#------------------------------------------------------------------------------
#$Date: 2018-08-16 18:35:57 +0300 (Thu, 16 Aug 2018) $
#$Revision: 209811 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/07/48/4074804.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_4074804
loop_
_publ_author_name
'Dubs, Christian'
'Yamamoto, Toshiki'
'Inagaki, Akiko'
'Akita, Munetaka'
_publ_section_title
;
 Synthesis of a Library of Iridium-Containing Dinuclear Complexes with
 Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4.
 2. Preparation, Basic Coordination Properties, and Reactivity of the
 Carbonyl Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1359
_journal_page_last               1367
_journal_paper_doi               10.1021/om050897e
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2 '
_chemical_formula_sum            'C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2'
_chemical_formula_weight         1810.39
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.27(2)
_cell_angle_beta                 106.60(2)
_cell_angle_gamma                98.09(2)
_cell_formula_units_Z            2
_cell_length_a                   13.235(7)
_cell_length_b                   14.245(9)
_cell_length_c                   19.86(1)
_cell_measurement_reflns_used    26061
_cell_measurement_temperature    213
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3366(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SAPI91
_diffrn_ambient_temperature      213
_diffrn_detector_area_resol_mean 10.00
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            21506
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    4.548
_exptl_absorpt_correction_T_max  0.635
_exptl_absorpt_correction_T_min  0.361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.39
_refine_diff_density_min         -3.17
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     757
_refine_ls_number_reflns         8941
_refine_ls_R_factor_gt           0.0622
_refine_ls_shift/su_max          -0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²) + (0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1691
_reflns_number_gt                8941
_reflns_number_total             13065
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            om050897esi20051018_030506.cif
_cod_data_source_block           compound_6
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2 '
_cod_database_code               4074804
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_calc_flag
Ir(1) Ir 0.52165(3) 0.26946(2) 0.67036(2) 0.0383(1) Uani 1.00 d
Ir(2) Ir 0.97347(3) 0.69339(2) 0.85458(2) 0.0400(1) Uani 1.00 d
Cl(1) Cl 0.6281(2) 0.5745(2) 0.5099(2) 0.0661(7) Uani 1.00 d
Cl(2) Cl 0.7311(3) 0.4077(3) 0.5008(2) 0.0833(9) Uani 1.00 d
Cl(3) Cl 0.6742(3) 0.4840(3) 0.3777(2) 0.094(1) Uani 1.00 d
Cl(4) Cl 0.9106(4) 0.3227(4) 0.6246(3) 0.126(2) Uani 1.00 d
Cl(5) Cl 0.9690(5) 0.1442(4) 0.5610(3) 0.137(2) Uani 1.00 d
Cl(6) Cl 1.1335(4) 0.3124(5) 0.6629(4) 0.170(3) Uani 1.00 d
Cl(7) Cl 0.2778(4) 0.3333(4) 0.9686(3) 0.131(2) Uani 1.00 d
Cl(8) Cl 0.1652(6) 0.4883(5) 0.9608(3) 0.156(2) Uani 1.00 d
Cl(9) Cl 0.2926(5) 0.4461(7) 0.8709(4) 0.182(3) Uani 1.00 d
