#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:18:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179747 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/43/7004379.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_7004379
loop_
_publ_author_name
'Wei, Xuehong'
'Cheng, Yanxiang'
'Hitchcock, Peter B.'
'Lappert, Michael F.'
_publ_section_title
;
 Syntheses, structures and reactions of a series of
 β-diketiminatoyttrium compounds
;
_journal_issue                   38
_journal_name_full               'Dalton Transactions'
_journal_page_first              5235
_journal_page_last               5246
_journal_paper_doi               10.1039/b806451b
_journal_year                    2008
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C37 H57 Cl2 N2 O2 Y'
_chemical_formula_sum            'C37 H57 Cl2 N2 O2 Y'
_chemical_formula_weight         721.66
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2003-06-04T15:20:56-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.4162(1)
_cell_length_b                   24.0744(3)
_cell_length_c                   20.4590(2)
_cell_measurement_reflns_used    54481
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      3.705
_cell_measurement_wavelength     0.71073
_cell_volume                     7593.07(13)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.363697E-1
_diffrn_orient_matrix_UB_12      0.179784E-1
_diffrn_orient_matrix_UB_13      0.308149E-1
_diffrn_orient_matrix_UB_21      0.518441E-1
_diffrn_orient_matrix_UB_22      0.303E-3
_diffrn_orient_matrix_UB_23      0.249635E-1
_diffrn_orient_matrix_UB_31      0.140407E-1
_diffrn_orient_matrix_UB_32      0.454507E-1
_diffrn_orient_matrix_UB_33      -0.123555E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0796
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            75616
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         3.72
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    1.709
_exptl_absorpt_correction_T_max  0.5812
_exptl_absorpt_correction_T_min  0.5341
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3056
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.583
_refine_diff_density_min         -0.793
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         6673
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0844
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0137P)²+20.9549P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1041
_refine_ls_wR_factor_ref         0.1127
_reflns_number_gt                5210
_reflns_number_total             6673
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b806451b.txt
_cod_data_source_block           (5a)-jun603
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7004379
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Y Y 0.16073(3) 0.412411(15) 0.13010(2) 0.03693(12) Uani 1 1 d . . .
Cl1 Cl 0.07028(8) 0.40941(5) 0.02588(8) 0.0710(4) Uani 1 1 d . A .
Cl2 Cl 0.20575(10) 0.43821(5) 0.24682(6) 0.0618(4) Uani 1 1 d . A .
O1 O 0.12131(19) 0.50991(11) 0.12564(16) 0.0497(8) Uani 1 1 d . A .
N1 N 0.2101(2) 0.31899(12) 0.13753(14) 0.0286(7) Uani 1 1 d . A .
N2 N 0.2972(2) 0.42093(12) 0.07874(15) 0.0315(7) Uani 1 1 d . A .
C1 C 0.2927(3) 0.30247(15) 0.13535(19) 0.0364(9) Uani 1 1 d . . .
C2 C 0.3624(3) 0.33560(17) 0.1163(2) 0.0419(11) Uani 1 1 d . A .
H2 H 0.4177 0.3197 0.1247 0.05 Uiso 1 1 calc R . .
C3 C 0.3656(2) 0.38795(16) 0.08704(19) 0.0331(9) Uani 1 1 d . . .
C4 C 0.3187(3) 0.24312(17) 0.1531(2) 0.0503(12) Uani 1 1 d . A .
H4C H 0.2675 0.219 0.1512 0.075 Uiso 1 1 calc R . .
H4B H 0.3429 0.2425 0.1974 0.075 Uiso 1 1 calc R . .
H4A H 0.3624 0.2298 0.122 0.075 Uiso 1 1 calc R . .
C5 C 0.4552(3) 0.40481(18) 0.0641(2) 0.0494(12) Uani 1 1 d . A .
H5C H 0.4897 0.4171 0.1017 0.074 Uiso 1 1 calc R . .
H5B H 0.4502 0.4352 0.0325 0.074 Uiso 1 1 calc R . .
H5A H 0.4836 0.373 0.0433 0.074 Uiso 1 1 calc R . .
C6 C 0.1449(3) 0.27756(14) 0.15236(18) 0.0296(9) Uani 1 1 d . . .
C7 C 0.0986(3) 0.25416(16) 0.0996(2) 0.0462(11) Uani 1 1 d . A .
