#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:21:01 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180035 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/29/7032983.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_7032983
loop_
_publ_author_name
'Lin, Cheng-Huei'
'Liao, Jia-Ling'
'Wu, Yu-Sin'
'Liao, Kuan-Yu'
'Chi, Yun'
'Chen, Chi-Lin'
'Lee, Gene-Hsiang'
'Chou, Pi-Tai'
_publ_section_title
;
 A new insight into the chemistry of iridium(iii) complexes bearing phenyl
 phenylphosphonite cyclometalate and chelating pyridyl triazolate: the
 excited-state proton transfer tautomerism via an inter-ligand PO-HN
 hydrogen bond.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8406
_journal_page_last               8418
_journal_paper_doi               10.1039/c4dt02922d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C86 H88 Ir2 N8 Na2 O10 P4'
_chemical_formula_weight         1947.90
_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_method           SHELXL-97
_cell_angle_alpha                96.292(2)
_cell_angle_beta                 109.712(2)
_cell_angle_gamma                114.102(2)
_cell_formula_units_Z            1
_cell_length_a                   12.3478(10)
_cell_length_b                   12.8587(11)
_cell_length_c                   15.8042(13)
_cell_measurement_reflns_used    4365
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      22.50
_cell_measurement_theta_min      2.23
_cell_volume                     2065.1(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega 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  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0650
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24667
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    3.370
_exptl_absorpt_correction_T_max  0.6684
_exptl_absorpt_correction_T_min  0.4862
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.367
_refine_diff_density_min         -0.779
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     500
_refine_ls_number_reflns         9422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0205P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0670
_refine_ls_wR_factor_ref         0.0699
_reflns_number_gt                8397
_reflns_number_total             9422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02922d1.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 2827 2014-09-09 07:05:25Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7032978--7032983.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7032983
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir Ir 0.349948(13) 0.228386(12) 0.281843(9) 0.01470(5) Uani 1 1 d . A .
Na Na 0.10122(14) 0.13021(12) -0.00935(10) 0.0228(3) Uani 1 1 d . . .
P1 P 0.13266(9) 0.11079(8) 0.21208(6) 0.0168(2) Uani 1 1 d . . .
P2 P 0.41102(9) 0.08343(8) 0.28654(7) 0.0196(2) Uani 1 1 d . . .
O1 O 0.0723(2) 0.1996(2) 0.23158(17) 0.0215(6) Uani 1 1 d . . .
O2 O 0.0649(2) 0.0501(2) 0.10727(16) 0.0223(6) Uani 1 1 d . . .
O3 O 0.4080(3) 0.0471(2) 0.38148(17) 0.0240(6) Uani 1 1 d . A .
O4 O 0.1416(3) 0.3199(2) -0.02610(18) 0.0305(7) Uani 1 1 d . . .
H4 H 0.1648 0.3531 -0.0589 0.046 Uiso 1 1 d R . .
O5 O 0.2228(3) 0.4811(2) -0.1217(2) 0.0312(7) Uani 1 1 d . . .
H5 H 0.2971 0.5295 -0.1162 0.047 Uiso 1 1 calc R . .
N1 N 0.5517(3) 0.3648(3) 0.3471(2) 0.0169(6) Uani 1 1 d . . .
N2 N 0.3945(3) 0.2672(2) 0.16673(19) 0.0164(6) Uani 1 1 d . . .
N3 N 0.3368(3) 0.2150(3) 0.07151(19) 0.0187(7) Uani 1 1 d . A .
N4 N 0.5456(3) 0.3533(3) 0.1140(2) 0.0201(7) Uani 1 1 d . . .
C1 C 0.6261(4) 0.4122(3) 0.4395(2) 0.0206(8) Uani 1 1 d . A .
H1 H 0.5882 0.3852 0.4813 0.025 Uiso 1 1 calc R . .
C2 C 0.7550(4) 0.4981(3) 0.4765(3) 0.0252(9) Uani 1 1 d . . .
H2 H 0.8059 0.5279 0.5425 0.030 Uiso 1 1 calc R A .
C3 C 0.8091(4) 0.5403(4) 0.4159(3) 0.0295(10) Uani 1 1 d . A .
H3 H 0.8982 0.5992 0.4399 0.035 Uiso 1 1 calc R . .
C4 C 0.7331(4) 0.4964(3) 0.3203(3) 0.0259(9) Uani 1 1 d . . .
H4A H 0.7677 0.5265 0.2777 0.031 Uiso 1 1 calc R A .
C5 C 0.6053(4) 0.4076(3) 0.2881(2) 0.0185(8) Uani 1 1 d . A .