Cl(10) Cl 0.5709(5) 0.6626(5) 0.8629(4) 0.164(3) Uani 1.00 d
Cl(11) Cl 0.5371(9) 0.8552(5) 0.8760(6) 0.249(5) Uani 1.00 d
Cl(12) Cl 0.3652(5) 0.6924(8) 0.8039(3) 0.232(5) Uani 1.00 d
P(1) P 0.5071(2) 0.1458(2) 0.7286(1) 0.0374(5) Uani 1.00 d
P(2) P 1.0036(2) 0.7969(2) 0.7844(1) 0.0376(5) Uani 1.00 d
F(1) F 0.3793(7) 0.1366(5) 0.2732(5) 0.100(3) Uani 1.00 d
F(2) F 0.4062(9) 0.3014(5) 0.3228(5) 0.121(4) Uani 1.00 d
F(3) F 0.5022(8) 0.2174(8) 0.3863(7) 0.145(5) Uani 1.00 d
F(4) F 0.3286(10) 0.203(1) 0.3671(7) 0.162(5) Uani 1.00 d
F(5) F 0.994(1) 0.825(1) 1.1278(7) 0.170(5) Uani 1.00 d
F(6) F 1.103(1) 0.9075(9) 1.2431(8) 0.184(6) Uani 1.00 d
F(7) F 1.135(1) 0.784(1) 1.188(1) 0.37(2) Uani 1.00 d
F(8) F 1.004(2) 0.765(2) 1.2091(9) 0.42(2) Uani 1.00 d
O(01A) O 0.4311(7) 0.4214(6) 0.7572(5) 0.071(2) Uani 1.00 d
O(01B) O 1.0641(7) 0.5289(6) 0.7796(5) 0.072(2) Uani 1.00 d
O(02A) O 0.3150(7) 0.2171(6) 0.5332(5) 0.074(2) Uani 1.00 d
O(02B) O 1.1473(7) 0.7323(8) 1.0063(5) 0.093(3) Uani 1.00 d
N(1) N 0.5865(6) 0.1624(5) 0.6085(5) 0.044(2) Uani 1.00 d
N(2) N 0.9088(6) 0.8160(5) 0.8999(4) 0.042(2) Uani 1.00 d
C(1) C 0.6583(7) 0.3808(6) 0.6752(5) 0.037(2) Uani 1.00 d
C(01A) C 0.4659(8) 0.3632(8) 0.7240(6) 0.054(3) Uani 1.00 d
C(01B) C 1.0291(8) 0.5913(8) 0.8090(6) 0.053(2) Uani 1.00 d
C(2) C 0.6920(7) 0.3445(6) 0.7380(5) 0.042(2) Uani 1.00 d
C(02A) C 0.3911(9) 0.2382(7) 0.5838(7) 0.054(3) Uani 1.00 d
C(02B) C 1.0880(8) 0.7190(8) 0.9490(7) 0.055(2) Uani 1.00 d
C(3) C 0.7227(7) 0.4099(7) 0.8179(5) 0.043(2) Uani 1.00 d
C(4) C 0.8366(8) 0.4798(7) 0.8442(5) 0.048(2) Uani 1.00 d
C(5) C 0.8304(7) 0.5875(6) 0.8502(5) 0.042(2) Uani 1.00 d
C(6) C 0.8025(6) 0.6217(6) 0.7866(5) 0.036(2) Uani 1.00 d
C(7) C 0.7714(8) 0.5553(6) 0.7074(5) 0.042(2) Uani 1.00 d
C(8) C 0.6543(7) 0.4872(6) 0.6810(5) 0.039(2) Uani 1.00 d
C(11A) C 0.6202(7) 0.0903(6) 0.6345(5) 0.039(2) Uani 1.00 d
C(11B) C 0.8822(7) 0.8796(6) 0.8619(5) 0.042(2) Uani 1.00 d
C(12A) C 0.6649(9) 0.0219(8) 0.5940(7) 0.059(3) Uani 1.00 d
C(12B) C 0.8498(8) 0.9639(8) 0.8931(6) 0.053(2) Uani 1.00 d
C(13A) C 0.674(1) 0.0299(8) 0.5281(7) 0.069(3) Uani 1.00 d
C(13B) C 0.841(1) 0.9807(8) 0.9638(7) 0.066(3) Uani 1.00 d
C(14A) C 0.636(1) 0.1038(8) 0.5006(6) 0.062(3) Uani 1.00 d
C(14B) C 0.8678(8) 0.9133(8) 1.0014(6) 0.053(2) Uani 1.00 d
C(15A) C 0.5927(9) 0.1667(7) 0.5422(6) 0.052(2) Uani 1.00 d
C(15B) C 0.8992(8) 0.8324(8) 0.9686(6) 0.050(2) Uani 1.00 d
C(16A) C 0.6119(7) 0.0857(6) 0.7069(5) 0.040(2) Uani 1.00 d
C(16B) C 0.8913(8) 0.8581(7) 0.7860(5) 0.046(2) Uani 1.00 d
C(21A) C 0.5439(7) 0.1767(7) 0.8293(5) 0.041(2) Uani 1.00 d
C(21B) C 0.9899(7) 0.7399(6) 0.6872(5) 0.040(2) Uani 1.00 d
C(22A) C 0.5239(10) 0.2620(8) 0.8706(6) 0.061(3) Uani 1.00 d
C(22B) C 1.0676(9) 0.6839(8) 0.6757(6) 0.053(2) Uani 1.00 d
C(23A) C 0.547(1) 0.2833(9) 0.9469(6) 0.069(3) Uani 1.00 d
C(23B) C 1.060(1) 0.6361(8) 0.6033(7) 0.065(3) Uani 1.00 d
C(24A) C 0.5900(10) 0.218(1) 0.9805(6) 0.074(4) Uani 1.00 d
C(24B) C 0.981(1) 0.6451(9) 0.5444(6) 0.065(3) Uani 1.00 d
C(25A) C 0.6096(10) 0.133(1) 0.9403(7) 0.075(4) Uani 1.00 d
C(25B) C 0.9078(9) 0.7008(10) 0.5563(6) 0.064(3) Uani 1.00 d
C(26A) C 0.5881(9) 0.1132(9) 0.8655(6) 0.058(3) Uani 1.00 d
