#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:37:57 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178660 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/71/4077128.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_4077128
loop_
_publ_author_name
'Wang, Jianhui'
'Li, Shoujian'
'Zheng, Chong'
'Maguire, John A.'
'Hosmane, Narayan S.'
_publ_section_title
;
 Synthesis and Crystal Structure of a “Carbons Apart”
 Erbacarborane Sandwich:  An Example of Novel, One-Pot,
 Two-Electron Reductive Cage Opening with Concomitant Metalation of the
 C2B4Carborane Ligand
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5149
_journal_paper_doi               10.1021/om020663k
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C24 H60 B8 Er K O2 Si4'
_chemical_formula_weight         785.92
_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                105.006(2)
_cell_angle_beta                 92.473(3)
_cell_angle_gamma                106.286(3)
_cell_formula_units_Z            2
_cell_length_a                   11.5566(18)
_cell_length_b                   12.587(2)
_cell_length_c                   14.955(2)
_cell_measurement_reflns_used    717
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      -14
_cell_volume                     2001.1(5)
_computing_cell_refinement       'SMART and SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Siemens SMART CCD  PLATFORM'
_diffrn_measurement_method       'ω 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  0.0123
_diffrn_reflns_av_sigmaI/netI    0.0186
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10336
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.85
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.341
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.762663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             806
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.550
_refine_diff_density_min         -0.393
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       0.00000(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         6856
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0189
_refine_ls_R_factor_gt           0.0179
_refine_ls_shift/su_max          3.400
_refine_ls_shift/su_mean         0.073
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0260P)²+1.4151P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0463
_refine_ls_wR_factor_ref         0.0466
_reflns_number_gt                6565
_reflns_number_total             6856
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om020663k.cif
_cod_data_source_block           hos181
_cod_original_cell_volume        2001.2(5)
_cod_database_code               4077128
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
Er Er 0.524215(8) 0.474009(8) 0.121823(6) 0.01858(5) Uani 1 1 d .
K K 0.52223(5) 0.18557(5) 0.27836(4) 0.03713(13) Uani 1 1 d .
Si11 Si 0.85665(6) 0.63529(7) 0.28269(5) 0.03293(16) Uani 1 1 d .
Si12 Si 0.35752(6) 0.59283(6) 0.36102(5) 0.02888(15) Uani 1 1 d .
Si21 Si 0.67045(6) 0.21447(6) -0.02381(5) 0.02761(14) Uani 1 1 d .
Si22 Si 0.18291(6) 0.23985(6) 0.05979(5) 0.02705(14) Uani 1 1 d .
C11 C 0.6906(2) 0.5661(2) 0.26700(15) 0.0247(5) Uani 1 1 d .
B12 B 0.5959(2) 0.6345(2) 0.28546(18) 0.0249(5) Uani 1 1 d .
H12 H 0.6122 0.7294 0.2977 0.034(7) Uiso 1 1 calc R
C13 C 0.4763(2) 0.5442(2) 0.29677(15) 0.0235(5) Uani 1 1 d .
B14 B 0.4900(2) 0.4197(2) 0.28141(18) 0.0241(5) Uani 1 1 d .
H14 H 0.4001 0.3660 0.2934 0.068(11) Uiso 1 1 calc R
B15 B 0.6337(2) 0.4343(2) 0.26148(18) 0.0250(5) Uani 1 1 d .
H15 H 0.7109 0.3968 0.2507 0.071(11) Uiso 1 1 calc R
B16 B 0.6058(2) 0.5397(2) 0.35385(18) 0.0268(6) Uani 1 1 d .
H16 H 0.6345 0.5597 0.4304 0.033(7) Uiso 1 1 calc R
C21 C 0.5492(2) 0.28522(19) 0.00180(15) 0.0228(5) Uani 1 1 d .
B22 B 0.4457(2) 0.2459(2) 0.06124(18) 0.0243(5) Uani 1 1 d .
H22 H 0.4429 0.1867 0.1061 0.035(7) Uiso 1 1 calc R
C23 C 0.3417(2) 0.29297(19) 0.03402(15) 0.0220(5) Uani 1 1 d .
B24 B 0.3765(2) 0.3635(2) -0.03867(17) 0.0210(5) Uani 1 1 d .