C6 C 0.5166(3) 0.3476(3) 0.1889(2) 0.0174(8) Uani 1 1 d . A .
C7 C 0.4316(4) 0.2694(3) 0.0435(2) 0.0190(8) Uani 1 1 d . A .
C8 C 0.4164(4) 0.2343(4) -0.0558(3) 0.0242(9) Uani 1 1 d . . .
C9 C 0.2782(4) 0.1369(4) -0.1198(3) 0.0373(11) Uani 1 1 d . A .
H9A H 0.2566 0.0689 -0.0942 0.056 Uiso 1 1 calc R . .
H9B H 0.2727 0.1118 -0.1826 0.056 Uiso 1 1 calc R . .
H9C H 0.2163 0.1675 -0.1238 0.056 Uiso 1 1 calc R . .
C10 C 0.4469(5) 0.3430(4) -0.0936(3) 0.0540(15) Uani 1 1 d . A .
H10A H 0.3837 0.3714 -0.0957 0.081 Uiso 1 1 calc R . .
H10B H 0.4408 0.3206 -0.1570 0.081 Uiso 1 1 calc R . .
H10C H 0.5355 0.4063 -0.0523 0.081 Uiso 1 1 calc R . .
C11 C 0.5121(5) 0.1873(5) -0.0541(3) 0.0599(16) Uani 1 1 d . A .
H11A H 0.6016 0.2498 -0.0140 0.090 Uiso 1 1 calc R . .
H11B H 0.5038 0.1634 -0.1180 0.090 Uiso 1 1 calc R . .
H11C H 0.4923 0.1184 -0.0294 0.090 Uiso 1 1 calc R . .
C12 C 0.2922(3) 0.3585(3) 0.2912(2) 0.0168(8) Uani 1 1 d . . .
C13 C 0.3707(4) 0.4831(3) 0.3205(2) 0.0214(8) Uani 1 1 d . A .
H13 H 0.4624 0.5148 0.3403 0.026 Uiso 1 1 calc R . .
C14 C 0.3202(4) 0.5617(3) 0.3217(3) 0.0252(9) Uani 1 1 d . . .
H14 H 0.3772 0.6450 0.3422 0.030 Uiso 1 1 calc R A .
C15 C 0.1872(4) 0.5188(3) 0.2929(3) 0.0258(9) Uani 1 1 d . A .
H15 H 0.1524 0.5723 0.2936 0.031 Uiso 1 1 calc R . .
C16 C 0.1045(4) 0.3963(3) 0.2630(2) 0.0222(8) Uani 1 1 d . . .
H16 H 0.0128 0.3652 0.2429 0.027 Uiso 1 1 calc R A .
C17 C 0.1585(4) 0.3207(3) 0.2630(2) 0.0191(8) Uani 1 1 d . A .
C18 C 0.0619(3) 0.0009(3) 0.2672(2) 0.0199(8) Uani 1 1 d . . .
C19 C 0.0190(4) 0.0266(4) 0.3345(3) 0.0278(9) Uani 1 1 d . . .
H19 H 0.0298 0.1041 0.3541 0.033 Uiso 1 1 calc R . .
C20 C -0.0388(4) -0.0608(4) 0.3722(3) 0.0378(12) Uani 1 1 d . . .
H20 H -0.0699 -0.0436 0.4164 0.045 Uiso 1 1 calc R . .
C21 C -0.0519(4) -0.1720(4) 0.3468(3) 0.0414(12) Uani 1 1 d . . .
H21 H -0.0909 -0.2311 0.3738 0.050 Uiso 1 1 calc R . .
C22 C -0.0084(4) -0.1981(4) 0.2822(3) 0.0377(11) Uani 1 1 d . . .
H22 H -0.0168 -0.2750 0.2649 0.045 Uiso 1 1 calc R . .
C23 C 0.0479(4) -0.1120(3) 0.2419(3) 0.0256(9) Uani 1 1 d . . .
H23 H 0.0770 -0.1308 0.1968 0.031 Uiso 1 1 calc R . .
C24 C 0.3465(3) 0.2018(3) 0.4072(2) 0.0170(8) Uani 1 1 d . . .
C25 C 0.3206(4) 0.2624(3) 0.4698(2) 0.0220(8) Uani 1 1 d . A .
H25 H 0.3001 0.3234 0.4543 0.026 Uiso 1 1 calc R . .
C26 C 0.3232(4) 0.2380(4) 0.5543(3) 0.0271(9) Uani 1 1 d . . .
H26 H 0.3039 0.2814 0.5943 0.033 Uiso 1 1 calc R A .
C27 C 0.3538(4) 0.1506(4) 0.5792(3) 0.0312(10) Uani 1 1 d . A .
