#------------------------------------------------------------------------------
#$Date: 2019-11-23 12:47:42 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233341 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/58/7235805.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_7235805
loop_
_publ_author_name
'Singha, Debal Kanti'
'Bhattacharya, Saurav'
'Majee, Prakash'
'Mondal, Sudip Kumar'
'Kumar, Manoranjan'
'Mahata, Partha'
_publ_section_title
;
 Optical detection of submicromolar levels of nitro explosives by a
 submicron sized metal--organic phosphor material
;
_journal_issue                   48
_journal_name_full               'J. Mater. Chem. A'
_journal_page_first              20908
_journal_paper_doi               10.1039/C4TA05014B
_journal_volume                  2
_journal_year                    2014
_chemical_formula_sum            'C30 H30 N0 O15 Y2'
_chemical_formula_weight         808.36
_chemical_name_common            'Yttrium carboxylate'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/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                 91.401(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.625(3)
_cell_length_b                   10.0060(13)
_cell_length_c                   14.0570(17)
_cell_measurement_reflns_used    7009
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.63
_cell_measurement_theta_min      1.88
_cell_volume                     3040.7(7)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'Ortep-3 for Windows (Farrugia, 1999) and CAMERON (Watkin et al., 1993)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_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  0.0775
_diffrn_reflns_av_sigmaI/netI    0.0886
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27938
_diffrn_reflns_theta_full        27.63
_diffrn_reflns_theta_max         27.63
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    3.874
_exptl_absorpt_correction_T_max  0.7732
_exptl_absorpt_correction_T_min  0.6535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'Light yellow'
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Brick shaped'
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.634
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     448
_refine_ls_number_reflns         7009
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0462
_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)+(0.0337P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0815
_refine_ls_wR_factor_ref         0.0940
_reflns_number_gt                4658
_reflns_number_total             7009
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ta05014b2.cif
_cod_data_source_block           compound(1)
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3040.8(6)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7235805
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Y1 Y 0.249283(15) 0.75300(3) 0.02660(2) 0.02144(10) Uani 1 1 d .
Y2 Y 0.258864(15) 0.56526(3) 0.27214(2) 0.02143(10) Uani 1 1 d .
O1 O 0.28471(13) 0.5773(3) -0.07040(19) 0.0420(7) Uani 1 1 d .
O2 O 0.30985(11) 0.7638(3) -0.1383(2) 0.0380(7) Uani 1 1 d .
O3 O 0.67759(12) 0.3201(3) -0.13399(19) 0.0432(8) Uani 1 1 d .
O4 O 0.64000(14) 0.4852(3) -0.2150(2) 0.0561(9) Uani 1 1 d .
O5 O 0.21175(14) 0.7642(3) 0.2283(3) 0.0776(12) Uani 1 1 d .
O6 O 0.19019(13) 0.9004(3) 0.1143(2) 0.0538(9) Uani 1 1 d .
O7 O -0.15067(13) 1.0161(3) 0.2002(2) 0.0634(10) Uani 1 1 d .
O8 O -0.19869(10) 1.1248(3) 0.08897(17) 0.0324(6) Uani 1 1 d .
O9 O 0.31041(13) 0.9339(3) 0.03400(18) 0.0447(8) Uani 1 1 d .
O10 O 0.30857(11) 1.0462(2) -0.10196(17) 0.0321(6) Uani 1 1 d .
O11 O 0.15705(11) 0.6333(3) 0.0090(2) 0.0440(8) Uani 1 1 d .
O12 O 0.21777(11) 0.5406(3) 0.11471(17) 0.0366(7) Uani 1 1 d .
O13 O 0.25103(18) 0.3328(3) 0.2475(2) 0.0676(11) Uani 1 1 d D
C1 C 0.30836(16) 0.6383(4) -0.1386(3) 0.0293(9) Uani 1 1 d .
C2 C 0.33740(17) 0.5596(4) -0.2176(2) 0.0323(9) Uani 1 1 d .
H2A H 0.3386 0.6136 -0.2748 0.039 Uiso 1 1 calc R
H2B H 0.3129 0.4804 -0.2315 0.039 Uiso 1 1 calc R
C3 C 0.40240(17) 0.5194(4) -0.1872(2) 0.0281(9) Uani 1 1 d .