H24 H 0.2898 0.3747 -0.0649 0.087(13) Uiso 1 1 calc R
B25 B 0.5153(2) 0.3588(2) -0.05959(17) 0.0209(5) Uani 1 1 d .
H25 H 0.5854 0.3649 -0.1090 0.079(12) Uiso 1 1 calc R
B26 B 0.4048(2) 0.2288(2) -0.05841(18) 0.0246(5) Uani 1 1 d .
H26 H 0.3639 0.1482 -0.1170 0.041(8) Uiso 1 1 calc R
O31 O 0.3405(3) 0.0855(2) 0.35855(19) 0.0815(9) Uani 1 1 d .
C32 C 0.2433(5) 0.1331(7) 0.3948(4) 0.124(2) Uani 1 1 d .
H32A H 0.1757 0.1148 0.3448 0.175(19) Uiso 1 1 calc R
H32B H 0.2748 0.2178 0.4218 1.7(7) Uiso 1 1 calc R
C33 C 0.2028(7) 0.0749(9) 0.4678(5) 0.142(3) Uani 1 1 d .
H33A H 0.2271 0.1311 0.5305 0.8(2) Uiso 1 1 calc R
H33B H 0.1133 0.0415 0.4584 0.20(4) Uiso 1 1 calc R
C34 C 0.2595(11) -0.0147(7) 0.4604(7) 0.199(5) Uani 1 1 d .
H34A H 0.3084 -0.0032 0.5200 0.22(5) Uiso 1 1 calc R
H34B H 0.1974 -0.0914 0.4441 0.14(2) Uiso 1 1 calc R
C35 C 0.3342(12) -0.0062(5) 0.3891(6) 0.276(8) Uani 1 1 d .
H35A H 0.4171 -0.0023 0.4126 0.049(11) Uiso 1 1 calc R
H35B H 0.3026 -0.0768 0.3360 0.168(17) Uiso 1 1 calc R
O41 O 0.72692(19) 0.15199(19) 0.33648(15) 0.0503(5) Uani 1 1 d .
C42 C 0.7645(3) 0.0537(3) 0.2912(3) 0.0553(8) Uani 1 1 d .
H42A H 0.7381 0.0294 0.2232 0.098(15) Uiso 1 1 calc R
H42B H 0.7286 -0.0118 0.3165 0.064(11) Uiso 1 1 calc R
C43 C 0.9000(4) 0.0905(4) 0.3099(5) 0.0939(17) Uani 1 1 d .
H43A H 0.9267 0.0651 0.3626 0.31(6) Uiso 1 1 calc R
H43B H 0.9356 0.0581 0.2541 0.118(18) Uiso 1 1 calc R
C44 C 0.9360(4) 0.2176(4) 0.3336(4) 0.0815(13) Uani 1 1 d .
H44A H 0.9476 0.2440 0.2768 0.16(3) Uiso 1 1 calc R
H44B H 1.0121 0.2528 0.3773 0.095(15) Uiso 1 1 calc R
C45 C 0.8325(3) 0.2472(3) 0.3780(3) 0.0568(9) Uani 1 1 d .
H45A H 0.8454 0.2591 0.4462 0.076(12) Uiso 1 1 calc R
H45B H 0.8237 0.3188 0.3666 0.084(13) Uiso 1 1 calc R
C101 C 0.9275(3) 0.6240(4) 0.3929(3) 0.0681(11) Uani 1 1 d .
H10A H 1.0154 0.6609 0.4002 0.093(14) Uiso 1 1 calc R
H10B H 0.9110 0.5425 0.3905 0.073(13) Uiso 1 1 calc R
H10C H 0.8932 0.6627 0.4460 0.117(19) Uiso 1 1 calc R
C102 C 0.9245(3) 0.5627(4) 0.1830(3) 0.0592(9) Uani 1 1 d .
H10D H 1.0126 0.5997 0.1917 0.095(14) Uiso 1 1 calc R
H10E H 0.8891 0.5693 0.1247 0.100(16) Uiso 1 1 calc R
H10F H 0.9076 0.4811 0.1801 0.080(13) Uiso 1 1 calc R
C103 C 0.8935(3) 0.7907(3) 0.2866(3) 0.0646(10) Uani 1 1 d .
