#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:34:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180268 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/54/7115428.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_7115428
loop_
_publ_author_name
'Alexander V. Anyushin'
'Anton I. Smolentsev'
'Dmitry A. Mainichev'
'Cristian Vicent'
'Artem L. Gushchin'
'Maxim N. Sokolov'
'Vladimir P. Fedin'
_publ_section_title
;
 Synthesis and characterization of a new Keggin anion: [BeW12O40]⁶⁻
;
_journal_name_full               Chem.Commun.
_journal_page_first              9083
_journal_paper_doi               10.1039/C4cc02456G
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'Be O40 W12, 6(C2 H8 N), 4(H2 O)'
_chemical_formula_sum            'C12 H56 Be N6 O44 W12'
_chemical_formula_weight         3203.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 105.2180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.1943(3)
_cell_length_b                   19.4817(5)
_cell_length_c                   21.0895(5)
_cell_measurement_reflns_used    9920
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      35.64
_cell_measurement_theta_min      2.32
_cell_volume                     5230.9(2)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2004)'
_computing_publication_material  'SHELXTL (Bruker, 2004)'
_computing_structure_refinement  'SHELXTL (Bruker, 2004)'
_computing_structure_solution    'SHELXTL (Bruker, 2004)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD area-detector'
_diffrn_measurement_method       'φ and 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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            33930
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         35.69
_diffrn_reflns_theta_min         2.09
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    26.376
_exptl_absorpt_correction_T_max  0.3522
_exptl_absorpt_correction_T_min  0.1779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.068
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5656
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.038
_refine_diff_density_min         -2.603
_refine_diff_density_rms         0.389
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         11991
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0057P)²+289.8377P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0892
_refine_ls_wR_factor_ref         0.0923
_reflns_number_gt                10035
_reflns_number_total             11991
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc02456g2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7115428
loop_
_symmetry_equiv_pos_as_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'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W 0.18771(2) 0.239533(15) 0.246491(16) 0.01755(6) Uani 1 1 d .
W2 W 0.24732(2) 0.355630(17) 0.361412(16) 0.01940(6) Uani 1 1 d .
W3 W 0.07593(3) 0.236467(16) 0.367305(16) 0.01819(6) Uani 1 1 d .
W4 W -0.11067(3) 0.371449(16) 0.383376(16) 0.01784(6) Uani 1 1 d .
W5 W 0.05466(3) 0.490858(16) 0.368661(17) 0.01920(6) Uani 1 1 d .
W6 W -0.17917(2) 0.487122(16) 0.268097(17) 0.01853(6) Uani 1 1 d .
O1 O 0.2696(5) 0.1805(3) 0.2238(4) 0.0280(13) Uani 1 1 d .
O1W O 0.4038(9) 0.3619(7) 0.2086(8) 0.089(4) Uani 1 1 d .
O2 O 0.2956(5) 0.2872(3) 0.3089(3) 0.0200(10) Uani 1 1 d .
O2W O 0.429(2) 0.4066(15) 0.0866(13) 0.100(10) Uani 0.61(3) 1 d PU
O3 O 0.1541(5) 0.1866(3) 0.3161(3) 0.0200(11) Uani 1 1 d .
O3W O 0.429(2) 0.3371(19) 0.0921(16) 0.073(11) Uani 0.39(3) 1 d PU
O4 O 0.0985(4) 0.3129(3) 0.2932(3) 0.0153(9) Uani 1 1 d .
O5 O 0.2071(5) 0.2845(3) 0.4112(3) 0.0233(11) Uani 1 1 d .
O6 O 0.2456(5) 0.4184(3) 0.2907(3) 0.0212(11) Uani 1 1 d .
O7 O 0.3673(5) 0.3761(4) 0.4137(4) 0.0322(15) Uani 1 1 d .
O8 O -0.0521(5) 0.2104(3) 0.3090(3) 0.0201(10) Uani 1 1 d .
O9 O 0.0871(6) 0.1745(4) 0.4278(3) 0.0304(14) Uani 1 1 d .
O10 O 0.1614(5) 0.4201(3) 0.3899(3) 0.0211(11) Uani 1 1 d .
O11 O 0.0020(5) 0.3069(3) 0.3996(3) 0.0211(11) Uani 1 1 d .
O12 O -0.0447(4) 0.4142(3) 0.3022(3) 0.0156(9) Uani 1 1 d .
O13 O -0.0159(5) 0.4420(3) 0.4257(3) 0.0208(11) Uani 1 1 d .
O14 O -0.1837(5) 0.3077(3) 0.3177(3) 0.0201(11) Uani 1 1 d .