H27 H 0.3545 0.1328 0.6361 0.037 Uiso 1 1 calc R . .
C28 C 0.3836(4) 0.0887(3) 0.5207(3) 0.0274(9) Uani 1 1 d . . .
H28 H 0.4069 0.0297 0.5377 0.033 Uiso 1 1 calc R A .
C29 C 0.3787(4) 0.1148(3) 0.4375(2) 0.0212(8) Uani 1 1 d . A .
C30 C 0.3194(4) -0.0589(3) 0.1977(3) 0.0216(8) Uani 1 1 d . A .
C31 C 0.2542(4) -0.0643(4) 0.1051(3) 0.0267(9) Uani 1 1 d . . .
H31 H 0.2624 0.0064 0.0884 0.032 Uiso 1 1 calc R A .
C32 C 0.1773(4) -0.1736(4) 0.0373(3) 0.0312(10) Uani 1 1 d . A .
H32 H 0.1332 -0.1775 -0.0262 0.037 Uiso 1 1 calc R . .
C33 C 0.1642(4) -0.2763(4) 0.0611(3) 0.0382(11) Uani 1 1 d . . .
H33 H 0.1085 -0.3512 0.0146 0.046 Uiso 1 1 calc R A .
C34 C 0.2317(4) -0.2709(4) 0.1524(3) 0.0353(11) Uani 1 1 d . A .
H34 H 0.2248 -0.3420 0.1679 0.042 Uiso 1 1 calc R . .
C35 C 0.3092(4) -0.1634(3) 0.2213(3) 0.0296(10) Uani 1 1 d . . .
H35 H 0.3553 -0.1602 0.2842 0.036 Uiso 1 1 calc R A .
C36 C 0.5831(9) 0.1306(8) 0.3152(6) 0.0192(12) Uiso 0.562(10) 1 d P A 1
C37 C 0.6201(9) 0.1236(8) 0.2407(7) 0.0300(15) Uiso 0.562(10) 1 d P A 1
H37 H 0.5550 0.0902 0.1779 0.036 Uiso 0.562(10) 1 calc PR A 1
C38 C 0.7522(11) 0.1653(9) 0.2579(8) 0.0407(18) Uiso 0.562(10) 1 d P A 1
H38 H 0.7773 0.1597 0.2077 0.049 Uiso 0.562(10) 1 calc PR A 1
C39 C 0.8429(10) 0.2140(8) 0.3485(8) 0.0383(17) Uiso 0.562(10) 1 d P A 1
H39 H 0.9330 0.2452 0.3618 0.046 Uiso 0.562(10) 1 calc PR A 1
C40 C 0.8056(9) 0.2189(8) 0.4223(7) 0.0362(16) Uiso 0.562(10) 1 d P A 1
H40 H 0.8703 0.2508 0.4853 0.043 Uiso 0.562(10) 1 calc PR A 1
C41 C 0.6766(9) 0.1781(8) 0.4050(6) 0.0264(13) Uiso 0.562(10) 1 d P A 1
H41 H 0.6525 0.1830 0.4558 0.032 Uiso 0.562(10) 1 calc PR A 1
C36' C 0.5727(11) 0.1226(10) 0.2904(8) 0.0192(12) Uiso 0.438(10) 1 d P A 2
C37' C 0.5991(12) 0.1273(10) 0.2123(9) 0.0300(15) Uiso 0.438(10) 1 d P A 2
H37' H 0.5306 0.1066 0.1524 0.036 Uiso 0.438(10) 1 calc PR A 2
C38' C 0.7218(12) 0.1611(11) 0.2208(10) 0.0407(18) Uiso 0.438(10) 1 d P A 2
H38' H 0.7391 0.1639 0.1667 0.049 Uiso 0.438(10) 1 calc PR A 2
C39' C 0.8230(14) 0.1920(12) 0.3076(11) 0.0383(17) Uiso 0.438(10) 1 d P A 2
H39' H 0.9073 0.2117 0.3103 0.046 Uiso 0.438(10) 1 calc PR A 2
C40' C 0.8085(12) 0.1957(10) 0.3883(10) 0.0362(16) Uiso 0.438(10) 1 d P A 2
H40' H 0.8800 0.2202 0.4474 0.043 Uiso 0.438(10) 1 calc PR A 2
C41' C 0.6773(11) 0.1598(10) 0.3792(8) 0.0264(13) Uiso 0.438(10) 1 d P A 2
H41' H 0.6609 0.1612 0.4338 0.032 Uiso 0.438(10) 1 calc PR A 2
C42 C 0.1998(5) 0.4076(4) 0.0612(3) 0.0470(13) Uani 1 1 d . . .
