#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/25/4342542.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_4342542
loop_
_publ_author_name
'Davidson, Jillian J.'
'DeMott, Jessica C.'
'Douvris, Christos'
'Fafard, Claudia M.'
'Bhuvanesh, Nattamai'
'Chen, Chun-Hsing'
'Herbert, David E.'
'Lee, Chun-I'
'McCulloch, Billy J.'
'Foxman, Bruce M.'
'Ozerov, Oleg V.'
_publ_section_title
;
 Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer
 Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2916
_journal_page_last               2935
_journal_paper_doi               10.1021/ic503062w
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C35.50 H42 N1 O1 P2 Rh1'
_chemical_formula_sum            'C35.5 H42 N O P2 Rh'
_chemical_formula_weight         663.58
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_audit_creation_date             2012-07-24
_audit_creation_method           CRYSTALS_ver_14.43
_cell_angle_alpha                90
_cell_angle_beta                 105.631(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.099(2)
_cell_length_b                   9.3360(8)
_cell_length_c                   15.1188(14)
_cell_measurement_reflns_used    9617
_cell_measurement_temperature    120
_cell_measurement_theta_max      30
_cell_measurement_theta_min      3
_cell_volume                     3275.8(5)
_computing_cell_refinement       'Apex2 (Bruker AXS, 2006)'
_computing_data_collection       'Apex2 (Bruker AXS, 2006)'
_computing_data_reduction        'CrysAlis, (Oxford Diffraction, 2002)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Bruker Kappa Apex2'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            93638
_diffrn_reflns_theta_full        30.057
_diffrn_reflns_theta_max         30.057
_diffrn_reflns_theta_min         1.755
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.647
_exptl_absorpt_correction_T_max  0.77
_exptl_absorpt_correction_T_min  0.73
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Siemens, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'prism fragment'
_exptl_crystal_F_000             1380
_exptl_crystal_size_max          0.646
_exptl_crystal_size_mid          0.478
_exptl_crystal_size_min          0.413
_refine_diff_density_max         0.79
_refine_diff_density_min         -0.40
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9840
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         9569
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.0047056
_refine_ls_shift/su_mean         0.0001912
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.02P)² + 3.51P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0653
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0653
_reflns_limit_h_max              32
_reflns_limit_h_min              -33
_reflns_limit_k_max              13
_reflns_limit_k_min              0
_reflns_limit_l_max              21
_reflns_limit_l_min              0
_reflns_number_gt                9233
_reflns_number_total             9569
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   1.64
_oxford_diffrn_Wilson_scale      121.44
_oxford_refine_ls_r_factor_ref   0.0282
_oxford_refine_ls_scale          0.094877(12)
_oxford_reflns_number_all        9569
_oxford_reflns_threshold_expression_ref I>-10.0\s(I)
_oxford_structure_analysis_title 'OZ140_0ma in P2(1)/c'
_cod_data_source_file            ic503062w_si_002.cif
_cod_data_source_block           6-RhCO
_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 3086 2015-02-26 13:12:21Z robertas 

 Adding full bibliography for 4342538--4342546.cif.
;