O15 O -0.1653(6) 0.3522(4) 0.4460(3) 0.0291(14) Uani 1 1 d .
O16 O 0.1113(5) 0.5168(3) 0.2977(3) 0.0215(11) Uani 1 1 d .
O17 O 0.1134(6) 0.5521(4) 0.4253(4) 0.0308(14) Uani 1 1 d .
O18 O -0.0723(5) 0.5403(3) 0.3303(3) 0.0221(11) Uani 1 1 d .
O19 O -0.2100(4) 0.4405(3) 0.3412(3) 0.0195(10) Uani 1 1 d .
O20 O -0.2777(5) 0.5468(3) 0.2576(4) 0.0279(13) Uani 1 1 d .
N1 N 0.3100(9) 0.3852(6) -0.0306(6) 0.053(3) Uani 1 1 d .
H1A H 0.2433 0.3989 -0.0354 0.064 Uiso 1 1 calc R
H1B H 0.3425 0.3855 0.0127 0.064 Uiso 1 1 calc R
N2 N 0.5000 0.1548(7) 0.2500 0.055(4) Uani 1 2 d S
H2A H 0.4440 0.1275 0.2470 0.066 Uiso 0.50 1 calc PR
H2B H 0.5561 0.1275 0.2530 0.066 Uiso 0.50 1 calc PR
N3 N 0.5000 0.5720(6) 0.2500 0.034(3) Uani 1 2 d S
H3A H 0.5561 0.5993 0.2532 0.041 Uiso 0.50 1 calc PR
H3B H 0.4439 0.5993 0.2468 0.041 Uiso 0.50 1 calc PR
N4 N 0.3254(11) 0.1387(8) 0.4722(6) 0.067(4) Uani 1 1 d .
H4A H 0.2688 0.1660 0.4665 0.081 Uiso 1 1 calc R
H4B H 0.3544 0.1348 0.5157 0.081 Uiso 1 1 calc R
C11 C 0.309(2) 0.3149(14) -0.0554(14) 0.121(9) Uani 1 1 d U
H11A H 0.2859 0.3153 -0.1025 0.182 Uiso 1 1 calc R
H11B H 0.2630 0.2872 -0.0380 0.182 Uiso 1 1 calc R
H11C H 0.3792 0.2963 -0.0420 0.182 Uiso 1 1 calc R
C21 C 0.4826(10) 0.1946(6) 0.1894(7) 0.045(3) Uani 1 1 d .
H21A H 0.4256 0.2260 0.1866 0.067 Uiso 1 1 calc R
H21B H 0.4656 0.1641 0.1524 0.067 Uiso 1 1 calc R
H21C H 0.5451 0.2197 0.1894 0.067 Uiso 1 1 calc R
C12 C 0.362(2) 0.4333(15) -0.0638(14) 0.124(9) Uani 1 1 d U
H22A H 0.4367 0.4290 -0.0468 0.185 Uiso 1 1 calc R
H22B H 0.3409 0.4792 -0.0566 0.185 Uiso 1 1 calc R
H22C H 0.3428 0.4236 -0.1100 0.185 Uiso 1 1 calc R
C31 C 0.4832(10) 0.5320(7) 0.1902(6) 0.041(3) Uani 1 1 d .
H31A H 0.5413 0.5013 0.1936 0.062 Uiso 1 1 calc R
H31B H 0.4776 0.5622 0.1535 0.062 Uiso 1 1 calc R
H31C H 0.4196 0.5059 0.1839 0.062 Uiso 1 1 calc R
C41 C 0.2897(14) 0.0693(8) 0.4455(8) 0.065(4) Uani 1 1 d .
H41A H 0.2445 0.0738 0.4018 0.098 Uiso 1 1 calc R
H41B H 0.2519 0.0475 0.4732 0.098 Uiso 1 1 calc R
H41C H 0.3496 0.0419 0.4442 0.098 Uiso 1 1 calc R
C42 C 0.4002(14) 0.1715(10) 0.4430(7) 0.070(5) Uani 1 1 d .
H42A H 0.4561 0.1401 0.4427 0.105 Uiso 1 1 calc R
H42B H 0.4284 0.2115 0.4682 0.105 Uiso 1 1 calc R
H42C H 0.3658 0.1849 0.3988 0.105 Uiso 1 1 calc R
Be1 Be 0.0000 0.3642(7) 0.2500 0.023(3) Uani 1 2 d SU
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'
Be Be 0.0005 0.0002 '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'
W W -0.8490 6.8722 '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
O1 W1 O14 99.9(3) . 2
O1 W1 O2 96.2(3) . .
O14 W1 O2 91.6(3) 2 .
O1 W1 O3 98.0(3) . .
