#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:40:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179511 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/08/4340818.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_4340818
loop_
_publ_author_name
'Tsang, Min Ying'
'Viñas, Clara'
'Teixidor, Francesc'
'Planas, José Giner'
'Conde, Nerea'
'SanMartin, Raul'
'Herrero, María Teresa'
'Domínguez, Esther'
'Lledós, Agustí'
'Vidossich, Pietro'
'Choquesillo-Lazarte, Duane'
_publ_section_title
;
 Synthesis, Structure, and Catalytic Applications for ortho- and
 meta-Carboranyl Based NBN Pincer-Pd Complexes.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9284
_journal_page_last               9295
_journal_paper_doi               10.1021/ic5013999
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety
'2(C14 H21 B10 Cl N2 O2 Pd), C4 H14 Cl2 N2 Pd, 2(C3 H7 N O)'
_chemical_formula_sum            'C38 H70 B20 Cl4 N8 O6 Pd3'
_chemical_formula_weight         1412.22
_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_date             2013-06-04
_audit_creation_method
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_cell_angle_alpha                99.934(2)
_cell_angle_beta                 101.468(2)
_cell_angle_gamma                102.624(2)
_cell_formula_units_Z            1
_cell_length_a                   10.6774(5)
_cell_length_b                   10.9800(4)
_cell_length_c                   13.2409(6)
_cell_measurement_reflns_used    6143
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      2.80
_cell_volume                     1446.22(11)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21502
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.41
_diffrn_source                   'high brilliance microfocus sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.159
_exptl_absorpt_correction_T_max  0.8929
_exptl_absorpt_correction_T_min  0.8735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS, 2012/1'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.158
_refine_diff_density_min         -0.997
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         5879
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0247
_refine_ls_R_factor_gt           0.0226
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0234P)²+1.9991P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0572
_refine_ls_wR_factor_ref         0.0581
_reflns_number_gt                5560
_reflns_number_total             5879
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5013999_si_002.cif
_cod_data_source_block           ivy240g
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340818--4340820.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4340818
#BEGIN Tags that were not found in dictionaries:
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 N2(H2), C13(H13), C21(H21)
2.b Aromatic/amide H refined with riding coordinates:
 C16(H16), C27(H27), C25(H25), C17(H17), C18(H18), C26(H26), C32(H32),
 C24(H24), C19(H19)
2.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C35(H35A,H35B,H35C), C34(H34A,H34B,H34C)
2.d Idealised tetrahedral OH refined as rotating group:
 O22(H22), O14(H14)
2.e Boron cage BH refined with riding coordinates:
 B10(H10), B12(H12), B11(H11), B7(H7), B4(H4), B3(H3), B5(H5), B8(H8), B9(H9)
;
#END Tags that were not found in dictionaries
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
Pd1 Pd 1.154893(15) 0.471193(14) 0.875977(12) 0.00890(5) Uani 1 1 d .
Pd2 Pd 0.5000 0.5000 0.5000 0.01358(6) Uani 1 2 d S
Cl1 Cl 1.31265(5) 0.66042(5) 1.00623(4) 0.01309(10) Uani 1 1 d .
Cl2 Cl 0.39774(6) 0.28399(5) 0.46196(5) 0.02050(12) Uani 1 1 d .
O22 O 0.71881(15) 0.44195(15) 0.79388(12) 0.0155(3) Uani 1 1 d .
H22 H 0.6871 0.4080 0.8386 0.023 Uiso 1 1 calc R
N20 N 1.20814(18) 0.34166(16) 0.95983(13) 0.0110(3) Uani 1 1 d .
O14 O 0.88684(15) 0.16271(14) 0.97748(12) 0.0128(3) Uani 1 1 d .
H14 H 0.8220 0.1903 0.9878 0.019 Uiso 1 1 calc R
O31 O 0.56947(17) 1.20429(15) 0.25794(13) 0.0213(3) Uani 1 1 d .
N2 N 0.60323(19) 0.46127(18) 0.38810(15) 0.0165(4) Uani 1 1 d .
H2 H 0.5707 0.3742 0.3572 0.020 Uiso 1 1 calc R
N28 N 1.06005(18) 0.58602(16) 0.79959(13) 0.0113(3) Uani 1 1 d .