C4 C 0.41672(19) 0.3873(4) -0.1697(3) 0.0406(10) Uani 1 1 d .
H4 H 0.3870 0.3212 -0.1794 0.049 Uiso 1 1 calc R
C5 C 0.4756(2) 0.3536(5) -0.1378(3) 0.0526(13) Uani 1 1 d .
H5 H 0.4846 0.2643 -0.1256 0.063 Uiso 1 1 calc R
C6 C 0.52089(18) 0.4471(5) -0.1235(3) 0.0464(12) Uani 1 1 d .
C7 C 0.50670(19) 0.5777(4) -0.1436(3) 0.0468(12) Uani 1 1 d .
H7 H 0.5370 0.6429 -0.1357 0.056 Uiso 1 1 calc R
C8 C 0.44806(18) 0.6142(4) -0.1752(3) 0.0383(10) Uani 1 1 d .
H8 H 0.4394 0.7034 -0.1886 0.046 Uiso 1 1 calc R
C9 C 0.58317(19) 0.4070(6) -0.0817(3) 0.0707(17) Uani 1 1 d .
H9A H 0.5937 0.4682 -0.0302 0.085 Uiso 1 1 calc R
H9B H 0.5793 0.3186 -0.0541 0.085 Uiso 1 1 calc R
C10 C 0.63557(17) 0.4048(4) -0.1489(3) 0.0347(10) Uani 1 1 d .
C11 C 0.18247(16) 0.8616(4) 0.1970(3) 0.0313(9) Uani 1 1 d .
C12 C 0.13957(17) 0.9362(4) 0.2591(3) 0.0405(11) Uani 1 1 d .
H12A H 0.1603 1.0158 0.2830 0.049 Uiso 1 1 calc R
H12B H 0.1297 0.8808 0.3133 0.049 Uiso 1 1 calc R
C13 C 0.08020(16) 0.9765(4) 0.2076(2) 0.0269(9) Uani 1 1 d .
C14 C 0.03773(18) 0.8807(4) 0.1798(3) 0.0354(10) Uani 1 1 d .
H14 H 0.0465 0.7911 0.1915 0.042 Uiso 1 1 calc R
C15 C -0.01765(18) 0.9151(4) 0.1350(3) 0.0361(10) Uani 1 1 d .
H15 H -0.0457 0.8487 0.1172 0.043 Uiso 1 1 calc R
C16 C -0.03154(16) 1.0473(4) 0.1165(2) 0.0315(9) Uani 1 1 d .
C17 C 0.01135(17) 1.1423(4) 0.1424(3) 0.0348(10) Uani 1 1 d .
H17 H 0.0034 1.2317 0.1287 0.042 Uiso 1 1 calc R
C18 C 0.06648(17) 1.1072(4) 0.1886(3) 0.0319(9) Uani 1 1 d .
H18 H 0.0944 1.1736 0.2069 0.038 Uiso 1 1 calc R
C19 C -0.09120(16) 1.0868(4) 0.0658(3) 0.0427(11) Uani 1 1 d .
H19A H -0.0876 1.1791 0.0454 0.051 Uiso 1 1 calc R
H19B H -0.0960 1.0324 0.0090 0.051 Uiso 1 1 calc R
C20 C -0.14880(17) 1.0736(4) 0.1223(3) 0.0319(9) Uani 1 1 d .
C21 C 0.32784(17) 1.0255(3) -0.0190(3) 0.0261(8) Uani 1 1 d .
C22 C 0.37804(16) 1.1166(4) 0.0216(3) 0.0317(9) Uani 1 1 d .
H22A H 0.3766 1.2018 -0.0114 0.038 Uiso 1 1 calc R
H22B H 0.3708 1.1330 0.0884 0.038 Uiso 1 1 calc R
C23 C 0.44095(16) 1.0541(3) 0.0109(3) 0.0267(8) Uani 1 1 d .
C24 C 0.45888(18) 1.0028(4) -0.0765(3) 0.0330(9) Uani 1 1 d .