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_original_formula_sum        'C35.50 H42 N1 O1 P2 Rh1'
_cod_database_code               4342542
#BEGIN Tags that were not found in dictionaries:
_iucr_refine_instructions_details_constraints
;
BLOCK SCALE X'S, U'S 
RIDE C   (   1,X'S) H   (  11,X'S) 
RIDE C   (   2,X'S) H   (  21,X'S) H   (  22,X'S) H   (  23,X'S) 
RIDE C   (   3,X'S) H   (  31,X'S) H   (  32,X'S) H   (  33,X'S) 
RIDE C   (   4,X'S) H   (  41,X'S) 
RIDE C   (   5,X'S) H   (  51,X'S) H   (  52,X'S) H   (  53,X'S) 
RIDE C   (   6,X'S) H   (  61,X'S) H   (  62,X'S) H   (  63,X'S) 
RIDE C   (   8,X'S) H   (  81,X'S) 
RIDE C   (  10,X'S) H   ( 101,X'S) 
RIDE C   (  11,X'S) H   ( 111,X'S) 
RIDE C   (  13,X'S) H   ( 131,X'S) H   ( 132,X'S) H   ( 133,X'S) 
RIDE C   (  15,X'S) H   ( 151,X'S) 
RIDE C   (  16,X'S) H   ( 161,X'S) 
RIDE C   (  18,X'S) H   ( 181,X'S) 
RIDE C   (  20,X'S) H   ( 201,X'S) H   ( 202,X'S) H   ( 203,X'S) 
RIDE C   (  22,X'S) H   ( 221,X'S) 
RIDE C   (  23,X'S) H   ( 231,X'S) 
RIDE C   (  24,X'S) H   ( 241,X'S) 
RIDE C   (  25,X'S) H   ( 251,X'S) 
RIDE C   (  26,X'S) H   ( 261,X'S) 
RIDE C   (  28,X'S) H   ( 281,X'S) 
RIDE C   (  29,X'S) H   ( 291,X'S) 
RIDE C   (  30,X'S) H   ( 301,X'S) 
RIDE C   (  31,X'S) H   ( 311,X'S) 
RIDE C   (  32,X'S) H   ( 321,X'S) 
RIDE C   (  34,X'S) H   ( 341,X'S) H   ( 342,X'S) H   ( 343,X'S) 
RIDE C   (  35,X'S) H   ( 351,X'S) H   ( 352,X'S) 
RIDE C   (  36,X'S) H   ( 361,X'S) H   ( 362,X'S) 
RIDE C   (  37,X'S) H   ( 371,X'S) H   ( 372,X'S) 
RIDE C   (  38,X'S) H   ( 381,X'S) H   ( 382,X'S) H   ( 383,X'S) 
END                                                                             
;
_iucr_refine_instructions_details_restraints
;
NO 
REM   HREST   START (DO NOT REMOVE THIS LINE) 
REM   HREST   END (DO NOT REMOVE THIS LINE) 
DISTANCE 1.540000 , 0.010000 = C(36) TO C(37) 
END                                                                             
;
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.284354(4) 0.801047(11) 0.529860(8) 0.0212 1.0000 Uani . . .
P1 P 0.206836(15) 0.67478(4) 0.44532(3) 0.0201 1.0000 Uani . . .
P2 P 0.344006(14) 0.98511(4) 0.59282(3) 0.0187 1.0000 Uani . . .
O1 O 0.37068(6) 0.56673(16) 0.56878(13) 0.0615 1.0000 Uani . . .
N1 N 0.22490(5) 0.96546(13) 0.50651(10) 0.0256 1.0000 Uani . . .
C1 C 0.21536(7) 0.5577(2) 0.35233(11) 0.0318 1.0000 Uani . . .
C2 C 0.24603(8) 0.4190(2) 0.39137(14) 0.0409 1.0000 Uani . . .
C3 C 0.24882(10) 0.6379(3) 0.29532(14) 0.0521 1.0000 Uani . . .
C4 C 0.16666(6) 0.57055(18) 0.51095(11) 0.0280 1.0000 Uani . . .
C5 C 0.11108(7) 0.5027(2) 0.45311(14) 0.0398 1.0000 Uani . . .
C6 C 0.15538(9) 0.6642(3) 0.58650(13) 0.0442 1.0000 Uani . . .
C7 C 0.16008(6) 0.82059(17) 0.39203(11) 0.0245 1.0000 Uani . . .
C8 C 0.11293(7) 0.80507(19) 0.31468(12) 0.0301 1.0000 Uani . . .
C9 C 0.07992(7) 0.9223(2) 0.27452(12) 0.0362 1.0000 Uani . . .
C10 C 0.09585(7) 1.0551(2) 0.31392(14) 0.0397 1.0000 Uani . . .
C11 C 0.14215(7) 1.07407(19) 0.39076(14) 0.0360 1.0000 Uani . . .
C12 C 0.17571(6) 0.95557(17) 0.43266(12) 0.0266 1.0000 Uani . . .
C13 C 0.02969(8) 0.9051(3) 0.19007(14) 0.0491 1.0000 Uani . . .
C14 C 0.23530(6) 1.08247(16) 0.56612(11) 0.0244 1.0000 Uani . . .
C15 C 0.19240(7) 1.16581(18) 0.58896(13) 0.0315 1.0000 Uani . . .
C16 C 0.20683(8) 1.27646(18) 0.65170(12) 0.0332 1.0000 Uani . . .
C17 C 0.26369(8) 1.31364(18) 0.69451(11) 0.0313 1.0000 Uani . . .
C18 C 0.30655(7) 1.22836(17) 0.67531(11) 0.0263 1.0000 Uani . . .
C19 C 0.29298(6) 1.11406(15) 0.61411(10) 0.0224 1.0000 Uani . . .
C20 C 0.27779(10) 1.4386(2) 0.75924(14) 0.0455 1.0000 Uani . . .