C8 C 0.0336(4) 0.21644(19) 0.1141(3) 0.0649(15) Uani 1 1 d . . .
H8 H 0.0013 0.2005 0.0793 0.078 Uiso 1 1 calc R A .
C9 C 0.0143(3) 0.2014(2) 0.1771(3) 0.0658(15) Uani 1 1 d . A .
H9 H -0.0309 0.1756 0.1856 0.079 Uiso 1 1 calc R . .
C10 C 0.0607(3) 0.22391(18) 0.2281(2) 0.0504(12) Uani 1 1 d . . .
H10 H 0.047 0.2134 0.2716 0.06 Uiso 1 1 calc R A .
C11 C 0.1277(3) 0.26200(16) 0.21711(19) 0.0343(9) Uani 1 1 d . A .
C12 C 0.1217(4) 0.26830(18) 0.0294(2) 0.0619(15) Uani 1 1 d . . .
H12 H 0.1451 0.3071 0.0294 0.074 Uiso 1 1 calc R A .
C13 C 0.0440(5) 0.2677(2) -0.0169(3) 0.100(3) Uani 1 1 d . A .
H13C H 0.0176 0.2307 -0.0167 0.149 Uiso 1 1 calc R . .
H13B H 0.0633 0.2768 -0.0612 0.149 Uiso 1 1 calc R . .
H13A H 0.0013 0.2952 -0.0024 0.149 Uiso 1 1 calc R . .
C14 C 0.1950(5) 0.2301(2) 0.0041(2) 0.093(2) Uani 1 1 d . A .
H14C H 0.2466 0.2348 0.0315 0.139 Uiso 1 1 calc R . .
H14B H 0.209 0.2399 -0.0412 0.139 Uiso 1 1 calc R . .
H14A H 0.1758 0.1913 0.006 0.139 Uiso 1 1 calc R . .
C15 C 0.1791(3) 0.28326(17) 0.27473(19) 0.0425(11) Uani 1 1 d . . .
H15 H 0.2245 0.3094 0.2581 0.051 Uiso 1 1 calc R A .
C16 C 0.2250(4) 0.2347(2) 0.3103(2) 0.0666(15) Uani 1 1 d . A .
H16C H 0.1815 0.2084 0.3265 0.1 Uiso 1 1 calc R . .
H16B H 0.2586 0.2493 0.3472 0.1 Uiso 1 1 calc R . .
H16A H 0.264 0.2157 0.2798 0.1 Uiso 1 1 calc R . .
C17 C 0.1227(4) 0.3144(2) 0.3241(2) 0.0671(16) Uani 1 1 d . A .
H17C H 0.095 0.3461 0.3026 0.101 Uiso 1 1 calc R . .
H17B H 0.159 0.3277 0.3602 0.101 Uiso 1 1 calc R . .
H17A H 0.078 0.2893 0.3412 0.101 Uiso 1 1 calc R . .
C18 C 0.3089(2) 0.47094(16) 0.04061(19) 0.0328(9) Uani 1 1 d . . .
C19 C 0.2883(3) 0.46958(17) -0.0265(2) 0.0390(10) Uani 1 1 d . A .
C20 C 0.2963(3) 0.51861(19) -0.0619(2) 0.0498(12) Uani 1 1 d . . .
H20 H 0.2828 0.5186 -0.1072 0.06 Uiso 1 1 calc R A .
C21 C 0.3233(3) 0.5672(2) -0.0327(2) 0.0533(13) Uani 1 1 d . A .
H21 H 0.3271 0.6004 -0.0576 0.064 Uiso 1 1 calc R . .
C22 C 0.3446(3) 0.56767(18) 0.0327(2) 0.0468(11) Uani 1 1 d . . .
H22 H 0.3635 0.6013 0.0524 0.056 Uiso 1 1 calc R A .
C23 C 0.3391(3) 0.51978(16) 0.0702(2) 0.0368(9) Uani 1 1 d . A .
C24 C 0.2610(3) 0.41616(19) -0.0607(2) 0.0499(11) Uani 1 1 d . . .
H24 H 0.2341 0.3913 -0.0271 0.06 Uiso 1 1 calc R A .
C25 C 0.1933(4) 0.4261(2) -0.1145(3) 0.0813(19) Uani 1 1 d . A .
H25C H 0.1416 0.4433 -0.0955 0.122 Uiso 1 1 calc R . .