H24 H 0.4313 1.0049 -0.1284 0.040 Uiso 1 1 calc R
C25 C 0.48300(18) 1.0509(4) 0.0867(3) 0.0371(10) Uani 1 1 d .
H25 H 0.4719 1.0854 0.1453 0.045 Uiso 1 1 calc R
C26 C 0.16673(16) 0.5428(4) 0.0687(2) 0.0248(8) Uani 1 1 d .
C27 C 0.11968(16) 0.4365(4) 0.0839(3) 0.0329(9) Uani 1 1 d .
H27A H 0.1155 0.4229 0.1518 0.039 Uiso 1 1 calc R
H27B H 0.1345 0.3535 0.0570 0.039 Uiso 1 1 calc R
C28 C 0.05743(17) 0.4674(3) 0.0408(3) 0.0279(9) Uani 1 1 d .
C29 C 0.04385(17) 0.4413(3) -0.0544(3) 0.0307(9) Uani 1 1 d .
H29 H 0.0737 0.4016 -0.0917 0.037 Uiso 1 1 calc R
C30 C 0.01269(17) 0.5271(4) 0.0945(3) 0.0305(9) Uani 1 1 d .
H30 H 0.0209 0.5461 0.1584 0.037 Uiso 1 1 calc R
O100 O 0.2390(3) 0.3169(4) -0.0874(3) 0.0937(15) Uani 1 1 d D
O200 O 0.2215(3) 0.1777(4) 0.0932(3) 0.0777(12) Uani 1 1 d D
H13A H 0.239(2) 0.281(4) 0.194(2) 0.10(2) Uiso 1 1 d D
H13B H 0.247(3) 0.277(5) 0.302(3) 0.12(2) Uiso 1 1 d D
H101 H 0.249(2) 0.399(2) -0.084(4) 0.09(2) Uiso 1 1 d D
H102 H 0.240(3) 0.274(6) -0.036(3) 0.17(4) Uiso 1 1 d D
H201 H 0.245(3) 0.113(5) 0.106(6) 0.17(4) Uiso 1 1 d D
H202 H 0.195(2) 0.124(6) 0.073(5) 0.13(3) Uiso 1 1 d D
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'
Y Y -2.7962 3.5667 '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
O9 Y1 O3 80.19(10) . 3_665
O9 Y1 O8 82.70(9) . 3_575
O3 Y1 O8 162.29(9) 3_665 3_575
O9 Y1 O6 78.13(11) . .
O3 Y1 O6 103.50(10) 3_665 .
O8 Y1 O6 77.20(10) 3_575 .
O9 Y1 O11 156.96(10) . .
O3 Y1 O11 118.86(9) 3_665 .
O8 Y1 O11 78.85(9) 3_575 .
O6 Y1 O11 84.40(11) . .
O9 Y1 O1 115.34(10) . .
O3 Y1 O1 85.07(9) 3_665 .
O8 Y1 O1 98.27(10) 3_575 .
O6 Y1 O1 165.42(10) . .
O11 Y1 O1 81.11(10) . .
O9 Y1 O12 144.21(8) . .
O3 Y1 O12 66.55(9) 3_665 .
O8 Y1 O12 131.15(8) 3_575 .
O6 Y1 O12 96.53(10) . .
O11 Y1 O12 52.31(8) . .
O1 Y1 O12 75.86(9) . .
O9 Y1 O2 73.07(9) . .
O3 Y1 O2 103.82(9) 3_665 .
O8 Y1 O2 66.53(8) 3_575 .
O6 Y1 O2 135.76(10) . .
O11 Y1 O2 111.21(9) . .
O1 Y1 O2 50.35(8) . .
O12 Y1 O2 126.20(8) . .
O9 Y1 C26 164.61(10) . .
O3 Y1 C26 93.09(10) 3_665 .
O8 Y1 C26 104.62(9) 3_575 .
O6 Y1 C26 90.16(11) . .
O11 Y1 C26 25.77(9) . .
O1 Y1 C26 77.47(10) . .
O12 Y1 C26 26.54(8) . .
O2 Y1 C26 122.18(9) . .
O9 Y1 C1 94.91(11) . .
O3 Y1 C1 95.22(10) 3_665 .
O8 Y1 C1 81.72(10) 3_575 .