C21 C 0.37903(6) 1.06599(16) 0.51289(10) 0.0224 1.0000 Uani . . .
C22 C 0.37641(7) 1.21039(17) 0.49178(11) 0.0274 1.0000 Uani . . .
C23 C 0.40461(8) 1.26424(19) 0.42981(12) 0.0339 1.0000 Uani . . .
C24 C 0.43499(10) 1.1756(2) 0.38897(16) 0.0493 1.0000 Uani . . .
C25 C 0.43789(16) 1.0316(3) 0.4095(2) 0.0904 1.0000 Uani . . .
C26 C 0.40979(13) 0.9770(2) 0.4709(2) 0.0677 1.0000 Uani . . .
C27 C 0.40261(6) 0.97017(16) 0.69788(10) 0.0220 1.0000 Uani . . .
C28 C 0.45185(6) 1.05609(19) 0.71305(11) 0.0281 1.0000 Uani . . .
C29 C 0.49719(7) 1.0402(2) 0.79186(12) 0.0366 1.0000 Uani . . .
C30 C 0.49344(9) 0.9406(2) 0.85656(13) 0.0405 1.0000 Uani . . .
C31 C 0.44526(10) 0.8566(2) 0.84403(13) 0.0423 1.0000 Uani . . .
C32 C 0.39945(8) 0.86898(19) 0.76355(12) 0.0334 1.0000 Uani . . .
C33 C 0.33689(7) 0.65661(18) 0.55318(13) 0.0340 1.0000 Uani . . .
H352 H 0.0114 0.5208 0.1172 0.1032 0.5000 Uiso R 1 1
H132 H 0.0243 0.8083 0.1711 0.0740 1.0000 Uiso R . .
H133 H 0.0352 0.9621 0.1420 0.0737 1.0000 Uiso R . .
H151 H 0.1532 1.1447 0.5623 0.0382 1.0000 Uiso R . .
H161 H 0.1773 1.3281 0.6665 0.0395 1.0000 Uiso R . .
H11 H 0.1771 0.5353 0.3157 0.0379 1.0000 Uiso R . .
H21 H 0.2841 0.4404 0.4305 0.0601 1.0000 Uiso R . .
H22 H 0.2496 0.3570 0.3433 0.0608 1.0000 Uiso R . .
H23 H 0.2267 0.3690 0.4295 0.0615 1.0000 Uiso R . .
H31 H 0.2880 0.6569 0.3322 0.0775 1.0000 Uiso R . .
H32 H 0.2511 0.5806 0.2433 0.0771 1.0000 Uiso R . .
H33 H 0.2315 0.7257 0.2735 0.0777 1.0000 Uiso R . .
H41 H 0.1927 0.4944 0.5390 0.0347 1.0000 Uiso R . .
H51 H 0.0939 0.4464 0.4911 0.0595 1.0000 Uiso R . .
H52 H 0.0843 0.5757 0.4249 0.0586 1.0000 Uiso R . .
H53 H 0.1176 0.4428 0.4052 0.0596 1.0000 Uiso R . .
H61 H 0.1401 0.6078 0.6276 0.0652 1.0000 Uiso R . .
H62 H 0.1903 0.7092 0.6212 0.0653 1.0000 Uiso R . .
H63 H 0.1278 0.7379 0.5609 0.0645 1.0000 Uiso R . .
H81 H 0.1037 0.7124 0.2887 0.0351 1.0000 Uiso R . .
H101 H 0.0755 1.1355 0.2878 0.0480 1.0000 Uiso R . .
H111 H 0.1524 1.1638 0.4139 0.0413 1.0000 Uiso R . .
H131 H -0.0042 0.9378 0.2027 0.0739 1.0000 Uiso R . .
H251 H 0.4586 0.9719 0.3820 0.1083 1.0000 Uiso R . .
H261 H 0.4112 0.8801 0.4848 0.0815 1.0000 Uiso R . .
H362 H 0.0065 0.3890 -0.0419 0.0929 0.5000 Uiso R 1 1
H291 H 0.5312 1.0998 0.8027 0.0449 1.0000 Uiso R . .
H181 H 0.3449 1.2478 0.7050 0.0312 1.0000 Uiso R . .
H201 H 0.3121 1.4229 0.8042 0.0695 1.0000 Uiso R . .
H202 H 0.2486 1.4577 0.7873 0.0685 1.0000 Uiso R . .
H203 H 0.2835 1.5228 0.7264 0.0681 1.0000 Uiso R . .