H10G H 0.9819 0.8254 0.2949 0.115(17) Uiso 1 1 calc R
H10H H 0.8592 0.8310 0.3388 0.088(14) Uiso 1 1 calc R
H10I H 0.8588 0.7972 0.2280 0.13(2) Uiso 1 1 calc R
C104 C 0.2300(3) 0.4707(3) 0.3747(2) 0.0439(7) Uani 1 1 d .
H10J H 0.1704 0.5012 0.4088 0.061(10) Uiso 1 1 calc R
H10K H 0.2619 0.4267 0.4095 0.080(13) Uiso 1 1 calc R
H10L H 0.1909 0.4200 0.3130 0.078(12) Uiso 1 1 calc R
C105 C 0.4257(3) 0.6864(3) 0.4812(2) 0.0530(9) Uani 1 1 d .
H10M H 0.3629 0.7120 0.5147 0.076(12) Uiso 1 1 calc R
H10N H 0.4906 0.7539 0.4770 0.087(14) Uiso 1 1 calc R
H10O H 0.4595 0.6425 0.5149 0.097(15) Uiso 1 1 calc R
C106 C 0.2927(3) 0.6784(3) 0.2986(2) 0.0469(7) Uani 1 1 d .
H10P H 0.2304 0.7038 0.3329 0.088(14) Uiso 1 1 calc R
H10Q H 0.2562 0.6302 0.2356 0.072(12) Uiso 1 1 calc R
H10R H 0.3575 0.7459 0.2947 0.067(11) Uiso 1 1 calc R
C201 C 0.6112(3) 0.0866(3) -0.1292(2) 0.0448(7) Uani 1 1 d .
H20A H 0.6739 0.0483 -0.1437 0.069(11) Uiso 1 1 calc R
H20B H 0.5897 0.1124 -0.1824 0.057(10) Uiso 1 1 calc R
H20C H 0.5389 0.0324 -0.1165 0.077(12) Uiso 1 1 calc R
C202 C 0.7122(3) 0.1613(3) 0.0749(2) 0.0485(8) Uani 1 1 d .
H20D H 0.7760 0.1248 0.0592 0.066(11) Uiso 1 1 calc R
H20E H 0.6405 0.1048 0.0860 0.077(12) Uiso 1 1 calc R
H20F H 0.7418 0.2264 0.1314 0.063(11) Uiso 1 1 calc R
C203 C 0.8098(2) 0.3143(3) -0.0482(2) 0.0429(7) Uani 1 1 d .
H20G H 0.8716 0.2745 -0.0613 0.079(11) Uiso 1 1 calc R
H20H H 0.8410 0.3819 0.0062 0.078(13) Uiso 1 1 calc R
H20I H 0.7902 0.3390 -0.1024 0.098(15) Uiso 1 1 calc R
C204 C 0.1244(3) 0.3655(3) 0.1014(2) 0.0458(7) Uani 1 1 d .
H20J H 0.0409 0.3385 0.1152 0.070(11) Uiso 1 1 calc R
H20K H 0.1259 0.4051 0.0528 0.066(11) Uiso 1 1 calc R
H20L H 0.1758 0.4191 0.1580 0.074(12) Uiso 1 1 calc R
C205 C 0.0822(3) 0.1375(3) -0.0466(2) 0.0504(8) Uani 1 1 d .
H20M H -0.0006 0.1108 -0.0313 0.055(9) Uiso 1 1 calc R
H20N H 0.1125 0.0712 -0.0692 0.054(10) Uiso 1 1 calc R
H20O H 0.0819 0.1767 -0.0953 0.086(14) Uiso 1 1 calc R
C206 C 0.1784(3) 0.1635(3) 0.1517(2) 0.0435(7) Uani 1 1 d .
H20P H 0.0944 0.1359 0.1645 0.068(11) Uiso 1 1 calc R
H20Q H 0.2287 0.2167 0.2089 0.056(10) Uiso 1 1 calc R
H20R H 0.2097 0.0977 0.1301 0.088(14) 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 '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'
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
C11 Er B15 35.17(8) . .
C11 Er C23 145.47(7) . .
B15 Er C23 110.72(8) . .
C11 Er B22 117.07(8) . .
B15 Er B22 82.94(8) . .
C23 Er B22 34.50(7) . .