H42A H 0.1553 0.3756 0.1006 0.071 Uiso 1 1 calc R . .
H42B H 0.1918 0.4782 0.0502 0.071 Uiso 1 1 calc R . .
H42C H 0.2925 0.4294 0.0930 0.071 Uiso 1 1 calc R . .
C43 C 0.1366(4) 0.5299(4) -0.1493(3) 0.0376(11) Uani 1 1 d . . .
H43A H 0.1819 0.6141 -0.1138 0.056 Uiso 1 1 calc R . .
H43B H 0.0602 0.4869 -0.1366 0.056 Uiso 1 1 calc R . .
H43C H 0.1080 0.5224 -0.2166 0.056 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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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
C24 Ir C12 92.66(13) . .
C24 Ir N2 168.42(12) . .
C12 Ir N2 92.53(12) . .
C24 Ir N1 93.57(12) . .
C12 Ir N1 89.66(12) . .
N2 Ir N1 76.12(11) . .
C24 Ir P1 88.64(10) . .
C12 Ir P1 81.26(10) . .
N2 Ir P1 102.37(8) . .
N1 Ir P1 170.76(8) . .
C24 Ir P2 81.04(11) . .
C12 Ir P2 173.70(9) . .
N2 Ir P2 93.71(8) . .
N1 Ir P2 91.01(8) . .
P1 Ir P2 98.20(4) . .
O2 Na O2 84.46(10) 2 .
O2 Na O4 128.63(11) 2 .
O2 Na O4 129.76(11) . .
O2 Na N3 134.94(12) 2 .
O2 Na N3 93.50(10) . .
O4 Na N3 86.11(11) . .
O2 Na Na 42.45(7) 2 2
O2 Na Na 42.01(7) . 2
O4 Na Na 148.59(11) . 2
N3 Na Na 121.09(10) . 2
O2 P1 O1 106.73(14) . .
O2 P1 C18 106.77(15) . .
O1 P1 C18 98.98(16) . .
O2 P1 Ir 119.99(11) . .
O1 P1 Ir 104.31(9) . .
C18 P1 Ir 117.37(12) . .
O3 P2 C30 103.15(15) . .
O3 P2 C36 98.0(3) . .
C30 P2 C36 106.1(3) . .
O3 P2 C36' 108.0(4) . .
C30 P2 C36' 98.4(4) . .
C36 P2 C36' 11.2(4) . .
O3 P2 Ir 105.61(10) . .
C30 P2 Ir 123.41(13) . .
C36 P2 Ir 116.5(3) . .
C36' P2 Ir 116.9(4) . .
C17 O1 P1 116.2(2) . .
P1 O2 Na 136.64(15) . 2
P1 O2 Na 127.74(14) . .
Na O2 Na 95.54(10) 2 .
C29 O3 P2 115.3(2) . .
C42 O4 Na 112.8(2) . .
C1 N1 C5 118.0(3) . .
C1 N1 Ir 125.8(2) . .
C5 N1 Ir 116.1(2) . .
C6 N2 N3 107.1(3) . .
C6 N2 Ir 115.6(2) . .
N3 N2 Ir 136.0(2) . .
C7 N3 N2 104.4(3) . .
C7 N3 Na 131.0(2) . .
N2 N3 Na 117.8(2) . .
C6 N4 C7 101.9(3) . .
N1 C1 C2 122.8(3) . .
C1 C2 C3 118.7(3) . .
C4 C3 C2 119.6(4) . .
C3 C4 C5 118.4(4) . .
N1 C5 C4 122.3(3) . .
N1 C5 C6 113.3(3) . .
C4 C5 C6 124.3(3) . .
N2 C6 N4 112.9(3) . .
N2 C6 C5 118.6(3) . .
N4 C6 C5 128.0(3) . .
N3 C7 N4 113.7(3) . .
N3 C7 C8 123.4(3) . .
N4 C7 C8 122.6(3) . .
C7 C8 C9 111.2(3) . .
C7 C8 C11 107.8(3) . .
C9 C8 C11 108.8(4) . .
C7 C8 C10 109.8(3) . .
C9 C8 C10 109.1(3) . .
C11 C8 C10 110.1(4) . .
C17 C12 C13 114.1(3) . .
C17 C12 Ir 117.6(3) . .
C13 C12 Ir 128.3(3) . .
C14 C13 C12 123.1(4) . .
C15 C14 C13 120.1(4) . .
C14 C15 C16 119.5(4) . .
C17 C16 C15 118.8(4) . .
C16 C17 O1 116.7(3) . .
C16 C17 C12 124.5(3) . .