H25B H 0.1775 0.3905 -0.1346 0.122 Uiso 1 1 calc R . .
H25A H 0.2177 0.4508 -0.1479 0.122 Uiso 1 1 calc R . .
C26 C 0.3389(4) 0.3856(3) -0.0895(3) 0.0863(19) Uani 1 1 d . A .
H26C H 0.3675 0.4094 -0.1218 0.129 Uiso 1 1 calc R . .
H26B H 0.3193 0.3514 -0.1107 0.129 Uiso 1 1 calc R . .
H26A H 0.3799 0.3765 -0.0545 0.129 Uiso 1 1 calc R . .
C27 C 0.3698(3) 0.52205(18) 0.1404(2) 0.0507(12) Uani 1 1 d . . .
H27 H 0.3622 0.4843 0.16 0.061 Uiso 1 1 calc R A .
C28 C 0.4674(4) 0.5371(2) 0.1432(3) 0.0843(19) Uani 1 1 d . A .
H28C H 0.5009 0.5093 0.1191 0.126 Uiso 1 1 calc R . .
H28B H 0.4866 0.5378 0.1889 0.126 Uiso 1 1 calc R . .
H28A H 0.4764 0.5738 0.1235 0.126 Uiso 1 1 calc R . .
C29 C 0.3201(4) 0.5639(2) 0.1824(3) 0.0791(18) Uani 1 1 d . A .
H29C H 0.3271 0.6012 0.164 0.119 Uiso 1 1 calc R . .
H29B H 0.343 0.5632 0.2271 0.119 Uiso 1 1 calc R . .
H29A H 0.2584 0.554 0.183 0.119 Uiso 1 1 calc R . .
C30 C 0.0808(5) 0.5419(2) 0.1770(3) 0.092(2) Uani 1 1 d . . .
H30B H 0.1145 0.5388 0.218 0.111 Uiso 1 1 calc R A .
H30A H 0.0211 0.5284 0.1851 0.111 Uiso 1 1 calc R . .
C31 C 0.0791(5) 0.6019(2) 0.1535(3) 0.098(2) Uani 1 1 d . A .
H31B H 0.019 0.6164 0.1533 0.118 Uiso 1 1 calc R . .
H31A H 0.1149 0.6257 0.1823 0.118 Uiso 1 1 calc R . .
C32 C 0.1153(4) 0.60131(17) 0.0856(3) 0.0589(14) Uani 1 1 d . . .
H32B H 0.1764 0.6141 0.0853 0.071 Uiso 1 1 calc R A .
H32A H 0.0808 0.6253 0.0562 0.071 Uiso 1 1 calc R . .
C33 C 0.1090(3) 0.54105(17) 0.0655(3) 0.0548(13) Uani 1 1 d . A .
H33B H 0.0516 0.533 0.0461 0.066 Uiso 1 1 calc R . .
H33A H 0.1546 0.5317 0.0333 0.066 Uiso 1 1 calc R . .
O2 O 0.0304(3) 0.3844(2) 0.1885(2) 0.0401(14) Uiso 0.604(6) 1 d PD A 1
C34 C -0.0391(5) 0.3515(3) 0.1586(4) 0.049(2) Uiso 0.604(6) 1 d PD A 1
H34A H -0.0548 0.3197 0.1869 0.058 Uiso 0.604(6) 1 calc PR A 1
H34B H -0.0208 0.3372 0.1154 0.058 Uiso 0.604(6) 1 calc PR A 1
C35 C -0.1152(6) 0.3909(4) 0.1514(5) 0.067(3) Uiso 0.604(6) 1 d PD A 1
H35A H -0.1686 0.3743 0.1699 0.081 Uiso 0.604(6) 1 calc PR A 1
H35B H -0.1254 0.4 0.1049 0.081 Uiso 0.604(6) 1 calc PR A 1
C36 C -0.0889(6) 0.4424(4) 0.1895(5) 0.074(3) Uiso 0.604(6) 1 d PD A 1
H36A H -0.0696 0.4724 0.1598 0.089 Uiso 0.604(6) 1 calc PR A 1
H36B H -0.1373 0.4562 0.2169 0.089 Uiso 0.604(6) 1 calc PR A 1
C37 C -0.0159(5) 0.4218(3) 0.2305(3) 0.0438(19) Uiso 0.604(6) 1 d PD A 1
