C5 C6 105.0(8) . . ?
C7 C6 C5 107.2(9) . . ?
C6 C7 C8 106.3(9) . . ?
C2 C3 C4 105.4(10) . . ?
O1 C4 C3 111.0(9) . . ?
C3 C2 C1 109.4(11) . . ?
O2 C8 C7 110.1(8) . . ?
O2 C8 Rb1 46.8(4) . . ?
C7 C8 Rb1 150.8(8) . . ?
C14 C9 C10 116.2(4) . . ?
C14 C9 P1 123.1(4) . . ?
C10 C9 P1 120.7(4) . . ?
C14 C9 Rb1 85.8(3) . . ?
C10 C9 Rb1 82.4(3) . . ?
P1 C9 Rb1 98.74(17) . . ?
C11 C10 C9 119.9(5) . . ?
C11 C10 C18 120.9(5) . . ?
C9 C10 C18 119.2(5) . . ?
C11 C10 Rb1 88.1(3) . . ?
C9 C10 Rb1 71.7(2) . . ?
C18 C10 Rb1 109.7(3) . . ?
C12 C11 C10 124.1(5) . . ?
C12 C11 Rb1 85.3(3) . . ?
C10 C11 Rb1 68.5(3) . . ?
C13 C12 C11 115.3(5) . . ?
C13 C12 C15 121.5(7) . . ?
C11 C12 C15 123.2(6) . . ?
C13 C12 Rb1 75.1(3) . . ?
C11 C12 Rb1 72.8(3) . . ?
C15 C12 Rb1 121.8(4) . . ?
C12 C13 C14 124.5(5) . . ?
C12 C13 Rb1 82.8(3) . . ?
C14 C13 Rb1 69.4(3) . . ?
C13 C14 C9 119.8(5) . . ?
C13 C14 C21 119.0(5) . . ?
C9 C14 C21 121.2(4) . . ?
C13 C14 Rb1 87.7(3) . . ?
C9 C14 Rb1 69.0(2) . . ?
C21 C14 Rb1 112.1(3) . . ?
C16 C15 C17 124.4(7) . . ?
C16 C15 C12 113.5(6) . . ?
C17 C15 C12 114.8(6) . . ?
C20 C18 C19 109.9(8) . . ?
C20 C18 C10 112.2(6) . . ?
C19 C18 C10 115.1(6) . . ?
C23 C21 C14 111.9(4) . . ?
C23 C21 C22 110.2(5) . . ?
C14 C21 C22 112.1(5) . . ?
C25 C24 C29 120.8(5) . . ?
C25 C24 C33 118.5(5) . . ?
C29 C24 C33 120.7(5) . . ?
C25 C24 Rb2 88.5(3) . . ?
C29 C24 Rb2 72.0(3) . . ?
C33 C24 Rb2 110.5(3) . . ?
C26 C25 C24 122.6(6) . . ?
C26 C25 Rb2 84.8(3) . . ?
C24 C25 Rb2 68.2(3) . . ?
C27 C26 C25 117.4(6) . . ?
C27 C26 C30 123.6(7) . . ?
C25 C26 C30 118.9(7) . . ?
C27 C26 Rb2 75.5(3) . . ?
C25 C26 Rb2 73.2(3) . . ?
C30 C26 Rb2 118.5(5) . . ?
C26 C27 C28 122.8(6) . . ?
C26 C27 Rb2 82.7(4) . . ?
C28 C27 Rb2 68.9(3) . . ?
C27 C28 C29 119.9(5) . . ?
C27 C28 C36 119.1(5) . . ?
C29 C28 C36 121.0(5) . . ?
C27 C28 Rb2 88.0(3) . . ?
C29 C28 Rb2 69.5(3) . . ?
C36 C28 Rb2 112.9(3) . . ?
C24 C29 C28 116.2(5) . . ?
C24 C29 P2 122.8(4) . . ?
C28 C29 P2 120.9(4) . . ?
C24 C29 Rb2 82.5(3) . . ?
C28 C29 Rb2 85.3(3) . . ?
P2 C29 Rb2 97.81(18) . . ?
C32 C30 C31 111.0(8) . . ?
C32 C30 C26 112.1(7) . . ?
C31 C30 C26 109.0(8) . . ?
C24 C33 C34 110.3(4) . . ?
C24 C33 C35 115.9(6) . . ?
C34 C33 C35 109.2(6) . . ?
C38 C36 C28 112.3(5) . . ?
C38 C36 C37 106.6(6) . . ?
C28 C36 C37 111.7(6) . . ?
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
Rb1 O2 2.883(5) . ?
Rb1 C9 3.116(4) . ?
Rb1 C10 3.253(5) . ?
Rb1 C14 3.328(5) . ?
Rb1 P2 3.4141(17) 2_876 ?
Rb1 P2 3.459(2) . ?
Rb1 C11 3.493(5) . ?
Rb1 C13 3.551(5) . ?
Rb1 C12 3.645(5) . ?
Rb1 C8 3.653(9) . ?
Rb1 P1 3.8401(17) . ?
Rb1 Rb2 4.752(2) . ?
Rb2 O1 2.906(5) . ?
Rb2 C29 3.133(4) . ?
Rb2 C24 3.266(5) . ?
Rb2 C28 3.333(5) . ?
Rb2 P1 3.4131(17) 2_866 ?
Rb2 P1 3.423(2) . ?
Rb2 C25 3.518(5) . ?
Rb2 C27 3.571(6) . ?
Rb2 C26 3.659(6) . ?
Rb2 C1 3.675(9) . ?
Rb2 P2 3.8336(17) . ?
P1 C9 1.820(5) . ?
P1 Rb2 3.4131(17) 2_866 ?
P2 C29 1.824(5) . ?
P2 Rb1 3.4141(17) 2_876 ?
O1 C4 1.325(11) . ?
O1 C1 1.449(9) . ?
O2 C5 1.388(10) . ?
O2 C8 1.394(9) . ?
C1 C2 1.423(12) . ?
C5 C6 1.519(14) . ?
C6 C7 1.358(14) . ?
C7 C8 1.445(12) . ?
C3 C2 1.366(15) . ?
C3 C4 1.451(15) . ?
C9 C14 1.418(7) . ?
C9 C10 1.432(7) . ?
C10 C11 1.389(7) . ?
C10 C18 1.525(7) . ?
C11 C12 1.368(8) . ?
C12 C13 1.383(8) . ?
C12 C15 1.507(8) . ?
C13 C14 1.384(7) . ?
C14 C21 1.523(7) . ?
C15 C16 1.428(9) . ?
C15 C17 1.434(9) . ?
C18 C20 1.433(9) . ?
C18 C19 1.447(10) . ?
C21 C23 1.515(7) . ?
C21 C22 1.554(8) . ?
C24 C25 1.391(8) . ?
C24 C29 1.419(7) . ?
C24 C33 1.519(7) . ?
C25 C26 1.370(8) . ?
C26 C27 1.369(9) . ?
C26 C30 1.541(9) . ?
C27 C28 1.404(8) . ?
C28 C29 1.423(7) . ?
C28 C36 1.506(8) . ?
C30 C32 1.474(11) . ?
C30 C31 1.557(14) . ?
C33 C34 1.527(7) . ?
C33 C35 1.513(9) . ?
C36 C38 1.494(9) . ?
C36 C37 1.548(10) . ?