C13 C 0.9701(2) 0.25129(19) 0.93901(15) 0.0105(4) Uani 1 1 d .
H13 H 0.9578 0.3382 0.9637 0.013 Uiso 1 1 calc R
C15 C 1.1140(2) 0.25399(19) 0.98339(15) 0.0108(4) Uani 1 1 d .
C21 C 0.8531(2) 0.44491(19) 0.81042(16) 0.0109(4) Uani 1 1 d .
H21 H 0.8905 0.4540 0.8876 0.013 Uiso 1 1 calc R
C16 C 1.1471(2) 0.1716(2) 1.04632(16) 0.0137(4) Uani 1 1 d .
H16 H 1.0799 0.1110 1.0623 0.016 Uiso 1 1 calc R
C27 C 1.1291(2) 0.68914(19) 0.77272(16) 0.0143(4) Uani 1 1 d .
H27 H 1.2231 0.7093 0.7906 0.017 Uiso 1 1 calc R
C25 C 0.9297(2) 0.7379(2) 0.69378(17) 0.0164(4) Uani 1 1 d .
H25 H 0.8853 0.7885 0.6559 0.020 Uiso 1 1 calc R
C17 C 1.2802(2) 0.1789(2) 1.08592(17) 0.0166(4) Uani 1 1 d .
H17 H 1.3048 0.1237 1.1297 0.020 Uiso 1 1 calc R
C18 C 1.3760(2) 0.2671(2) 1.06093(17) 0.0160(4) Uani 1 1 d .
H18 H 1.4674 0.2733 1.0867 0.019 Uiso 1 1 calc R
C26 C 1.0665(2) 0.7661(2) 0.71996(16) 0.0164(4) Uani 1 1 d .
H26 H 1.1172 0.8378 0.7018 0.020 Uiso 1 1 calc R
C32 C 0.5726(2) 1.1154(2) 0.30294(18) 0.0178(4) Uani 1 1 d .
H32 H 0.5631 1.1283 0.3735 0.021 Uiso 1 1 calc R
B10 B 1.0373(2) 0.2175(2) 0.63812(18) 0.0131(5) Uani 1 1 d .
H10 H 1.1253 0.2326 0.6032 0.016 Uiso 1 1 calc R
C24 C 0.8583(2) 0.6341(2) 0.72379(16) 0.0141(4) Uani 1 1 d .
H24 H 0.7644 0.6141 0.7085 0.017 Uiso 1 1 calc R
N33 N 0.5883(2) 1.00183(18) 0.25982(16) 0.0208(4) Uani 1 1 d .
B6 B 1.0378(2) 0.3191(2) 0.76241(18) 0.0112(4) Uani 1 1 d .
B12 B 0.8688(3) 0.1668(2) 0.55866(18) 0.0147(5) Uani 1 1 d .
H12 H 0.8459 0.1476 0.4702 0.018 Uiso 1 1 calc R
C19 C 1.3362(2) 0.3463(2) 0.99758(17) 0.0140(4) Uani 1 1 d .
H19 H 1.4021 0.4066 0.9799 0.017 Uiso 1 1 calc R
C1 C 0.9362(2) 0.21858(18) 0.81596(16) 0.0099(4) Uani 1 1 d .
C23 C 0.9266(2) 0.56031(19) 0.77639(15) 0.0110(4) Uani 1 1 d .
B11 B 0.9336(2) 0.3238(2) 0.63826(18) 0.0122(4) Uani 1 1 d .
H11 H 0.9540 0.4093 0.6027 0.015 Uiso 1 1 calc R
C3 C 0.7448(2) 0.4821(2) 0.43788(18) 0.0200(5) Uani 1 1 d .
H3A H 0.7545 0.4288 0.4897 0.030 Uiso 1 1 calc R
H3B H 0.7831 0.5726 0.4736 0.030 Uiso 1 1 calc R
H3C H 0.7910 0.4589 0.3835 0.030 Uiso 1 1 calc R
C4 C 0.5855(2) 0.5290(2) 0.30094(19) 0.0218(5) Uani 1 1 d .
H4A H 0.6191 0.6217 0.3297 0.033 Uiso 1 1 calc R
H4B H 0.4912 0.5086 0.2657 0.033 Uiso 1 1 calc R
H4C H 0.6344 0.5017 0.2498 0.033 Uiso 1 1 calc R
C2 C 0.8743(2) 0.32036(18) 0.74841(16) 0.0096(4) Uani 1 1 d .