C(26B) C 0.9122(8) 0.7472(8) 0.6278(5) 0.051(2) Uani 1.00 d
C(31A) C 0.3818(8) 0.0494(7) 0.6917(5) 0.042(2) Uani 1.00 d
C(31B) C 1.1248(7) 0.9000(7) 0.8213(5) 0.040(2) Uani 1.00 d
C(32A) C 0.3810(8) -0.0467(7) 0.6962(5) 0.048(2) Uani 1.00 d
C(32B) C 1.1212(8) 0.9833(7) 0.7972(5) 0.047(2) Uani 1.00 d
C(33A) C 0.2829(10) -0.1182(8) 0.6678(6) 0.061(3) Uani 1.00 d
C(33B) C 1.2135(9) 1.0616(8) 0.8246(6) 0.056(3) Uani 1.00 d
C(34A) C 0.1869(10) -0.0954(8) 0.6337(6) 0.063(3) Uani 1.00 d
C(34B) C 1.3084(10) 1.0560(9) 0.8724(6) 0.063(3) Uani 1.00 d
C(35A) C 0.1868(8) -0.0003(9) 0.6312(6) 0.058(3) Uani 1.00 d
C(35B) C 1.3111(9) 0.9740(9) 0.8966(6) 0.063(3) Uani 1.00 d
C(36A) C 0.2845(8) 0.0718(8) 0.6590(6) 0.052(2) Uani 1.00 d
C(36B) C 1.2203(7) 0.8954(8) 0.8707(6) 0.048(2) Uani 1.00 d
C(41) C 0.636(1) 0.4635(10) 0.4513(7) 0.068(3) Uani 1.00 d
C(42) C 1.000(1) 0.249(1) 0.6396(8) 0.090(4) Uani 1.00 d
C(43) C 0.209(1) 0.397(1) 0.9117(8) 0.086(4) Uani 1.00 d
C(44) C 0.501(1) 0.731(1) 0.8200(8) 0.089(5) Uani 1.00 d
B(1) B 0.410(1) 0.2178(10) 0.3400(7) 0.057(3) Uani 1.00 d
B(2) B 1.062(1) 0.821(1) 1.1911(9) 0.080(5) Uani 1.00 d
H(1) H 0.6884 0.3541 0.6378 0.0446 Uiso 1.00 calc
H(2) H 0.7402 0.3005 0.7322 0.0512 Uiso 1.00 calc
H(3) H 0.6702 0.4492 0.8223 0.0534 Uiso 1.00 calc
H(4) H 0.7213 0.3684 0.8493 0.0534 Uiso 1.00 calc
H(5) H 0.8795 0.4765 0.8906 0.0597 Uiso 1.00 calc
H(6) H 0.8712 0.4563 0.8084 0.0597 Uiso 1.00 calc
H(7) H 0.7986 0.6161 0.8864 0.0520 Uiso 1.00 calc
H(8) H 0.7574 0.6683 0.7911 0.0435 Uiso 1.00 calc
H(9) H 0.7749 0.5955 0.6761 0.0510 Uiso 1.00 calc
H(10) H 0.8222 0.5137 0.7041 0.0510 Uiso 1.00 calc
H(11) H 0.6113 0.4903 0.6342 0.0486 Uiso 1.00 calc
H(12) H 0.6189 0.5110 0.7164 0.0486 Uiso 1.00 calc
H(13) H 0.6875 -0.0309 0.6120 0.0744 Uiso 1.00 calc
H(14) H 0.7071 -0.0140 0.4999 0.0822 Uiso 1.00 calc
H(15) H 0.6407 0.1098 0.4547 0.0726 Uiso 1.00 calc
H(16) H 0.5646 0.2172 0.5236 0.0639 Uiso 1.00 calc
H(17) H 0.6803 0.1178 0.7456 0.0493 Uiso 1.00 calc
H(18) H 0.5950 0.0169 0.7048 0.0493 Uiso 1.00 calc
H(19) H 0.4912 0.3065 0.8455 0.0725 Uiso 1.00 calc
H(20) H 0.5335 0.3435 0.9760 0.0821 Uiso 1.00 calc
H(21) H 0.6065 0.2317 1.0331 0.0884 Uiso 1.00 calc
H(22) H 0.6401 0.0880 0.9653 0.0910 Uiso 1.00 calc
H(23) H 0.6051 0.0533 0.8375 0.0701 Uiso 1.00 calc
H(24) H 0.4484 -0.0631 0.7180 0.0567 Uiso 1.00 calc
H(25) H 0.2828 -0.1850 0.6735 0.0734 Uiso 1.00 calc
H(26) H 0.1197 -0.1465 0.6117 0.0767 Uiso 1.00 calc
H(27) H 0.1191 0.0163 0.6099 0.0728 Uiso 1.00 calc
H(28) H 0.2854 0.1385 0.6560 0.0620 Uiso 1.00 calc
H(29) H 0.8335 1.0106 0.8668 0.0641 Uiso 1.00 calc
H(30) H 0.8180 1.0378 0.9864 0.0780 Uiso 1.00 calc
H(31) H 0.8654 0.9254 1.0507 0.0645 Uiso 1.00 calc
H(32) H 0.9147 0.7841 0.9944 0.0611 Uiso 1.00 calc
H(33) H 0.9032 0.9182 0.7735 0.0556 Uiso 1.00 calc
H(34) H 0.8244 0.8144 0.7489 0.0556 Uiso 1.00 calc
H(35) H 1.1237 0.6789 0.7174 0.0652 Uiso 1.00 calc
H(36) H 1.1119 0.5964 0.5943 0.0756 Uiso 1.00 calc
H(37) H 0.9786 0.6115 0.4945 0.0789 Uiso 1.00 calc
H(38) H 0.8529 0.7079 0.5142 0.0781 Uiso 1.00 calc
H(39) H 0.8591 0.7843 0.6366 0.0621 Uiso 1.00 calc
H(40) H 1.0553 0.9868 0.7618 0.0564 Uiso 1.00 calc