O6 Y1 C1 158.45(11) . .
O11 Y1 C1 95.95(11) . .
O1 Y1 C1 24.85(10) . .
O12 Y1 C1 100.70(10) . .
O2 Y1 C1 25.51(9) . .
C26 Y1 C1 99.50(11) . .
O9 Y1 C11 88.04(10) . .
O3 Y1 C11 85.87(10) 3_665 .
O8 Y1 C11 98.09(10) 3_575 .
O6 Y1 C11 22.19(10) . .
O11 Y1 C11 81.08(10) . .
O1 Y1 C11 152.94(10) . .
O12 Y1 C11 77.14(10) . .
O2 Y1 C11 156.63(9) . .
C26 Y1 C11 77.62(10) . .
C1 Y1 C11 176.99(10) . .
O9 Y1 Y2 109.07(6) . .
O3 Y1 Y2 40.93(7) 3_665 .
O8 Y1 Y2 153.14(6) 3_575 .
O6 Y1 Y2 81.68(8) . .
O11 Y1 Y2 82.78(6) . .
O1 Y1 Y2 98.06(7) . .
O12 Y1 Y2 35.66(5) . .
O2 Y1 Y2 139.37(5) . .
C26 Y1 Y2 58.74(7) . .
C1 Y1 Y2 119.80(8) . .
C11 Y1 Y2 59.53(8) . .
O5 Y2 O10 143.66(12) . 4_576
O5 Y2 O13 141.31(12) . .
O10 Y2 O13 70.72(10) 4_576 .
O5 Y2 O12 71.89(12) . .
O10 Y2 O12 144.27(9) 4_576 .
O13 Y2 O12 74.75(10) . .
O5 Y2 O2 73.59(10) . 4_576
O10 Y2 O2 75.11(9) 4_576 4_576
O13 Y2 O2 144.89(10) . 4_576
O12 Y2 O2 136.48(9) . 4_576
O5 Y2 O4 119.39(12) . 3_665
O10 Y2 O4 75.32(9) 4_576 3_665
O13 Y2 O4 78.82(13) . 3_665
O12 Y2 O4 89.40(10) . 3_665
O2 Y2 O4 85.08(10) 4_576 3_665
O5 Y2 O7 78.31(12) . 2_545
O10 Y2 O7 102.08(11) 4_576 2_545
O13 Y2 O7 75.99(13) . 2_545
O12 Y2 O7 77.81(9) . 2_545
O2 Y2 O7 119.74(9) 4_576 2_545
O4 Y2 O7 153.97(11) 3_665 2_545
O5 Y2 O8 76.31(12) . 2_545
O10 Y2 O8 75.82(8) 4_576 2_545
O13 Y2 O8 108.66(12) . 2_545
O12 Y2 O8 125.04(8) . 2_545
O2 Y2 O8 69.59(9) 4_576 2_545
O4 Y2 O8 145.55(9) 3_665 2_545
O7 Y2 O8 52.32(8) 2_545 2_545
O5 Y2 O3 70.56(11) . 3_665
O10 Y2 O3 121.49(8) 4_576 3_665
O13 Y2 O3 110.74(11) . 3_665
O12 Y2 O3 63.53(8) . 3_665
O2 Y2 O3 80.53(9) 4_576 3_665
O4 Y2 O3 49.99(8) 3_665 3_665
O7 Y2 O3 135.97(10) 2_545 3_665
O8 Y2 O3 140.38(9) 2_545 3_665
O5 Y2 C20 75.17(12) . 2_545
O10 Y2 C20 89.67(10) 4_576 2_545
O13 Y2 C20 92.74(13) . 2_545
O12 Y2 C20 100.99(10) . 2_545
O2 Y2 C20 94.93(10) 4_576 2_545
O4 Y2 C20 164.50(10) 3_665 2_545
O7 Y2 C20 25.74(9) 2_545 2_545
O8 Y2 C20 26.60(9) 2_545 2_545
O3 Y2 C20 145.33(9) 3_665 2_545
O5 Y2 C10 95.73(12) . 3_665
O10 Y2 C10 98.45(10) 4_576 3_665
O13 Y2 C10 93.93(13) . 3_665
O12 Y2 C10 74.80(10) . 3_665
O2 Y2 C10 83.17(10) 4_576 3_665
O4 Y2 C10 24.50(9) 3_665 3_665
O7 Y2 C10 152.45(10) 2_545 3_665
O8 Y2 C10 152.75(10) 2_545 3_665
O3 Y2 C10 25.53(8) 3_665 3_665
C20 Y2 C10 170.84(11) 2_545 3_665
O5 Y2 Y1 48.81(10) . .