B7 B 0.7683(2) 0.2372(2) 0.63079(18) 0.0134(5) Uani 1 1 d .
H7 H 0.6798 0.2658 0.5912 0.016 Uiso 1 1 calc R
B4 B 0.8730(3) 0.0649(2) 0.74502(18) 0.0132(5) Uani 1 1 d .
H4 H 0.8532 -0.0205 0.7808 0.016 Uiso 1 1 calc R
B3 B 0.7718(2) 0.1749(2) 0.74741(18) 0.0123(4) Uani 1 1 d .
H3 H 0.6870 0.1641 0.7861 0.015 Uiso 1 1 calc R
C35 C 0.5986(3) 0.9039(2) 0.3206(2) 0.0325(6) Uani 1 1 d .
H35A H 0.5806 0.9311 0.3895 0.049 Uiso 1 1 calc R
H35B H 0.6881 0.8916 0.3310 0.049 Uiso 1 1 calc R
H35C H 0.5340 0.8230 0.2820 0.049 Uiso 1 1 calc R
C34 C 0.5996(3) 0.9738(3) 0.1512(2) 0.0305(6) Uani 1 1 d .
H34A H 0.6881 0.9631 0.1503 0.046 Uiso 1 1 calc R
H34B H 0.5853 1.0446 0.1183 0.046 Uiso 1 1 calc R
H34C H 0.5329 0.8947 0.1117 0.046 Uiso 1 1 calc R
B5 B 1.0371(2) 0.1526(2) 0.75175(18) 0.0127(4) Uani 1 1 d .
H5 H 1.1258 0.1245 0.7915 0.015 Uiso 1 1 calc R
B8 B 0.7679(3) 0.0740(2) 0.62589(19) 0.0151(5) Uani 1 1 d .
H8 H 0.6785 -0.0059 0.5824 0.018 Uiso 1 1 calc R
B9 B 0.9334(3) 0.0610(2) 0.62840(19) 0.0146(5) Uani 1 1 d .
H9 H 0.9529 -0.0276 0.5859 0.017 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'
B B 0.0013 0.0007 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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
N20 Pd1 Cl1 94.01(5) . .
N20 Pd1 N28 166.76(7) . .
N28 Pd1 Cl1 91.81(5) . .
B6 Pd1 Cl1 175.14(7) . .
B6 Pd1 N20 87.09(8) . .
B6 Pd1 N28 88.10(8) . .
Cl2 Pd2 Cl2 179.999(1) . 2_666
N2 Pd2 Cl2 87.98(5) 2_666 2_666
N2 Pd2 Cl2 92.02(5) . 2_666
N2 Pd2 Cl2 92.02(5) 2_666 .
N2 Pd2 Cl2 87.98(5) . .
N2 Pd2 N2 180.00(8) . 2_666
C21 O22 H22 109.5 . .
C15 N20 Pd1 120.11(14) . .
C19 N20 Pd1 121.20(14) . .
C19 N20 C15 118.58(18) . .
C13 O14 H14 109.5 . .
Pd2 N2 H2 106.4 . .
C3 N2 Pd2 110.99(14) . .
C3 N2 H2 106.4 . .
C3 N2 C4 110.96(18) . .
C4 N2 Pd2 115.07(14) . .
C4 N2 H2 106.4 . .
C27 N28 Pd1 121.17(15) . .
C23 N28 Pd1 120.19(13) . .
C23 N28 C27 118.63(18) . .
O14 C13 H13 108.5 . .
O14 C13 C15 109.64(16) . .
O14 C13 C1 111.47(16) . .
C15 C13 H13 108.5 . .
C15 C13 C1 110.12(16) . .
C1 C13 H13 108.5 . .
N20 C15 C13 117.11(17) . .
N20 C15 C16 121.52(19) . .
C16 C15 C13 121.37(19) . .
O22 C21 H21 108.6 . .
O22 C21 C23 109.55(16) . .
O22 C21 C2 111.78(16) . .
C23 C21 H21 108.6 . .
C23 C21 C2 109.51(16) . .
C2 C21 H21 108.6 . .
C15 C16 H16 120.4 . .
C15 C16 C17 119.2(2) . .