H(41) H 1.2096 1.1215 0.8103 0.0670 Uiso 1.00 calc
H(42) H 1.3738 1.1083 0.8885 0.0765 Uiso 1.00 calc
H(43) H 1.3770 0.9726 0.9332 0.0770 Uiso 1.00 calc
H(44) H 1.2236 0.8382 0.8881 0.0588 Uiso 1.00 calc
H(45) H 0.5627 0.4184 0.4309 0.0835 Uiso 1.00 calc
H(46) H 0.9934 0.2233 0.6799 0.1088 Uiso 1.00 calc
H(47) H 0.1454 0.3485 0.8719 0.1037 Uiso 1.00 calc
H(48) H 0.5123 0.7248 0.7731 0.1049 Uiso 1.00 calc
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ir Ir -1.444 7.990
;International Tables for Crystallography
(1992, 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_publ_flag
P(1) Ir(1) N(1) 80.7(3) yes
P(1) Ir(1) C(1) 133.5(2) yes
P(1) Ir(1) C(01A) 99.6(4) yes
P(1) Ir(1) C(2) 96.0(3) yes
P(1) Ir(1) C(02A) 108.9(4) yes
N(1) Ir(1) C(1) 85.4(3) yes
N(1) Ir(1) C(01A) 179.6(4) yes
N(1) Ir(1) C(2) 85.6(3) yes
N(1) Ir(1) C(02A) 90.4(4) yes
C(1) Ir(1) C(01A) 94.2(4) yes
C(1) Ir(1) C(2) 38.6(4) yes
C(1) Ir(1) C(02A) 115.3(4) yes
C(01A) Ir(1) C(2) 94.1(4) yes
C(01A) Ir(1) C(02A) 89.7(5) yes
C(2) Ir(1) C(02A) 153.8(5) yes
P(2) Ir(2) N(2) 79.6(2) yes
P(2) Ir(2) C(01B) 95.9(4) yes
P(2) Ir(2) C(02B) 116.1(4) yes
P(2) Ir(2) C(5) 134.5(3) yes
P(2) Ir(2) C(6) 96.6(3) yes
N(2) Ir(2) C(01B) 175.3(5) yes
N(2) Ir(2) C(02B) 92.5(4) yes
N(2) Ir(2) C(5) 89.3(3) yes
N(2) Ir(2) C(6) 84.1(3) yes
C(01B) Ir(2) C(02B) 90.6(5) yes
C(01B) Ir(2) C(5) 93.0(4) yes
C(01B) Ir(2) C(6) 95.3(3) yes
C(02B) Ir(2) C(5) 108.3(5) yes
C(02B) Ir(2) C(6) 146.0(5) yes
C(5) Ir(2) C(6) 38.1(4) yes
Ir(1) P(1) C(16A) 98.6(4) yes
Ir(1) P(1) C(21A) 122.4(3) yes
Ir(1) P(1) C(31A) 118.1(3) yes
C(16A) P(1) C(21A) 104.3(4) yes
C(16A) P(1) C(31A) 107.1(4) yes
C(21A) P(1) C(31A) 104.3(5) yes
Ir(2) P(2) C(16B) 98.3(4) yes
Ir(2) P(2) C(21B) 119.3(3) yes
Ir(2) P(2) C(31B) 120.3(3) yes
C(16B) P(2) C(21B) 107.7(4) yes
C(16B) P(2) C(31B) 104.8(4) yes
C(21B) P(2) C(31B) 104.7(4) yes
Ir(1) N(1) C(11A) 120.2(7) yes
Ir(1) N(1) C(15A) 119.9(7) yes
C(11A) N(1) C(15A) 119.9(9) yes
Ir(2) N(2) C(11B) 119.9(7) yes
Ir(2) N(2) C(15B) 120.3(7) yes
C(11B) N(2) C(15B) 119.7(9) yes
Ir(1) C(1) C(2) 71.2(5) yes
Ir(1) C(1) C(8) 123.2(7) yes
C(2) C(1) C(8) 124.8(7) yes
Ir(1) C(01A) O(01A) 179(1) yes
Ir(2) C(01B) O(01B) 178(1) yes
Ir(1) C(2) C(1) 70.2(4) yes
Ir(1) C(2) C(3) 121.2(7) yes
C(1) C(2) C(3) 123.4(8) yes
Ir(1) C(02A) O(02A) 178.0(9) yes
Ir(2) C(02B) O(02B) 173(1) yes
C(2) C(3) C(4) 110.6(9) yes
C(3) C(4) C(5) 111.7(8) yes
Ir(2) C(5) C(4) 118.9(7) yes
Ir(2) C(5) C(6) 70.7(5) yes
C(4) C(5) C(6) 122.8(8) yes
Ir(2) C(6) C(5) 71.3(4) yes
Ir(2) C(6) C(7) 121.2(6) yes
C(5) C(6) C(7) 124.5(8) yes
C(6) C(7) C(8) 110.4(8) yes
C(1) C(8) C(7) 111.0(8) yes
N(1) C(11A) C(12A) 119(1) yes
N(1) C(11A) C(16A) 119.4(9) yes
C(12A) C(11A) C(16A) 121.2(9) yes
N(2) C(11B) C(12B) 120(1) yes
N(2) C(11B) C(16B) 118.3(8) yes
C(12B) C(11B) C(16B) 121.1(10) yes
C(11A) C(12A) C(13A) 119(1) yes
C(11B) C(12B) C(13B) 119(1) yes
C(12A) C(13A) C(14A) 120(1) yes
C(12B) C(13B) C(14B) 119(1) yes
C(13A) C(14A) C(15A) 117(1) yes
C(13B) C(14B) C(15B) 119(1) yes
N(1) C(15A) C(14A) 123(1) yes
N(2) C(15B) C(14B) 121(1) yes
P(1) C(16A) C(11A) 111.3(7) yes
P(2) C(16B) C(11B) 108.4(7) yes
P(1) C(21A) C(22A) 120.5(8) yes
P(1) C(21A) C(26A) 121.0(7) yes