C11 Er B25 108.77(7) . 2_665
B15 Er B25 143.01(8) . 2_665
C23 Er B25 103.32(7) . 2_665
B22 Er B25 133.96(8) . 2_665
C11 Er B12 34.47(8) . .
B15 Er B12 59.28(8) . .
C23 Er B12 141.18(8) . .
B22 Er B12 137.16(8) . .
B25 Er B12 85.13(8) 2_665 .
C11 Er B14 58.57(8) . .
B15 Er B14 36.75(8) . .
C23 Er B14 90.24(8) . .
B22 Er B14 78.89(8) . .
B25 Er B14 132.49(8) 2_665 .
B12 Er B14 58.94(8) . .
C11 Er C13 56.11(7) . .
B15 Er C13 58.13(8) . .
C23 Er C13 107.11(7) . .
B22 Er C13 109.78(8) . .
B25 Er C13 98.66(7) 2_665 .
B12 Er C13 34.27(8) . .
B14 Er C13 34.41(8) . .
C11 Er B24 93.10(7) . 2_665
B15 Er B24 125.08(8) . 2_665
C23 Er B24 120.75(7) . 2_665
B22 Er B24 132.53(8) . 2_665
B25 Er B24 36.34(8) 2_665 2_665
B12 Er B24 88.46(8) . 2_665
B14 Er B24 147.21(8) . 2_665
C13 Er B24 117.54(7) . 2_665
C11 Er C21 114.57(7) . .
B15 Er C21 91.54(8) . .
C23 Er C21 56.00(7) . .
B22 Er C21 34.20(8) . .
B25 Er C21 120.06(7) 2_665 .
B12 Er C21 148.65(7) . .
B14 Er C21 105.38(8) . .
C13 Er C21 139.65(7) . .
B24 Er C21 101.33(7) 2_665 .
C11 Er B24 171.51(7) . .
B15 Er B24 141.36(8) . .
C23 Er B24 34.43(7) . .
B22 Er B24 58.42(8) . .
B25 Er B24 75.57(8) 2_665 .
B12 Er B24 153.81(8) . .
B14 Er B24 124.19(8) . .
C13 Er B24 131.31(7) . .
B24 Er B24 86.34(8) 2_665 .
C21 Er B24 57.39(7) . .
C11 Er B25 135.95(7) . .
B15 Er B25 124.11(8) . .
C23 Er B25 57.53(7) . .
B22 Er B25 58.04(8) . .
B25 Er B25 86.26(8) 2_665 .
B12 Er B25 161.02(8) . .
B14 Er B25 136.66(8) . .
C13 Er B25 164.63(7) . .
B24 Er B25 74.68(8) 2_665 .
C21 Er B25 33.92(7) . .
B24 Er B25 35.90(7) . .
O31 K O41 110.28(10) . .
O31 K B14 105.44(9) . .
O41 K B14 125.47(7) . .
O31 K B15 134.90(9) . .
O41 K B15 98.14(7) . .
B14 K B15 31.30(7) . .
O31 K C201 73.83(8) . 2_655
O41 K C201 97.73(7) . 2_655
B14 K C201 131.56(7) . 2_655
B15 K C201 137.13(8) . 2_655
O31 K C105 69.98(9) . 2_666
O41 K C105 74.32(7) . 2_666
B14 K C105 81.09(8) . 2_666
B15 K C105 85.78(8) . 2_666
C201 K C105 136.93(9) 2_655 2_666
C11 Si11 C102 109.82(13) . .
C11 Si11 C101 110.43(14) . .
C102 Si11 C101 108.70(19) . .
C11 Si11 C103 111.01(15) . .
C102 Si11 C103 107.84(19) . .
C101 Si11 C103 109.0(2) . .
C13 Si12 C104 113.05(12) . .
C13 Si12 C105 109.82(12) . .
C104 Si12 C105 106.93(15) . .
C13 Si12 C106 109.97(12) . .
C104 Si12 C106 108.36(15) . .
C105 Si12 C106 108.59(16) . .
C203 Si21 C21 111.59(12) . .
C203 Si21 C202 108.61(15) . .
C21 Si21 C202 111.61(12) . .
C203 Si21 C201 108.78(15) . .
C21 Si21 C201 108.32(12) . .
C202 Si21 C201 107.82(15) . .
C23 Si22 C204 108.82(12) . .