H221 H 0.3558 1.2710 0.5199 0.0341 1.0000 Uiso R . .
H231 H 0.4021 1.3603 0.4152 0.0418 1.0000 Uiso R . .
H241 H 0.4546 1.2122 0.3480 0.0593 1.0000 Uiso R . .
H311 H 0.4410 0.7900 0.8856 0.0516 1.0000 Uiso R . .
H321 H 0.3676 0.8134 0.7527 0.0351 1.0000 Uiso R . .
H281 H 0.4542 1.1268 0.6694 0.0342 1.0000 Uiso R . .
H342 H 0.0248 0.2872 0.1632 0.1079 0.5000 Uiso R 1 1
H301 H 0.5243 0.9280 0.9113 0.0502 1.0000 Uiso R . .
H361 H -0.0427 0.4342 0.0120 0.0932 0.5000 Uiso R 1 1
H381 H -0.0536 0.5005 -0.2036 0.1093 0.5000 Uiso R 1 1
H341 H 0.0740 0.2641 0.1244 0.1080 0.5000 Uiso R 1 1
H351 H 0.0700 0.5052 0.0703 0.1028 0.5000 Uiso R 1 1
H343 H 0.0935 0.3563 0.1752 0.1086 0.5000 Uiso R 1 1
H372 H -0.0460 0.6492 -0.0254 0.1710 0.5000 Uiso R 1 1
H383 H -0.0555 0.6262 -0.2054 0.1087 0.5000 Uiso R 1 1
H382 H -0.1044 0.5219 -0.1646 0.1095 0.5000 Uiso R 1 1
H371 H 0.0113 0.6376 -0.0699 0.1708 0.5000 Uiso R 1 1
C36 C -0.0081(3) 0.4542(5) -0.0048(4) 0.0622 0.5000 Uani D 1 1
C35 C 0.0357(3) 0.4740(9) 0.0851(5) 0.0676 0.5000 Uani . 1 1
C34 C 0.0494(3) 0.3390(7) 0.1340(6) 0.0773 0.5000 Uani . 1 1
C38 C -0.0647(3) 0.5519(8) -0.1547(4) 0.0731 0.5000 Uani . 1 1
C37 C -0.0229(4) 0.5991(10) -0.0584(7) 0.1024 0.5000 Uani D 1 1
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Rh -1.1178 0.9187 19.2957 0.7515 14.3501 8.2176 4.7343 25.8749 1.2892 98.6062
5.3280 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 . Rh1 P2 . 162.045(14) yes
P1 . Rh1 N1 . 82.12(4) yes
P2 . Rh1 N1 . 80.87(4) yes
P1 . Rh1 C33 . 98.48(5) yes
P2 . Rh1 C33 . 98.65(5) yes
N1 . Rh1 C33 . 178.71(7) yes
Rh1 . P1 C1 . 119.48(6) yes
Rh1 . P1 C4 . 116.14(5) yes
C1 . P1 C4 . 106.37(8) yes
Rh1 . P1 C7 . 100.24(5) yes
C1 . P1 C7 . 106.94(8) yes
C4 . P1 C7 . 106.41(7) yes
Rh1 . P2 C19 . 101.16(5) yes
Rh1 . P2 C21 . 112.96(5) yes
C19 . P2 C21 . 107.56(7) yes
Rh1 . P2 C27 . 124.02(5) yes
C19 . P2 C27 . 107.43(7) yes
C21 . P2 C27 . 102.81(7) yes
Rh1 . N1 C12 . 119.24(10) yes
Rh1 . N1 C14 . 118.43(9) yes
C12 . N1 C14 . 122.33(12) yes
P1 . C1 C2 . 110.54(12) yes
P1 . C1 C3 . 109.01(14) yes
C2 . C1 C3 . 111.08(16) yes
P1 . C1 H11 . 106.4 no
C2 . C1 H11 . 109.1 no
C3 . C1 H11 . 110.7 no
C1 . C2 H21 . 109.9 no
C1 . C2 H22 . 110.8 no
H21 . C2 H22 . 109.0 no
C1 . C2 H23 . 112.5 no
H21 . C2 H23 . 105.6 no
H22 . C2 H23 . 108.8 no
C1 . C3 H31 . 110.1 no
C1 . C3 H32 . 110.0 no
H31 . C3 H32 . 108.0 no
C1 . C3 H33 . 112.0 no
H31 . C3 H33 . 108.3 no
H32 . C3 H33 . 108.4 no
P1 . C4 C5 . 114.74(12) yes