C(22A) C(21A) C(26A) 118.4(10) yes
P(2) C(21B) C(22B) 115.0(7) yes
P(2) C(21B) C(26B) 125.1(8) yes
C(22B) C(21B) C(26B) 119.9(9) yes
C(21A) C(22A) C(23A) 120(1) yes
C(21B) C(22B) C(23B) 118.3(10) yes
C(22A) C(23A) C(24A) 119(1) yes
C(22B) C(23B) C(24B) 120(1) yes
C(23A) C(24A) C(25A) 121(1) yes
C(23B) C(24B) C(25B) 120(1) yes
C(24A) C(25A) C(26A) 119(1) yes
C(24B) C(25B) C(26B) 119(1) yes
C(21A) C(26A) C(25A) 121(1) yes
C(21B) C(26B) C(25B) 120(1) yes
P(1) C(31A) C(32A) 121.3(7) yes
P(1) C(31A) C(36A) 119.6(8) yes
C(32A) C(31A) C(36A) 119.0(8) yes
P(2) C(31B) C(32B) 119.1(6) yes
P(2) C(31B) C(36B) 121.5(8) yes
C(32B) C(31B) C(36B) 119.4(8) yes
C(31A) C(32A) C(33A) 119.5(10) yes
C(31B) C(32B) C(33B) 119.3(9) yes
C(32A) C(33A) C(34A) 120(1) yes
C(32B) C(33B) C(34B) 121(1) yes
C(33A) C(34A) C(35A) 119.9(9) yes
C(33B) C(34B) C(35B) 119(1) yes
C(34A) C(35A) C(36A) 119(1) yes
C(34B) C(35B) C(36B) 120(1) yes
C(31A) C(36A) C(35A) 120(1) yes
C(31B) C(36B) C(35B) 119(1) yes
Cl(1) C(41) Cl(2) 110.7(6) yes
Cl(1) C(41) Cl(3) 111.0(8) yes
Cl(2) C(41) Cl(3) 109.0(8) yes
Cl(4) C(42) Cl(5) 110.5(8) yes
Cl(4) C(42) Cl(6) 112(1) yes
Cl(5) C(42) Cl(6) 109.1(10) yes
Cl(7) C(43) Cl(8) 111.1(9) yes
Cl(7) C(43) Cl(9) 109.8(9) yes
Cl(8) C(43) Cl(9) 110.2(10) yes
Cl(10) C(44) Cl(11) 110.6(8) yes
Cl(10) C(44) Cl(12) 111(1) yes
Cl(11) C(44) Cl(12) 105(1) yes
F(1) B(1) F(2) 108(1) yes
F(1) B(1) F(3) 110(1) yes
F(1) B(1) F(4) 104(1) yes
F(2) B(1) F(3) 115(1) yes
F(2) B(1) F(4) 105(1) yes
F(3) B(1) F(4) 111(1) yes
F(5) B(2) F(6) 114(1) yes
F(5) B(2) F(7) 117(2) yes
F(5) B(2) F(8) 102(1) yes
F(6) B(2) F(7) 105(1) yes
F(6) B(2) F(8) 111(1) yes
F(7) B(2) F(8) 105(2) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ir(1) P(1) 2.363(3) yes
Ir(1) N(1) 2.135(9) yes
Ir(1) C(1) 2.193(9) yes
Ir(1) C(01A) 1.85(1) yes
Ir(1) C(2) 2.206(8) yes
Ir(1) C(02A) 1.96(1) yes
Ir(2) P(2) 2.348(3) yes
Ir(2) N(2) 2.151(8) yes
Ir(2) C(01B) 1.86(1) yes
Ir(2) C(02B) 1.95(1) yes
Ir(2) C(5) 2.214(9) yes
Ir(2) C(6) 2.206(7) yes
Cl(1) C(41) 1.73(1) yes
Cl(2) C(41) 1.78(1) yes
Cl(3) C(41) 1.76(2) yes
Cl(4) C(42) 1.71(2) yes
Cl(5) C(42) 1.75(2) yes
Cl(6) C(42) 1.73(2) yes
Cl(7) C(43) 1.77(2) yes
Cl(8) C(43) 1.68(2) yes
Cl(9) C(43) 1.73(2) yes
Cl(10) C(44) 1.66(2) yes
Cl(11) C(44) 1.74(2) yes
Cl(12) C(44) 1.71(2) yes
P(1) C(16A) 1.82(1) yes
P(1) C(21A) 1.830(10) yes
P(1) C(31A) 1.819(9) yes
P(2) C(16B) 1.83(1) yes
P(2) C(21B) 1.831(9) yes
P(2) C(31B) 1.834(8) yes
F(1) B(1) 1.42(1) yes
F(2) B(1) 1.33(2) yes
F(3) B(1) 1.31(2) yes
F(4) B(1) 1.34(2) yes
F(5) B(2) 1.34(2) yes
F(6) B(2) 1.31(2) yes
F(7) B(2) 1.18(3) yes
F(8) B(2) 1.22(3) yes
O(01A) C(01A) 1.15(2) yes
O(01B) C(01B) 1.16(1) yes
O(02A) C(02A) 1.14(1) yes
O(02B) C(02B) 1.13(1) yes
N(1) C(11A) 1.34(1) yes
N(1) C(15A) 1.36(2) yes
N(2) C(11B) 1.35(1) yes
N(2) C(15B) 1.37(1) yes
C(1) C(2) 1.45(1) yes
C(1) C(8) 1.50(1) yes
C(2) C(3) 1.52(1) yes
C(3) C(4) 1.55(1) yes
C(4) C(5) 1.52(1) yes
C(5) C(6) 1.44(1) yes
C(6) C(7) 1.51(1) yes
C(7) C(8) 1.57(1) yes
C(11A) C(12A) 1.40(2) yes
C(11A) C(16A) 1.49(2) yes
C(11B) C(12B) 1.38(1) yes
C(11B) C(16B) 1.50(2) yes
C(12A) C(13A) 1.38(2) yes
C(12B) C(13B) 1.40(2) yes
C(13A) C(14A) 1.40(2) yes