O10 Y2 Y1 155.28(7) 4_576 .
O13 Y2 Y1 109.91(8) . .
O12 Y2 Y1 38.89(6) . .
O2 Y2 Y1 97.75(6) 4_576 .
O4 Y2 Y1 80.55(7) 3_665 .
O7 Y2 Y1 101.95(8) 2_545 .
O8 Y2 Y1 124.52(6) 2_545 .
O3 Y2 Y1 34.07(5) 3_665 .
C20 Y2 Y1 114.73(8) 2_545 .
C10 Y2 Y1 56.92(8) 3_665 .
C1 O1 Y1 102.9(2) . .
C1 O2 Y2 134.9(2) . 4_575
C1 O2 Y1 87.1(2) . .
Y2 O2 Y1 104.81(9) 4_575 .
C10 O3 Y1 144.5(3) . 3_665
C10 O3 Y2 88.4(2) . 3_665
Y1 O3 Y2 105.00(10) 3_665 3_665
C10 O4 Y2 101.7(2) . 3_665
C11 O5 Y2 172.3(3) . .
C11 O6 Y1 112.7(3) . .
C20 O7 Y2 95.7(2) . 2
C20 O8 Y1 149.5(2) . 3_575
C20 O8 Y2 94.1(2) . 2
Y1 O8 Y2 116.23(10) 3_575 2
C21 O9 Y1 138.9(2) . .
C21 O10 Y2 140.2(2) . 4_575
C26 O11 Y1 99.9(2) . .
C26 O12 Y2 140.8(2) . .
C26 O12 Y1 88.7(2) . .
Y2 O12 Y1 105.45(9) . .
O1 C1 O2 119.6(4) . .
O1 C1 C2 119.5(4) . .
O2 C1 C2 120.8(4) . .
O1 C1 Y1 52.26(19) . .
O2 C1 Y1 67.4(2) . .
C2 C1 Y1 171.8(3) . .
C1 C2 C3 109.3(3) . .
C8 C3 C4 118.8(3) . .
C8 C3 C2 120.7(3) . .
C4 C3 C2 120.5(4) . .
C3 C4 C5 119.5(4) . .
C6 C5 C4 122.2(4) . .
C5 C6 C7 117.8(4) . .
C5 C6 C9 120.4(4) . .
C7 C6 C9 121.8(5) . .
C6 C7 C8 121.1(4) . .
C3 C8 C7 120.5(4) . .
C10 C9 C6 116.1(4) . .
O4 C10 O3 119.7(4) . .
O4 C10 C9 122.7(4) . .
O3 C10 C9 117.5(4) . .
O4 C10 Y2 53.8(2) . 3_665
O3 C10 Y2 66.1(2) . 3_665
C9 C10 Y2 172.8(3) . 3_665
O5 C11 O6 120.0(4) . .
O5 C11 C12 120.5(4) . .
O6 C11 C12 119.5(4) . .
O5 C11 Y1 75.5(3) . .
O6 C11 Y1 45.1(2) . .
C12 C11 Y1 163.5(3) . .
C11 C12 C13 112.8(3) . .
C18 C13 C14 118.1(3) . .
C18 C13 C12 121.7(4) . .
C14 C13 C12 120.2(4) . .
C13 C14 C15 121.4(4) . .
C16 C15 C14 120.4(4) . .
C17 C16 C15 118.2(3) . .
C17 C16 C19 120.5(4) . .
C15 C16 C19 121.2(4) . .
C16 C17 C18 121.1(4) . .
C13 C18 C17 120.9(4) . .
C20 C19 C16 116.0(3) . .
O7 C20 O8 117.8(3) . .
O7 C20 C19 123.7(3) . .