C17 C16 H16 120.4 . .
N28 C27 H27 119.1 . .
N28 C27 C26 121.8(2) . .
C26 C27 H27 119.1 . .
C26 C25 H25 120.6 . .
C26 C25 C24 118.9(2) . .
C24 C25 H25 120.6 . .
C16 C17 H17 120.3 . .
C18 C17 C16 119.3(2) . .
C18 C17 H17 120.3 . .
C17 C18 H18 120.7 . .
C17 C18 C19 118.6(2) . .
C19 C18 H18 120.7 . .
C27 C26 C25 119.6(2) . .
C27 C26 H26 120.2 . .
C25 C26 H26 120.2 . .
O31 C32 H32 117.6 . .
O31 C32 N33 124.9(2) . .
N33 C32 H32 117.6 . .
B6 B10 H10 121.5 . .
B12 B10 H10 122.9 . .
B12 B10 B6 107.22(16) . .
B11 B10 H10 122.1 . .
B11 B10 B6 60.37(13) . .
B11 B10 B12 59.11(13) . .
B11 B10 B9 106.59(17) . .
B5 B10 H10 121.9 . .
B5 B10 B6 60.39(13) . .
B5 B10 B12 106.55(17) . .
B5 B10 B11 107.95(16) . .
B5 B10 B9 59.44(13) . .
B9 B10 H10 122.6 . .
B9 B10 B6 107.55(16) . .
B9 B10 B12 58.96(14) . .
C25 C24 H24 120.6 . .
C23 C24 C25 118.8(2) . .
C23 C24 H24 120.6 . .
C32 N33 C35 121.5(2) . .
C32 N33 C34 120.6(2) . .
C34 N33 C35 117.8(2) . .
B10 B6 Pd1 141.12(15) . .
C1 B6 Pd1 110.31(13) . .
C1 B6 B10 103.43(15) . .
C1 B6 B11 104.70(16) . .
C1 B6 C2 59.55(12) . .
C1 B6 B5 57.73(12) . .
B11 B6 Pd1 126.69(14) . .
B11 B6 B10 58.58(13) . .
C2 B6 Pd1 109.93(13) . .
C2 B6 B10 103.45(16) . .
C2 B6 B11 57.68(12) . .
C2 B6 B5 104.72(16) . .
B5 B6 Pd1 127.43(15) . .
B5 B6 B10 58.49(12) . .
B5 B6 B11 105.05(16) . .
B10 B12 H12 121.5 . .
B11 B12 B10 59.59(13) . .
B11 B12 H12 121.9 . .
B11 B12 B7 60.48(13) . .
B11 B12 B8 108.03(16) . .
B11 B12 B9 108.04(17) . .
B7 B12 B10 108.46(16) . .
B7 B12 H12 121.4 . .
B7 B12 B8 59.78(14) . .
B8 B12 B10 108.58(17) . .
B8 B12 H12 121.5 . .
B9 B12 B10 60.31(14) . .
B9 B12 H12 121.3 . .
B9 B12 B7 108.64(17) . .
B9 B12 B8 60.58(14) . .
N20 C19 C18 122.8(2) . .
N20 C19 H19 118.6 . .
C18 C19 H19 118.6 . .
C13 C1 B6 114.44(16) . .
C13 C1 C2 119.56(15) . .
C13 C1 B4 121.33(16) . .
C13 C1 B3 118.56(16) . .
C13 C1 B5 119.74(17) . .
B6 C1 B3 113.68(15) . .
C2 C1 B6 60.37(12) . .
C2 C1 B3 60.23(12) . .
B4 C1 B6 116.13(16) . .
B4 C1 C2 110.18(15) . .
B4 C1 B3 62.92(14) . .
B4 C1 B5 63.16(13) . .
B5 C1 B6 63.77(13) . .
B5 C1 C2 110.05(15) . .
B5 C1 B3 114.57(16) . .
N28 C23 C21 116.80(18) . .
N28 C23 C24 122.22(19) . .
C24 C23 C21 121.0(2) . .
B10 B11 B6 61.05(13) . .
B10 B11 H11 120.7 . .
B10 B11 B7 109.61(16) . .
B6 B11 H11 121.0 . .
B12 B11 B10 61.30(14) . .
B12 B11 B6 109.47(16) . .