C23 Si22 C206 110.34(12) . .
C204 Si22 C206 109.42(15) . .
C23 Si22 C205 111.05(12) . .
C204 Si22 C205 108.89(16) . .
C206 Si22 C205 108.29(15) . .
B12 C11 B15 112.3(2) . .
B12 C11 B16 65.92(16) . .
B15 C11 B16 64.64(16) . .
B12 C11 Si11 123.84(18) . .
B15 C11 Si11 121.80(17) . .
B16 C11 Si11 125.23(15) . .
B12 C11 Er 74.35(12) . .
B15 C11 Er 72.66(12) . .
B16 C11 Er 100.70(13) . .
Si11 C11 Er 133.99(11) . .
C11 B12 C13 105.0(2) . .
C11 B12 B16 60.85(15) . .
C13 B12 B16 61.03(15) . .
C11 B12 Er 71.18(12) . .
C13 B12 Er 73.22(12) . .
B16 B12 Er 96.94(14) . .
B12 C13 B14 112.6(2) . .
B12 C13 B16 65.59(16) . .
B14 C13 B16 65.01(16) . .
B12 C13 Si12 120.59(17) . .
B14 C13 Si12 123.53(17) . .
B16 C13 Si12 121.81(15) . .
B12 C13 Er 72.51(12) . .
B14 C13 Er 72.52(12) . .
B16 C13 Er 98.41(13) . .
Si12 C13 Er 139.76(11) . .
C13 B14 B15 104.8(2) . .
C13 B14 B16 61.17(15) . .
B15 B14 B16 61.52(16) . .
C13 B14 Er 73.07(12) . .
B15 B14 Er 70.30(13) . .
B16 B14 Er 97.14(14) . .
C13 B14 K 172.79(16) . .
B15 B14 K 76.10(13) . .
B16 B14 K 114.22(14) . .
Er B14 K 113.69(9) . .
C11 B15 B14 105.2(2) . .
C11 B15 B16 61.05(16) . .
B14 B15 B16 62.18(16) . .
C11 B15 Er 72.17(12) . .
B14 B15 Er 72.95(12) . .
B16 B15 Er 98.88(14) . .
C11 B15 K 172.63(17) . .
B14 B15 K 72.60(13) . .
B16 B15 K 112.31(15) . .
Er B15 K 113.22(9) . .
C11 B16 C13 93.37(17) . .
C11 B16 B15 54.30(14) . .
C13 B16 B15 95.52(17) . .
C11 B16 B14 95.90(17) . .
C13 B16 B14 53.82(14) . .
B15 B16 B14 56.30(14) . .
C11 B16 B12 53.22(14) . .
C13 B16 B12 53.37(14) . .
B15 B16 B12 95.02(18) . .
B14 B16 B12 94.93(17) . .
B22 C21 B25 111.81(19) . .
B22 C21 B26 64.96(16) . .
B25 C21 B26 65.06(15) . .
B22 C21 Si21 123.17(17) . .
B25 C21 Si21 122.07(17) . .
B26 C21 Si21 122.98(15) . .
B22 C21 Er 71.84(12) . .
B25 C21 Er 74.05(12) . .
B26 C21 Er 99.55(13) . .
Si21 C21 Er 137.46(11) . .
C23 B22 C21 105.4(2) . .
C23 B22 B26 61.41(15) . .
C21 B22 B26 61.84(15) . .
C23 B22 Er 71.89(12) . .
C21 B22 Er 73.95(13) . .
B26 B22 Er 99.36(14) . .
B22 C23 B24 112.20(19) . .
B22 C23 B26 65.33(16) . .
B24 C23 B26 65.01(15) . .
B22 C23 Si22 123.09(17) . .
B24 C23 Si22 122.88(16) . .
B26 C23 Si22 126.31(15) . .
B22 C23 Er 73.61(12) . .
B24 C23 Er 74.84(12) . .
B26 C23 Er 101.98(13) . .
Si22 C23 Er 131.71(11) . .
C23 B24 B25 105.06(19) . .
C23 B24 B26 61.37(15) . .
B25 B24 B26 62.32(15) . .
C23 B24 Er 164.27(16) . 2_665
B25 B24 Er 70.89(13) . 2_665
B26 B24 Er 125.15(15) . 2_665
C23 B24 Er 70.73(12) . .