C(13B) C(14B) 1.39(2) yes
C(14A) C(15A) 1.35(2) yes
C(14B) C(15B) 1.35(2) yes
C(21A) C(22A) 1.38(1) yes
C(21A) C(26A) 1.39(2) yes
C(21B) C(22B) 1.42(2) yes
C(21B) C(26B) 1.36(1) yes
C(22A) C(23A) 1.40(2) yes
C(22B) C(23B) 1.39(2) yes
C(23A) C(24A) 1.37(2) yes
C(23B) C(24B) 1.38(2) yes
C(24A) C(25A) 1.37(2) yes
C(24B) C(25B) 1.37(2) yes
C(25A) C(26A) 1.37(2) yes
C(25B) C(26B) 1.38(2) yes
C(31A) C(32A) 1.39(1) yes
C(31A) C(36A) 1.39(1) yes
C(31B) C(32B) 1.39(2) yes
C(31B) C(36B) 1.38(1) yes
C(32A) C(33A) 1.40(1) yes
C(32B) C(33B) 1.40(1) yes
C(33A) C(34A) 1.39(2) yes
C(33B) C(34B) 1.37(2) yes
C(34A) C(35A) 1.37(2) yes
C(34B) C(35B) 1.38(2) yes
C(35A) C(36A) 1.40(1) yes
C(35B) C(36B) 1.39(1) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Cl(1) F(4) 3.30(1) 2_666
Cl(1) O(02A) 3.34(1) 2_666
Cl(1) F(2) 3.52(1) 2_666
Cl(1) Cl(1) 3.597(7) 2_666
Cl(3) O(01A) 3.35(1) 2_666
Cl(7) Cl(10) 3.354(9) 2_667
Cl(8) O(02B) 3.41(1) 1_455
Cl(9) O(01B) 3.58(1) 1_455
Cl(11) F(1) 3.47(2) 2_666
F(1) C(16A) 3.31(1) 2_656
F(1) C(16B) 3.45(1) 2_666
F(1) C(44) 3.49(2) 2_666
F(1) C(32A) 3.54(1) 2_656
F(1) C(12B) 3.57(1) 2_666
F(2) C(8) 3.24(1) 2_666
F(2) C(7) 3.35(1) 2_666
F(2) C(44) 3.35(2) 2_666
F(2) C(6) 3.50(1) 2_666
F(3) C(32A) 3.38(2) 2_656
F(4) C(16B) 3.36(1) 2_666
F(4) C(26B) 3.38(2) 2_666
F(4) C(12A) 3.50(2) 2_656
F(5) C(32B) 3.52(2) 2_777
F(5) C(12B) 3.59(2) 2_777
F(5) C(43) 3.59(2) 2_667
F(6) C(16B) 3.53(2) 2_777
F(6) C(32B) 3.53(2) 2_777
F(6) C(12A) 3.55(2) 2_767
F(6) C(16A) 3.59(2) 2_767
F(7) C(16A) 3.35(2) 2_767
F(7) C(2) 3.37(2) 2_767
F(7) C(3) 3.55(2) 2_767
F(8) C(42) 3.08(3) 2_767
F(8) C(43) 3.22(2) 2_667
O(02A) C(13A) 3.45(1) 2_656
O(02A) C(25B) 3.51(2) 2_666
O(02B) C(25A) 3.22(2) 2_767
O(02B) C(24A) 3.37(2) 2_767
C(32B) C(34A) 3.54(2) 1_665
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
Ir(1) P(1) C(16A) C(11A) -31.7(5) yes
Ir(1) P(1) C(21A) C(22A) 36.1(10) yes
Ir(1) P(1) C(21A) C(26A) -146.6(7) yes
Ir(1) P(1) C(31A) C(32A) 149.4(8) yes
Ir(1) P(1) C(31A) C(36A) -31(1) yes
Ir(1) N(1) C(11A) C(12A) -178.6(6) yes
Ir(1) N(1) C(11A) C(16A) 0.0(10) yes
Ir(1) N(1) C(15A) C(14A) 177.9(8) yes
Ir(1) C(1) C(2) C(3) -115.0(9) yes
Ir(1) C(1) C(8) C(7) 162.8(6) yes
Ir(1) C(2) C(1) C(8) 117.9(9) yes
Ir(1) C(2) C(3) C(4) -161.2(7) yes
Ir(2) P(2) C(16B) C(11B) 39.8(6) yes
Ir(2) P(2) C(21B) C(22B) -65.9(8) yes
Ir(2) P(2) C(21B) C(26B) 113.6(9) yes
Ir(2) P(2) C(31B) C(32B) -152.9(7) yes
Ir(2) P(2) C(31B) C(36B) 29(1) yes
Ir(2) N(2) C(11B) C(12B) -174.1(6) yes
Ir(2) N(2) C(11B) C(16B) 4.3(10) yes
Ir(2) N(2) C(15B) C(14B) 174.2(7) yes
Ir(2) C(5) C(4) C(3) -162.5(6) yes
Ir(2) C(5) C(6) C(7) 115.5(9) yes
Ir(2) C(6) C(5) C(4) -112.6(9) yes
Ir(2) C(6) C(7) C(8) 161.2(6) yes
P(1) Ir(1) N(1) C(11A) -17.3(6) yes
P(1) Ir(1) N(1) C(15A) 162.1(7) yes
P(1) Ir(1) C(1) C(2) -16.2(7) yes
P(1) Ir(1) C(1) C(8) -136.1(6) yes
P(1) Ir(1) C(01A) O(01A) -135.2 yes
P(1) Ir(1) C(2) C(1) 168.3(5) yes
P(1) Ir(1) C(2) C(3) -74.0(8) yes
P(1) Ir(1) C(02A) O(02A) -31(35) yes
P(1) C(16A) C(11A) N(1) 24.1(9) yes
P(1) C(16A) C(11A) C(12A) -157.4(7) yes
P(1) C(21A) C(22A) C(23A) 177.0(9) yes
P(1) C(21A) C(26A) C(25A) -176.0(9) yes
P(1) C(31A) C(32A) C(33A) 179.4(9) yes