O14 W1 O3 161.6(2) 2 .
O2 W1 O3 90.8(3) . .
O1 W1 O8 100.5(3) . 2
O14 W1 O8 85.7(3) 2 2
O2 W1 O8 163.3(2) . 2
O3 W1 O8 86.8(3) . 2
O1 W1 O4 170.3(3) . .
O14 W1 O4 87.0(2) 2 .
O2 W1 O4 76.6(2) . .
O3 W1 O4 75.8(2) . .
O8 W1 O4 86.8(2) 2 .
O7 W2 O10 99.7(3) . .
O7 W2 O5 99.1(3) . .
O10 W2 O5 91.8(3) . .
O7 W2 O6 99.8(3) . .
O10 W2 O6 86.4(3) . .
O5 W2 O6 161.0(3) . .
O7 W2 O2 98.1(3) . .
O10 W2 O2 161.6(3) . .
O5 W2 O2 89.7(3) . .
O6 W2 O2 86.2(2) . .
O7 W2 O4 171.7(3) . .
O10 W2 O4 87.4(2) . .
O5 W2 O4 76.2(2) . .
O6 W2 O4 84.8(2) . .
O2 W2 O4 75.3(2) . .
O9 W3 O8 100.4(3) . .
O9 W3 O11 101.0(3) . .
O8 W3 O11 88.4(3) . .
O9 W3 O3 96.1(3) . .
O8 W3 O3 91.1(3) . .
O11 W3 O3 162.7(2) . .
O9 W3 O5 95.2(3) . .
O8 W3 O5 164.3(2) . .
O11 W3 O5 87.7(3) . .
O3 W3 O5 88.3(3) . .
O9 W3 O4 167.7(3) . .
O8 W3 O4 89.1(2) . .
O11 W3 O4 86.8(2) . .
O3 W3 O4 75.9(2) . .
O5 W3 O4 75.6(2) . .
O15 W4 O11 100.6(3) . .
O15 W4 O13 98.9(3) . .
O11 W4 O13 90.4(3) . .
O15 W4 O14 100.5(3) . .
O11 W4 O14 85.6(3) . .
O13 W4 O14 160.6(2) . .
O15 W4 O19 97.8(3) . .
O11 W4 O19 161.3(2) . .
O13 W4 O19 89.8(3) . .
O14 W4 O19 88.1(3) . .
O15 W4 O12 171.1(3) . .
O11 W4 O12 86.7(2) . .
O13 W4 O12 75.9(2) . .
O14 W4 O12 85.0(2) . .
O19 W4 O12 75.2(2) . .
O17 W5 O16 99.4(3) . .
O17 W5 O18 97.4(3) . .
O16 W5 O18 90.9(3) . .
O17 W5 O10 99.5(3) . .
O16 W5 O10 87.6(3) . .
O18 W5 O10 163.1(2) . .
O17 W5 O13 96.4(3) . .
O16 W5 O13 164.0(2) . .
O18 W5 O13 90.0(3) . .
O10 W5 O13 86.9(3) . .
O17 W5 O12 170.3(3) . .
O16 W5 O12 88.3(2) . .
O18 W5 O12 76.5(2) . .
O10 W5 O12 86.6(2) . .
O13 W5 O12 76.3(2) . .
O20 W6 O6 101.0(3) . 2
O20 W6 O19 96.3(3) . .
O6 W6 O19 91.9(3) 2 .
O20 W6 O16 100.6(3) . 2
O6 W6 O16 87.8(3) 2 2
O19 W6 O16 162.8(2) . 2
O20 W6 O18 96.7(3) . .
O6 W6 O18 162.1(2) 2 .
O19 W6 O18 88.8(3) . .
O16 W6 O18 86.3(3) 2 .
O20 W6 O12 169.0(3) . .
O6 W6 O12 87.3(2) 2 .
O19 W6 O12 76.1(2) . .
O16 W6 O12 86.7(2) 2 .
O18 W6 O12 75.5(2) . .
W1 O2 W2 115.5(3) . .
W3 O3 W1 114.6(3) . .
Be1 O4 W3 122.9(3) . .
Be1 O4 W1 123.7(3) . .
W3 O4 W1 93.68(19) . .
Be1 O4 W2 122.5(5) . .
W3 O4 W2 93.0(2) . .
W1 O4 W2 92.61(19) . .
W2 O5 W3 115.2(3) . .
W6 O6 W2 150.8(3) 2 .
W3 O8 W1 147.2(3) . 2
W2 O10 W5 149.1(3) . .
W3 O11 W4 148.9(4) . .
Be1 O12 W5 123.3(3) . .
Be1 O12 W6 122.7(3) . .