H37A H 0.0218 0.4529 0.2446 0.053 Uiso 0.604(6) 1 calc PR A 1
H37B H -0.0379 0.4023 0.2697 0.053 Uiso 0.604(6) 1 calc PR A 1
O2A O 0.0086(5) 0.4043(3) 0.1580(4) 0.041(2) Uiso 0.396(6) 1 d PD A 2
C34A C -0.0232(9) 0.3818(7) 0.2197(6) 0.079(5) Uiso 0.396(6) 1 d PD A 2
H34C H -0.0399 0.4121 0.2499 0.094 Uiso 0.396(6) 1 calc PR A 2
H34D H 0.0218 0.3586 0.241 0.094 Uiso 0.396(6) 1 calc PR A 2
C35A C -0.1003(9) 0.3475(6) 0.2019(7) 0.075(5) Uiso 0.396(6) 1 d PD A 2
H35C H -0.0847 0.3076 0.2007 0.09 Uiso 0.396(6) 1 calc PR A 2
H35D H -0.1473 0.3528 0.2343 0.09 Uiso 0.396(6) 1 calc PR A 2
C36A C -0.1288(10) 0.3667(7) 0.1361(7) 0.076(5) Uiso 0.396(6) 1 d PD A 2
H36C H -0.191 0.3767 0.1361 0.091 Uiso 0.396(6) 1 calc PR A 2
H36D H -0.1186 0.3377 0.1026 0.091 Uiso 0.396(6) 1 calc PR A 2
C37A C -0.0733(10) 0.4165(7) 0.1239(9) 0.108(6) Uiso 0.396(6) 1 d PD A 2
H37C H -0.0633 0.4218 0.0765 0.129 Uiso 0.396(6) 1 calc PR A 2
H37D H -0.1008 0.4504 0.1419 0.129 Uiso 0.396(6) 1 calc PR A 2
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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 0.006 '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
_geom_angle_publ_flag
N2 Y N1 79.94(10) . . ?
N2 Y O2A 167.2(2) . . ?
N1 Y O2A 102.6(2) . . ?
N2 Y O1 97.03(10) . . ?
N1 Y O1 175.55(11) . . ?
O2A Y O1 81.06(19) . . ?
N2 Y O2 168.15(14) . . ?
N1 Y O2 88.33(14) . . ?
O1 Y O2 94.58(14) . . ?
N2 Y Cl1 96.76(8) . . ?
N1 Y Cl1 101.64(8) . . ?
O2A Y Cl1 70.44(18) . . ?
O1 Y Cl1 81.89(8) . . ?
O2 Y Cl1 87.21(12) . . ?
N2 Y Cl2 98.76(8) . . ?
N1 Y Cl2 94.75(8) . . ?
O2A Y Cl2 93.56(18) . . ?
O1 Y Cl2 82.44(8) . . ?
O2 Y Cl2 80.39(12) . . ?
Cl1 Y Cl2 159.14(5) . . ?
C30 O1 C33 106.5(4) . . ?
C30 O1 Y 126.6(3) . . ?
C33 O1 Y 124.3(2) . . ?
C1 N1 C6 117.7(3) . . ?
C1 N1 Y 125.8(2) . . ?
C6 N1 Y 116.2(2) . . ?
C3 N2 C18 117.8(3) . . ?
C3 N2 Y 126.7(2) . . ?
C18 N2 Y 115.1(2) . . ?
N1 C1 C2 125.1(3) . . ?
N1 C1 C4 121.4(3) . . ?
C2 C1 C4 113.5(4) . . ?
C1 C2 C3 131.5(4) . . ?
N2 C3 C2 124.5(4) . . ?
N2 C3 C5 121.6(3) . . ?
C2 C3 C5 114.0(4) . . ?
C11 C6 C7 121.4(4) . . ?
C11 C6 N1 120.9(3) . . ?
C7 C6 N1 117.7(3) . . ?
C8 C7 C6 117.6(4) . . ?
C8 C7 C12 121.3(4) . . ?
C6 C7 C12 121.1(4) . . ?
C9 C8 C7 122.0(5) . . ?
C8 C9 C10 119.8(4) . . ?
C9 C10 C11 121.4(4) . . ?
C10 C11 C6 117.8(4) . . ?
C10 C11 C15 119.0(4) . . ?
C6 C11 C15 123.3(4) . . ?