O1 C17 C12 118.8(3) . .
C23 C18 C19 118.6(3) . .
C23 C18 P1 119.7(3) . .
C19 C18 P1 121.7(3) . .
C20 C19 C18 119.9(4) . .
C21 C20 C19 120.9(4) . .
C20 C21 C22 119.9(4) . .
C21 C22 C23 120.2(4) . .
C18 C23 C22 120.5(4) . .
C25 C24 C29 113.9(3) . .
C25 C24 Ir 128.2(3) . .
C29 C24 Ir 117.8(3) . .
C24 C25 C26 123.4(4) . .
C27 C26 C25 119.8(4) . .
C26 C27 C28 119.7(4) . .
C29 C28 C27 118.7(4) . .
C28 C29 O3 115.3(3) . .
C28 C29 C24 124.6(4) . .
O3 C29 C24 120.1(3) . .
C31 C30 C35 119.9(4) . .
C31 C30 P2 118.9(3) . .
C35 C30 P2 121.2(3) . .
C32 C31 C30 119.5(4) . .
C33 C32 C31 120.6(4) . .
C32 C33 C34 120.1(4) . .
C33 C34 C35 120.7(4) . .
C34 C35 C30 119.3(4) . .
C41 C36 C37 119.4(8) . .
C41 C36 P2 122.5(6) . .
C37 C36 P2 118.0(6) . .
C38 C37 C36 120.8(8) . .
C39 C38 C37 118.0(9) . .
C38 C39 C40 120.9(9) . .
C41 C40 C39 120.7(8) . .
C36 C41 C40 120.1(8) . .
C37' C36' C41' 118.9(11) . .
C37' C36' P2 123.2(8) . .
C41' C36' P2 117.6(8) . .
C38' C37' C36' 120.1(11) . .
C37' C38' C39' 120.8(11) . .
C40' C39' C38' 123.6(12) . .
C39' C40' C41' 115.6(11) . .
C36' C41' C40' 121.0(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir C24 2.058(3) .
Ir C12 2.079(4) .
Ir N2 2.124(3) .
Ir N1 2.156(3) .
Ir P1 2.2419(9) .
Ir P2 2.2779(10) .
Na O2 2.273(3) 2
Na O2 2.292(3) .
Na O4 2.346(3) .
Na N3 2.425(3) .
Na Na 3.380(3) 2
P1 O2 1.517(2) .
P1 O1 1.652(3) .
P1 C18 1.815(4) .
P2 O3 1.627(3) .
P2 C30 1.810(4) .
P2 C36 1.824(9) .
P2 C36' 1.826(12) .
O1 C17 1.387(4) .
O2 Na 2.273(3) 2
O3 C29 1.406(4) .
O4 C42 1.421(5) .
O5 C43 1.418(5) .
N1 C1 1.338(4) .
N1 C5 1.358(4) .
N2 C6 1.325(4) .
N2 N3 1.374(4) .
N3 C7 1.343(4) .
N4 C6 1.350(4) .
N4 C7 1.350(4) .
C1 C2 1.375(5) .
C2 C3 1.381(5) .
C3 C4 1.381(5) .
C4 C5 1.382(5) .
C5 C6 1.462(5) .
C7 C8 1.510(5) .
C8 C9 1.522(5) .
C8 C11 1.527(6) .
C8 C10 1.535(6) .
C12 C17 1.400(5) .
C12 C13 1.409(5) .
C13 C14 1.389(5) .
C14 C15 1.383(5) .
C15 C16 1.395(5) .
C16 C17 1.385(5) .
C18 C23 1.384(5) .
C18 C19 1.402(5) .
C19 C20 1.382(5) .
C20 C21 1.369(6) .
C21 C22 1.372(6) .
C22 C23 1.392(5) .
C24 C25 1.392(5) .
C24 C29 1.411(5) .
C25 C26 1.397(5) .
C26 C27 1.381(6) .
C27 C28 1.389(6) .
C28 C29 1.380(5) .
C30 C31 1.390(5) .
C30 C35 1.401(5) .
C31 C32 1.385(5) .
C32 C33 1.374(6) .
C33 C34 1.379(6) .
C34 C35 1.379(6) .
C36 C41 1.360(11) .
C36 C37 1.406(12) .
C37 C38 1.405(13) .
C38 C39 1.358(12) .
C39 C40 1.395(12) .
C40 C41 1.371(12) .
C36' C37' 1.380(15) .
C36' C41' 1.411(15) .
C37' C38' 1.347(16) .
C38' C39' 1.386(16) .
C39' C40' 1.345(16) .
C40' C41' 1.441(16) .