W5 O12 W6 93.62(19) . .
Be1 O12 W4 123.2(5) . .
W5 O12 W4 92.9(2) . .
W6 O12 W4 92.68(19) . .
W4 O13 W5 114.9(3) . .
W1 O14 W4 152.5(3) 2 .
W5 O16 W6 146.9(3) . 2
W5 O18 W6 114.4(3) . .
W4 O19 W6 116.0(3) . .
C12 N1 C11 113.0(18) . .
C12 N1 H1A 109.0 . .
C11 N1 H1A 109.0 . .
C12 N1 H1B 109.0 . .
C11 N1 H1B 109.0 . .
H1A N1 H1B 107.8 . .
C21 N2 C21 116.0(14) 2_655 .
C21 N2 H2A 108.3 2_655 .
C21 N2 H2A 108.3 . .
C21 N2 H2B 108.3 2_655 .
C21 N2 H2B 108.3 . .
H2A N2 H2B 107.4 . .
C31 N3 C31 115.0(13) 2_655 .
C31 N3 H3A 108.5 2_655 .
C31 N3 H3A 108.5 . .
C31 N3 H3B 108.5 2_655 .
C31 N3 H3B 108.5 . .
H3A N3 H3B 107.5 . .
C42 N4 C41 115.1(13) . .
C42 N4 H4A 108.5 . .
C41 N4 H4A 108.5 . .
C42 N4 H4B 108.5 . .
C41 N4 H4B 108.5 . .
H4A N4 H4B 107.5 . .
N1 C11 H11A 109.5 . .
N1 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
N1 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N2 C21 H21A 109.5 . .
N2 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
N2 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N1 C12 H22A 109.5 . .
N1 C12 H22B 109.5 . .
H22A C12 H22B 109.5 . .
N1 C12 H22C 109.5 . .
H22A C12 H22C 109.5 . .
H22B C12 H22C 109.5 . .
N3 C31 H31A 109.5 . .
N3 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
N3 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
N4 C41 H41A 109.5 . .
N4 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
N4 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
N4 C42 H42A 109.5 . .
N4 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
N4 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
O12 Be1 O12 109.5(9) . 2
O12 Be1 O4 109.8(3) . .
O12 Be1 O4 109.9(3) 2 .
O12 Be1 O4 109.9(3) . 2
O12 Be1 O4 109.8(3) 2 2
O4 Be1 O4 108.1(8) . 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1 1.728(6) .
W1 O14 1.887(6) 2
W1 O2 1.907(6) .
W1 O3 1.938(5) .
W1 O8 1.948(6) 2
W1 O4 2.238(5) .
W2 O7 1.722(7) .
W2 O10 1.894(6) .
W2 O5 1.896(6) .
W2 O6 1.924(6) .
W2 O2 1.944(6) .
W2 O4 2.266(6) .
W3 O9 1.734(6) .
W3 O8 1.879(6) .
W3 O11 1.909(6) .
W3 O3 1.939(6) .
W3 O5 1.972(6) .
W3 O4 2.234(5) .
W4 O15 1.705(6) .
W4 O11 1.909(6) .
W4 O13 1.914(6) .
W4 O14 1.920(6) .
W4 O19 1.926(6) .
W4 O12 2.273(5) .
W5 O17 1.722(6) .
W5 O16 1.907(6) .
W5 O18 1.918(6) .
W5 O10 1.936(6) .
W5 O13 1.952(6) .
W5 O12 2.224(5) .
W6 O20 1.714(6) .
W6 O6 1.878(6) 2
W6 O19 1.923(6) .
W6 O16 1.928(6) 2
W6 O18 1.953(6) .
W6 O12 2.238(5) .
O4 Be1 1.701(10) .
O6 W6 1.878(6) 2
O8 W1 1.948(6) 2
O12 Be1 1.689(10) .
O14 W1 1.887(6) 2
O16 W6 1.928(6) 2
N1 C12 1.45(3) .
N1 C11 1.46(3) .
N1 H1A 0.9000 .
N1 H1B 0.9000 .
N2 C21 1.460(14) 2_655
N2 C21 1.460(14) .
N2 H2A 0.9000 .
N2 H2B 0.9000 .
N3 C31 1.449(13) 2_655
N3 C31 1.449(13) .
N3 H3A 0.9000 .
N3 H3B 0.9000 .
N4 C42 1.44(2) .
N4 C41 1.49(2) .
N4 H4A 0.9000 .
N4 H4B 0.9000 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C12 H22A 0.9600 .
C12 H22B 0.9600 .
C12 H22C 0.9600 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
Be1 O12 1.689(10) 2
Be1 O4 1.701(10) 2