B12 B11 H11 121.6 . .
B12 B11 B7 60.22(14) . .
C2 B11 B10 106.13(16) . .
C2 B11 B6 58.65(12) . .
C2 B11 B12 105.09(16) . .
C2 B11 H11 124.8 . .
C2 B11 B7 58.27(12) . .
B7 B11 B6 108.02(16) . .
B7 B11 H11 121.4 . .
N2 C3 H3A 109.5 . .
N2 C3 H3B 109.5 . .
N2 C3 H3C 109.5 . .
H3A C3 H3B 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
N2 C4 H4A 109.5 . .
N2 C4 H4B 109.5 . .
N2 C4 H4C 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C21 C2 B6 114.31(16) . .
C21 C2 C1 119.72(15) . .
C21 C2 B11 119.56(16) . .
C21 C2 B7 121.10(17) . .
C21 C2 B3 118.84(16) . .
B6 C2 B3 113.60(15) . .
C1 C2 B6 60.08(12) . .
C1 C2 B3 60.43(12) . .
B11 C2 B6 63.67(13) . .
B11 C2 C1 109.77(15) . .
B11 C2 B3 114.55(16) . .
B7 C2 B6 116.32(16) . .
B7 C2 C1 110.52(15) . .
B7 C2 B11 63.29(13) . .
B7 C2 B3 63.04(13) . .
B12 B7 B11 59.31(13) . .
B12 B7 H7 122.6 . .
B12 B7 B3 107.64(17) . .
B11 B7 H7 122.1 . .
B11 B7 B3 107.43(16) . .
C2 B7 B12 104.51(17) . .
C2 B7 B11 58.43(12) . .
C2 B7 H7 124.5 . .
C2 B7 B3 59.09(12) . .
C2 B7 B8 105.09(16) . .
B3 B7 H7 121.7 . .
B8 B7 B12 60.33(14) . .
B8 B7 B11 107.54(17) . .
B8 B7 H7 122.3 . .
B8 B7 B3 59.64(13) . .
C1 B4 H4 124.3 . .
C1 B4 B3 59.30(12) . .
C1 B4 B5 58.52(13) . .
C1 B4 B8 105.46(16) . .
C1 B4 B9 104.81(16) . .
B3 B4 H4 121.5 . .
B5 B4 H4 121.8 . .
B5 B4 B3 107.87(16) . .
B5 B4 B9 59.50(13) . .
B8 B4 H4 122.0 . .
B8 B4 B3 59.75(13) . .
B8 B4 B5 108.07(16) . .
B8 B4 B9 60.62(14) . .
B9 B4 H4 122.3 . .
B9 B4 B3 108.08(16) . .
C1 B3 B7 105.58(16) . .
C1 B3 B4 57.79(13) . .
C1 B3 H3 123.9 . .
C1 B3 B8 104.33(17) . .
C2 B3 C1 59.34(12) . .
C2 B3 B7 57.88(12) . .
C2 B3 B4 105.42(16) . .
C2 B3 H3 123.9 . .
C2 B3 B8 104.36(16) . .
B7 B3 H3 122.2 . .
B4 B3 B7 107.75(17) . .
B4 B3 H3 122.4 . .
B8 B3 B7 59.89(13) . .
B8 B3 B4 59.80(13) . .
B8 B3 H3 123.5 . .
N33 C35 H35A 109.5 . .
N33 C35 H35B 109.5 . .
N33 C35 H35C 109.5 . .
H35A C35 H35B 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
N33 C34 H34A 109.5 . .
N33 C34 H34B 109.5 . .
N33 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
B10 B5 B6 61.12(13) . .
B10 B5 B4 109.32(17) . .
B10 B5 H5 120.9 . .
B6 B5 H5 121.1 . .
C1 B5 B10 106.09(16) . .
C1 B5 B6 58.50(12) . .
C1 B5 B4 58.32(13) . .
C1 B5 H5 124.7 . .
C1 B5 B9 105.31(17) . .
B4 B5 B6 107.80(16) . .
B4 B5 H5 121.5 . .
B9 B5 B10 61.01(13) . .
B9 B5 B6 109.36(17) . .
B9 B5 B4 60.33(14) . .
B9 B5 H5 121.5 . .
B12 B8 H8 122.3 . .
B12 B8 B9 59.24(14) . .