O8 C20 C19 118.5(3) . .
O7 C20 Y2 58.5(2) . 2
O8 C20 Y2 59.35(18) . 2
C19 C20 Y2 176.6(3) . 2
O9 C21 O10 125.7(3) . .
O9 C21 C22 116.2(3) . .
O10 C21 C22 118.1(3) . .
C23 C22 C21 110.6(3) . .
C25 C23 C24 118.6(3) . .
C25 C23 C22 120.6(3) . .
C24 C23 C22 120.7(3) . .
C25 C24 C23 120.6(3) 3_675 .
C24 C25 C23 120.8(4) 3_675 .
O11 C26 O12 119.0(3) . .
O11 C26 C27 120.6(3) . .
O12 C26 C27 120.3(3) . .
O11 C26 Y1 54.32(18) . .
O12 C26 Y1 64.72(19) . .
C27 C26 Y1 174.9(2) . .
C26 C27 C28 113.9(3) . .
C30 C28 C29 118.4(3) . .
C30 C28 C27 120.3(3) . .
C29 C28 C27 121.3(4) . .
C30 C29 C28 121.3(4) 3_565 .
C29 C30 C28 120.4(4) 3_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 O9 2.242(3) .
Y1 O3 2.280(2) 3_665
Y1 O8 2.290(2) 3_575
Y1 O6 2.325(3) .
Y1 O11 2.334(2) .
Y1 O1 2.364(2) .
Y1 O12 2.560(3) .
Y1 O2 2.693(3) .
Y1 C26 2.831(4) .
Y1 C1 2.914(4) .
Y1 C11 3.029(4) .
Y1 Y2 3.9306(6) .
Y2 O5 2.312(3) .
Y2 O10 2.332(2) 4_576
Y2 O13 2.357(3) .
Y2 O12 2.377(2) .
Y2 O2 2.379(3) 4_576
Y2 O4 2.402(3) 3_665
Y2 O7 2.432(3) 2_545
Y2 O8 2.446(2) 2_545
Y2 O3 2.666(3) 3_665
Y2 C20 2.837(4) 2_545
Y2 C10 2.915(4) 3_665
O1 C1 1.256(4) .
O2 C1 1.257(4) .
O2 Y2 2.379(3) 4_575
O3 C10 1.257(4) .
O3 Y1 2.280(2) 3_665
O3 Y2 2.666(3) 3_665
O4 C10 1.234(4) .
O4 Y2 2.402(3) 3_665
O5 C11 1.238(4) .
O6 C11 1.241(5) .
O7 C20 1.238(4) .
O7 Y2 2.432(3) 2
O8 C20 1.273(4) .
O8 Y1 2.290(2) 3_575
O8 Y2 2.446(2) 2
O9 C21 1.245(4) .
O10 C21 1.246(4) .
O10 Y2 2.332(2) 4_575
O11 C26 1.249(4) .
O12 C26 1.265(4) .
C1 C2 1.510(5) .
C2 C3 1.513(5) .
C3 C8 1.376(5) .
C3 C4 1.379(5) .
C4 C5 1.380(5) .
C5 C6 1.366(6) .
C6 C7 1.370(5) .
C6 C9 1.510(5) .
C7 C8 1.383(5) .
C9 C10 1.494(6) .
C10 Y2 2.915(4) 3_665
C11 C12 1.490(5) .
C12 C13 1.513(5) .
C13 C18 1.366(5) .
C13 C14 1.377(5) .
C14 C15 1.383(5) .
C15 C16 1.380(5) .
C16 C17 1.371(5) .
C16 C19 1.511(5) .
C17 C18 1.389(5) .
C19 C20 1.500(5) .
C20 Y2 2.837(4) 2
C21 C22 1.518(5) .
C22 C23 1.508(5) .
C23 C25 1.385(5) .
C23 C24 1.395(5) .
C24 C25 1.378(5) 3_675
C25 C24 1.378(5) 3_675
C26 C27 1.491(5) .
C27 C28 1.495(5) .
C28 C30 1.378(5) .
C28 C29 1.389(5) .
C29 C30 1.371(5) 3_565
C30 C29 1.371(5) 3_565