C7 C12 C13 113.6(5) . . ?
C7 C12 C14 110.7(4) . . ?
C13 C12 C14 111.1(4) . . ?
C11 C15 C17 112.6(4) . . ?
C11 C15 C16 110.6(4) . . ?
C17 C15 C16 108.6(4) . . ?
C23 C18 C19 121.0(4) . . ?
C23 C18 N2 120.4(3) . . ?
C19 C18 N2 118.6(3) . . ?
C20 C19 C18 117.9(4) . . ?
C20 C19 C24 120.1(4) . . ?
C18 C19 C24 122.0(4) . . ?
C21 C20 C19 121.3(4) . . ?
C22 C21 C20 120.1(4) . . ?
C21 C22 C23 121.0(4) . . ?
C22 C23 C18 118.5(4) . . ?
C22 C23 C27 118.4(4) . . ?
C18 C23 C27 123.0(3) . . ?
C19 C24 C26 111.5(4) . . ?
C19 C24 C25 112.7(4) . . ?
C26 C24 C25 109.4(4) . . ?
C23 C27 C29 113.6(4) . . ?
C23 C27 C28 110.4(4) . . ?
C29 C27 C28 108.1(4) . . ?
O1 C30 C31 106.4(4) . . ?
C32 C31 C30 106.1(4) . . ?
C31 C32 C33 103.8(4) . . ?
O1 C33 C32 104.9(4) . . ?
C37 O2 C34 103.0(5) . . ?
C37 O2 Y 122.1(4) . . ?
C34 O2 Y 123.2(4) . . ?
O2 C34 C35 105.6(6) . . ?
C34 C35 C36 104.8(7) . . ?
C37 C36 C35 102.6(7) . . ?
O2 C37 C36 104.4(6) . . ?
C34A O2A C37A 101.3(10) . . ?
C34A O2A Y 124.0(8) . . ?
C37A O2A Y 134.6(8) . . ?
O2A C34A C35A 105.2(10) . . ?
C36A C35A C34A 106.5(12) . . ?
C35A C36A C37A 103.3(13) . . ?
O2A C37A C36A 104.6(11) . . ?
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
Y N2 2.361(3) . ?
Y N1 2.379(3) . ?
Y O2A 2.422(7) . ?
Y O1 2.426(3) . ?
Y O2 2.433(5) . ?
Y Cl1 2.5487(14) . ?
Y Cl2 2.5631(13) . ?
O1 C30 1.445(6) . ?
O1 C33 1.453(5) . ?
N1 C1 1.334(5) . ?
N1 C6 1.449(5) . ?
N2 C3 1.330(5) . ?
N2 C18 1.446(5) . ?
C1 C2 1.395(6) . ?
C1 C4 1.528(5) . ?
C2 C3 1.396(5) . ?
C3 C5 1.514(5) . ?
C6 C11 1.402(5) . ?
C6 C7 1.411(5) . ?
C7 C8 1.385(6) . ?
C7 C12 1.519(6) . ?
C8 C9 1.372(7) . ?
C9 C10 1.375(7) . ?
C10 C11 1.399(6) . ?
C11 C15 1.510(6) . ?
C12 C13 1.527(7) . ?
C12 C14 1.546(8) . ?
C15 C17 1.529(6) . ?
C15 C16 1.548(6) . ?
C18 C23 1.402(5) . ?
C18 C19 1.409(6) . ?
C19 C20 1.391(6) . ?
C19 C24 1.524(6) . ?
C20 C21 1.378(6) . ?
C21 C22 1.377(6) . ?
C22 C23 1.388(5) . ?
C23 C27 1.512(6) . ?
C24 C26 1.526(7) . ?
C24 C25 1.536(6) . ?
C27 C29 1.530(7) . ?
C27 C28 1.548(7) . ?
C30 C31 1.523(7) . ?
C31 C32 1.496(8) . ?
C32 C33 1.511(6) . ?
O2 C37 1.435(7) . ?
O2 C34 1.467(8) . ?
C34 C35 1.514(9) . ?
C35 C36 1.520(11) . ?
C36 C37 1.488(9) . ?
O2A C34A 1.459(12) . ?
O2A C37A 1.472(13) . ?
C34A C35A 1.491(13) . ?
C35A C36A 1.490(13) . ?
C36A C37A 1.493(14) . ?