B7 B8 B12 59.89(13) . .
B7 B8 H8 121.4 . .
B7 B8 B9 107.65(17) . .
B4 B8 B12 107.47(17) . .
B4 B8 B7 108.72(16) . .
B4 B8 H8 121.5 . .
B4 B8 B9 59.90(14) . .
B3 B8 B12 107.95(16) . .
B3 B8 B7 60.47(13) . .
B3 B8 B4 60.45(13) . .
B3 B8 H8 121.3 . .
B3 B8 B9 108.06(17) . .
B9 B8 H8 122.2 . .
B10 B9 H9 121.4 . .
B12 B9 B10 60.73(14) . .
B12 B9 B4 107.89(17) . .
B12 B9 B8 60.18(14) . .
B12 B9 H9 121.4 . .
B4 B9 B10 108.05(16) . .
B4 B9 B8 59.48(14) . .
B4 B9 H9 121.9 . .
B5 B9 B10 59.56(13) . .
B5 B9 B12 108.05(16) . .
B5 B9 B4 60.18(13) . .
B5 B9 B8 107.70(16) . .
B5 B9 H9 122.0 . .
B8 B9 B10 108.59(16) . .
B8 B9 H9 121.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 Cl1 2.4915(5) .
Pd1 N20 2.0557(17) .
Pd1 N28 2.0564(18) .
Pd1 B6 2.021(2) .
Pd2 Cl2 2.3040(5) .
Pd2 Cl2 2.3040(5) 2_666
Pd2 N2 2.0563(18) .
Pd2 N2 2.0563(18) 2_666
O22 H22 0.8400 .
O22 C21 1.399(3) .
N20 C15 1.356(3) .
N20 C19 1.346(3) .
O14 H14 0.8400 .
O14 C13 1.403(2) .
O31 C32 1.231(3) .
N2 H2 0.9300 .
N2 C3 1.474(3) .
N2 C4 1.481(3) .
N28 C27 1.353(3) .
N28 C23 1.351(3) .
C13 H13 1.0000 .
C13 C15 1.524(3) .
C13 C1 1.556(3) .
C15 C16 1.385(3) .
C21 H21 1.0000 .
C21 C23 1.526(3) .
C21 C2 1.555(3) .
C16 H16 0.9500 .
C16 C17 1.393(3) .
C27 H27 0.9500 .
C27 C26 1.383(3) .
C25 H25 0.9500 .
C25 C26 1.383(3) .
C25 C24 1.391(3) .
C17 H17 0.9500 .
C17 C18 1.381(3) .
C18 H18 0.9500 .
C18 C19 1.383(3) .
C26 H26 0.9500 .
C32 H32 0.9500 .
C32 N33 1.339(3) .
B10 H10 1.1200 .
B10 B6 1.820(3) .
B10 B12 1.806(4) .
B10 B11 1.775(3) .
B10 B5 1.772(3) .
B10 B9 1.798(3) .
C24 H24 0.9500 .
C24 C23 1.388(3) .
N33 C35 1.460(3) .
N33 C34 1.453(3) .
B6 C1 1.718(3) .
B6 B11 1.808(3) .
B6 C2 1.723(3) .
B6 B5 1.807(3) .
B12 H12 1.1200 .
B12 B11 1.767(3) .
B12 B7 1.783(4) .
B12 B8 1.791(3) .
B12 B9 1.774(3) .
C19 H19 0.9500 .
C1 C2 1.709(3) .
C1 B4 1.700(3) .
C1 B3 1.728(3) .
C1 B5 1.703(3) .
B11 H11 1.1200 .
B11 C2 1.705(3) .
B11 B7 1.788(3) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C2 B7 1.702(3) .
C2 B3 1.724(3) .
B7 H7 1.1200 .
B7 B3 1.791(3) .
B7 B8 1.781(3) .
B4 H4 1.1200 .
B4 B3 1.789(3) .
B4 B5 1.782(3) .
B4 B8 1.777(3) .
B4 B9 1.785(3) .
B3 H3 1.1200 .
B3 B8 1.776(3) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
B5 H5 1.1200 .
B5 B9 1.770(3) .
B8 H8 1.1200 .
B8 B9 1.798(4) .
B9 H9 1.1200 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O31 0.93 2.08 2.948(2) 153.9 1_545