P(1) C(31A) C(36A) C(35A) -179.0(9) yes
P(2) Ir(2) N(2) C(11B) 18.5(6) yes
P(2) Ir(2) N(2) C(15B) -158.6(7) yes
P(2) Ir(2) C(01B) O(01B) -4(28) yes
P(2) Ir(2) C(02B) O(02B) 140(9) yes
P(2) Ir(2) C(5) C(4) 124.1(6) yes
P(2) Ir(2) C(5) C(6) 6.6(7) yes
P(2) Ir(2) C(6) C(5) -175.3(5) yes
P(2) Ir(2) C(6) C(7) 65.1(7) yes
P(2) C(16B) C(11B) N(2) -32.2(9) yes
P(2) C(16B) C(11B) C(12B) 146.2(7) yes
P(2) C(21B) C(22B) C(23B) 178.2(9) yes
P(2) C(21B) C(26B) C(25B) -179.4(9) yes
P(2) C(31B) C(32B) C(33B) -179.5(9) yes
P(2) C(31B) C(36B) C(35B) 178.8(9) yes
O(01A) C(01A) Ir(1) N(1) 77.9 yes
O(01A) C(01A) Ir(1) C(1) 89.4 yes
O(01A) C(01A) Ir(1) C(2) 128.0 yes
O(01A) C(01A) Ir(1) C(02A) -26.0 yes
O(01B) C(01B) Ir(2) N(2) 10(31) yes
O(01B) C(01B) Ir(2) C(02B) -120(28) yes
O(01B) C(01B) Ir(2) C(5) 131(28) yes
O(01B) C(01B) Ir(2) C(6) 92(28) yes
O(02A) C(02A) Ir(1) N(1) 48(35) yes
O(02A) C(02A) Ir(1) C(1) 133(35) yes
O(02A) C(02A) Ir(1) C(01A) -131(35) yes
O(02A) C(02A) Ir(1) C(2) 129(34) yes
O(02B) C(02B) Ir(2) N(2) 60(9) yes
O(02B) C(02B) Ir(2) C(01B) -123(9) yes
O(02B) C(02B) Ir(2) C(5) -29(9) yes
O(02B) C(02B) Ir(2) C(6) -22(10) yes
N(1) Ir(1) P(1) C(16A) 23.8(3) yes
N(1) Ir(1) P(1) C(21A) 136.8(4) yes
N(1) Ir(1) P(1) C(31A) -91.0(4) yes
N(1) Ir(1) C(1) C(2) -88.8(6) yes
N(1) Ir(1) C(1) C(8) 151.4(7) yes
N(1) Ir(1) C(2) C(1) 88.1(6) yes
N(1) Ir(1) C(2) C(3) -154.1(8) yes
N(1) C(11A) C(12A) C(13A) 0(1) yes
N(1) C(15A) C(14A) C(13A) 0(1) yes
N(2) Ir(2) P(2) C(16B) -28.7(3) yes
N(2) Ir(2) P(2) C(21B) -144.4(4) yes
N(2) Ir(2) P(2) C(31B) 83.9(4) yes
N(2) Ir(2) C(5) C(4) -161.2(7) yes
N(2) Ir(2) C(5) C(6) 81.3(5) yes
N(2) Ir(2) C(6) C(5) -96.5(5) yes
N(2) Ir(2) C(6) C(7) 143.9(8) yes
N(2) C(11B) C(12B) C(13B) -2(1) yes
N(2) C(15B) C(14B) C(13B) 1(1) yes
C(1) Ir(1) P(1) C(16A) -50.7(4) yes
C(1) Ir(1) P(1) C(21A) 62.3(5) yes
C(1) Ir(1) P(1) C(31A) -165.5(5) yes
C(1) Ir(1) N(1) C(11A) 118.2(6) yes
C(1) Ir(1) N(1) C(15A) -62.4(7) yes
C(1) Ir(1) C(2) C(3) 117.8(10) yes
C(1) C(2) Ir(1) C(01A) -91.6(6) yes
C(1) C(2) Ir(1) C(02A) 6(1) yes
C(1) C(2) C(3) C(4) -75(1) yes
C(1) C(8) C(7) C(6) -107.1(9) yes
C(01A) Ir(1) P(1) C(16A) -156.0(4) yes
C(01A) Ir(1) P(1) C(21A) -43.0(5) yes
C(01A) Ir(1) P(1) C(31A) 89.2(5) yes
C(01A) Ir(1) N(1) C(11A) 129(58) yes
C(01A) Ir(1) N(1) C(15A) -50(58) yes
C(01A) Ir(1) C(1) C(2) 91.3(6) yes
C(01A) Ir(1) C(1) C(8) -28.6(8) yes
C(01A) Ir(1) C(2) C(3) 26.2(9) yes
C(01B) Ir(2) P(2) C(16B) 150.1(4) yes
C(01B) Ir(2) P(2) C(21B) 34.4(4) yes
C(01B) Ir(2) P(2) C(31B) -97.3(5) yes
C(01B) Ir(2) N(2) C(11B) 3(4) yes
C(01B) Ir(2) N(2) C(15B) -173(3) yes
C(01B) Ir(2) C(5) C(4) 22.8(8) yes
C(01B) Ir(2) C(5) C(6) -94.7(6) yes
C(01B) Ir(2) C(6) C(5) 88.2(6) yes
C(01B) Ir(2) C(6) C(7) -31.4(9) yes
C(2) Ir(1) P(1) C(16A) -60.8(4) yes
C(2) Ir(1) P(1) C(21A) 52.3(5) yes
C(2) Ir(1) P(1) C(31A) -175.5(5) yes
C(2) Ir(1) N(1) C(11A) 79.5(6) yes
C(2) Ir(1) N(1) C(15A) -101.1(7) yes
C(2) Ir(1) C(1) C(8) -119.9(9) yes
C(2) C(1) Ir(1) C(02A) -177.0(6) yes
C(2) C(1) C(8) C(7) 73(1) yes
C(2) C(3) C(4) C(5) 106.3(10) yes
C(02A) Ir(1) P(1) C(16A) 111.0(5) yes
C(02A) Ir(1) P(1) C(21A) -136.0(5) yes
C(02A) Ir(1) P(1) C(31A) -3.8(6) yes