B25 B24 Er 72.86(12) . .
B26 B24 Er 98.23(13) . .
Er B24 Er 93.66(8) 2_665 .
C21 B25 B24 105.51(19) . .
C21 B25 B26 61.66(15) . .
B24 B25 B26 61.80(15) . .
C21 B25 Er 165.13(16) . 2_665
B24 B25 Er 72.78(13) . 2_665
B26 B25 Er 126.33(15) . 2_665
C21 B25 Er 72.03(12) . .
B24 B25 Er 71.23(12) . .
B26 B25 Er 97.13(13) . .
Er B25 Er 93.74(8) 2_665 .
C23 B26 C21 92.80(16) . .
C23 B26 B24 53.62(13) . .
C21 B26 B24 94.89(16) . .
C23 B26 B22 53.26(14) . .
C21 B26 B22 53.20(14) . .
B24 B26 B22 94.55(17) . .
C23 B26 B25 94.64(17) . .
C21 B26 B25 53.28(13) . .
B24 B26 B25 55.88(14) . .
B22 B26 B25 94.10(17) . .
C35 O31 C32 107.7(5) . .
C35 O31 K 124.7(5) . .
C32 O31 K 126.4(3) . .
O31 C32 C33 103.8(5) . .
C34 C33 C32 107.7(6) . .
C35 C34 C33 105.5(6) . .
O31 C35 C34 113.4(7) . .
C45 O41 C42 108.8(2) . .
C45 O41 K 120.95(18) . .
C42 O41 K 123.04(18) . .
O41 C42 C43 106.7(3) . .
C44 C43 C42 104.3(4) . .
C43 C44 C45 103.9(3) . .
O41 C45 C44 106.3(3) . .
Si12 C105 K 163.82(17) . 2_666
Si21 C201 K 164.68(16) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er C11 2.616(2) .
Er B15 2.623(3) .
Er C23 2.623(2) .
Er B22 2.648(3) .
Er B25 2.649(3) 2_665
Er B12 2.661(3) .
Er B14 2.663(3) .
Er C13 2.671(2) .
Er B24 2.678(3) 2_665
Er C21 2.678(2) .
Er B24 2.682(2) .
Er B25 2.707(2) .
K O31 2.637(3) .
K O41 2.665(2) .
K B14 3.062(3) .
K B15 3.115(3) .
K C201 3.446(3) 2_655
K C105 3.486(3) 2_666
Si11 C11 1.847(2) .
Si11 C102 1.863(3) .
Si11 C101 1.864(3) .
Si11 C103 1.866(4) .
Si12 C13 1.861(2) .
Si12 C104 1.870(3) .
Si12 C105 1.871(3) .
Si12 C106 1.872(3) .
Si21 C203 1.859(3) .
Si21 C21 1.864(2) .
Si21 C202 1.869(3) .
Si21 C201 1.875(3) .
Si22 C23 1.863(2) .
Si22 C204 1.863(3) .
Si22 C206 1.865(3) .
Si22 C205 1.867(3) .
C11 B12 1.564(4) .
C11 B15 1.583(4) .
C11 B16 1.706(4) .
B12 C13 1.571(4) .
B12 B16 1.783(4) .
C13 B14 1.578(4) .
C13 B16 1.713(3) .
B14 B15 1.667(4) .
B14 B16 1.772(4) .
B15 B16 1.761(4) .
C21 B22 1.567(4) .
C21 B25 1.571(3) .
C21 B26 1.725(3) .
B22 C23 1.563(3) .
B22 B26 1.773(4) .
C23 B24 1.571(3) .
C23 B26 1.713(3) .
B24 B25 1.661(3) .
B24 B26 1.769(4) .
B24 Er 2.678(3) 2_665
B25 B26 1.777(4) .
B25 Er 2.649(3) 2_665
O31 C35 1.331(7) .
O31 C32 1.475(6) .
C32 C33 1.488(8) .
C33 C34 1.438(10) .
C34 C35 1.408(8) .
O41 C45 1.429(4) .
O41 C42 1.439(4) .
C42 C43 1.495(6) .
C43 C44 1.476(6) .
C44 C45 1.483(5) .
C105 K 3.486(3) 2_666
C201 K 3.446(3) 2_655