C(02A) Ir(1) N(1) C(11A) -126.4(7) yes
C(02A) Ir(1) N(1) C(15A) 52.9(7) yes
C(02A) Ir(1) C(1) C(8) 63.1(8) yes
C(02A) Ir(1) C(2) C(3) 123(1) yes
C(02B) Ir(2) P(2) C(16B) -116.4(5) yes
C(02B) Ir(2) P(2) C(21B) 127.9(5) yes
C(02B) Ir(2) P(2) C(31B) -3.8(6) yes
C(02B) Ir(2) N(2) C(11B) 134.5(7) yes
C(02B) Ir(2) N(2) C(15B) -42.5(7) yes
C(02B) Ir(2) C(5) C(4) -68.8(8) yes
C(02B) Ir(2) C(5) C(6) 173.7(6) yes
C(02B) Ir(2) C(6) C(5) -10.7(9) yes
C(02B) Ir(2) C(6) C(7) -130.3(9) yes
C(3) C(2) C(1) C(8) 2(1) yes
C(3) C(4) C(5) C(6) -77(1) yes
C(4) C(5) Ir(2) C(6) 117.5(9) yes
C(4) C(5) C(6) C(7) 2(1) yes
C(5) Ir(2) P(2) C(16B) 50.0(4) yes
C(5) Ir(2) P(2) C(21B) -65.7(5) yes
C(5) Ir(2) P(2) C(31B) 162.6(5) yes
C(5) Ir(2) N(2) C(11B) -117.1(6) yes
C(5) Ir(2) N(2) C(15B) 65.8(7) yes
C(5) Ir(2) C(6) C(7) -119.6(10) yes
C(5) C(6) C(7) C(8) 73(1) yes
C(6) Ir(2) P(2) C(16B) 54.1(3) yes
C(6) Ir(2) P(2) C(21B) -61.6(4) yes
C(6) Ir(2) P(2) C(31B) 166.6(4) yes
C(6) Ir(2) N(2) C(11B) -79.3(6) yes
C(6) Ir(2) N(2) C(15B) 103.6(7) yes
C(11A) N(1) C(15A) C(14A) -2(1) yes
C(11A) C(12A) C(13A) C(14A) -2(1) yes
C(11A) C(16A) P(1) C(21A) -158.4(5) yes
C(11A) C(16A) P(1) C(31A) 91.4(6) yes
C(11B) N(2) C(15B) C(14B) -2(1) yes
C(11B) C(12B) C(13B) C(14B) 1(1) yes
C(11B) C(16B) P(2) C(21B) 164.2(6) yes
C(11B) C(16B) P(2) C(31B) -84.7(7) yes
C(12A) C(11A) N(1) C(15A) 2(1) yes
C(12A) C(13A) C(14A) C(15A) 1(1) yes
C(12B) C(11B) N(2) C(15B) 2(1) yes
C(12B) C(13B) C(14B) C(15B) -1(1) yes
C(13A) C(12A) C(11A) C(16A) -178.2(9) yes
C(13B) C(12B) C(11B) C(16B) 179.3(9) yes
C(15A) N(1) C(11A) C(16A) -179.3(7) yes
C(15B) N(2) C(11B) C(16B) -178.6(8) yes
C(16A) P(1) C(21A) C(22A) 146.3(9) yes
C(16A) P(1) C(21A) C(26A) -36.5(9) yes
C(16A) P(1) C(31A) C(32A) 39(1) yes
C(16A) P(1) C(31A) C(36A) -141.2(9) yes
C(16B) P(2) C(21B) C(22B) -176.5(8) yes
C(16B) P(2) C(21B) C(26B) 2(1) yes
C(16B) P(2) C(31B) C(32B) -43.8(10) yes
C(16B) P(2) C(31B) C(36B) 138.2(9) yes
C(21A) P(1) C(31A) C(32A) -70.8(10) yes
C(21A) P(1) C(31A) C(36A) 108.6(9) yes
C(21A) C(22A) C(23A) C(24A) 0(1) yes
C(21A) C(26A) C(25A) C(24A) -1(1) yes
C(21B) P(2) C(31B) C(32B) 69.4(9) yes
C(21B) P(2) C(31B) C(36B) -108.6(9) yes
C(21B) C(22B) C(23B) C(24B) 1(1) yes
C(21B) C(26B) C(25B) C(24B) 1(1) yes
C(22A) C(21A) P(1) C(31A) -101.5(9) yes
C(22A) C(21A) C(26A) C(25A) 1(1) yes
C(22A) C(23A) C(24A) C(25A) 0(1) yes
C(22B) C(21B) P(2) C(31B) 72.4(8) yes
C(22B) C(21B) C(26B) C(25B) 0(1) yes
C(22B) C(23B) C(24B) C(25B) 0(1) yes
C(23A) C(22A) C(21A) C(26A) 0(1) yes
C(23A) C(24A) C(25A) C(26A) 1(1) yes
C(23B) C(22B) C(21B) C(26B) -1(1) yes
C(23B) C(24B) C(25B) C(26B) 0(1) yes
C(26A) C(21A) P(1) C(31A) 75.7(9) yes
C(26B) C(21B) P(2) C(31B) -108.1(9) yes
C(31A) C(32A) C(33A) C(34A) 1(1) yes
C(31A) C(36A) C(35A) C(34A) -2(1) yes
C(31B) C(32B) C(33B) C(34B) 2(1) yes
C(31B) C(36B) C(35B) C(34B) -1(1) yes
C(32A) C(31A) C(36A) C(35A) 0(1) yes
C(32A) C(33A) C(34A) C(35A) -3(1) yes
C(32B) C(31B) C(36B) C(35B) 0(1) yes
C(32B) C(33B) C(34B) C(35B) -3(1) yes
C(33A) C(32A) C(31A) C(36A) 0(1) yes
C(33A) C(34A) C(35A) C(36A) 4(1) yes
C(33B) C(32B) C(31B) C(36B) -1(1) yes
C(33B) C(34B) C(35B) C(36B) 2(1) yes
C(33B) C(34B) C(35B) C(36B) 2(1) yes