P1 . C4 C6 . 109.14(12) yes
C5 . C4 C6 . 111.23(15) yes
P1 . C4 H41 . 104.6 no
C5 . C4 H41 . 108.2 no
C6 . C4 H41 . 108.6 no
C4 . C5 H51 . 109.9 no
C4 . C5 H52 . 110.1 no
H51 . C5 H52 . 108.2 no
C4 . C5 H53 . 112.1 no
H51 . C5 H53 . 108.7 no
H52 . C5 H53 . 107.8 no
C4 . C6 H61 . 110.4 no
C4 . C6 H62 . 110.8 no
H61 . C6 H62 . 108.6 no
C4 . C6 H63 . 110.7 no
H61 . C6 H63 . 108.1 no
H62 . C6 H63 . 108.3 no
P1 . C7 C8 . 124.11(13) yes
P1 . C7 C12 . 114.66(11) yes
C8 . C7 C12 . 121.20(14) yes
C7 . C8 C9 . 121.49(17) yes
C7 . C8 H81 . 119.0 no
C9 . C8 H81 . 119.5 no
C8 . C9 C10 . 117.18(16) yes
C8 . C9 C13 . 121.20(19) yes
C10 . C9 C13 . 121.61(17) yes
C9 . C10 C11 . 122.77(16) yes
C9 . C10 H101 . 119.3 no
C11 . C10 H101 . 117.9 no
C10 . C11 C12 . 120.56(18) yes
C10 . C11 H111 . 120.6 no
C12 . C11 H111 . 118.8 no
C11 . C12 C7 . 116.80(15) yes
C11 . C12 N1 . 124.48(15) yes
C7 . C12 N1 . 118.56(13) yes
C9 . C13 H132 . 111.7 no
C9 . C13 H133 . 110.2 no
H132 . C13 H133 . 110.1 no
C9 . C13 H131 . 109.6 no
H132 . C13 H131 . 108.5 no
H133 . C13 H131 . 106.5 no
N1 . C14 C15 . 125.06(14) yes
N1 . C14 C19 . 118.37(12) yes
C15 . C14 C19 . 116.33(15) yes
C14 . C15 C16 . 121.02(16) yes
C14 . C15 H151 . 119.8 no
C16 . C15 H151 . 119.2 no
C15 . C16 C17 . 122.64(14) yes
C15 . C16 H161 . 118.8 no
C17 . C16 H161 . 118.5 no
C16 . C17 C18 . 116.87(16) yes
C16 . C17 C20 . 121.20(16) yes
C18 . C17 C20 . 121.92(17) yes
C17 . C18 C19 . 121.40(15) yes
C17 . C18 H181 . 118.9 no
C19 . C18 H181 . 119.7 no
P2 . C19 C14 . 112.99(11) yes
P2 . C19 C18 . 125.35(12) yes
C14 . C19 C18 . 121.53(13) yes
C17 . C20 H201 . 110.8 no
C17 . C20 H202 . 112.3 no
H201 . C20 H202 . 109.2 no
C17 . C20 H203 . 109.8 no
H201 . C20 H203 . 106.5 no
H202 . C20 H203 . 108.1 no
P2 . C21 C22 . 123.98(12) yes
P2 . C21 C26 . 117.43(13) yes
C22 . C21 C26 . 118.59(15) yes
C21 . C22 C23 . 120.50(16) yes
C21 . C22 H221 . 119.0 no
C23 . C22 H221 . 120.5 no
C22 . C23 C24 . 120.44(17) yes
C22 . C23 H231 . 120.0 no
C24 . C23 H231 . 119.5 no
C23 . C24 C25 . 119.57(18) yes
C23 . C24 H241 . 120.4 no
C25 . C24 H241 . 120.0 no
C24 . C25 C26 . 120.3(2) yes
C24 . C25 H251 . 119.5 no
C26 . C25 H251 . 120.2 no
C25 . C26 C21 . 120.56(19) yes
C25 . C26 H261 . 121.0 no
C21 . C26 H261 . 118.4 no
P2 . C27 C28 . 121.49(12) yes
P2 . C27 C32 . 119.75(12) yes
C28 . C27 C32 . 118.73(15) yes
C27 . C28 C29 . 121.01(16) yes
C27 . C28 H281 . 119.6 no
C29 . C28 H281 . 119.4 no
C28 . C29 C30 . 119.76(18) yes
C28 . C29 H291 . 121.2 no
C30 . C29 H291 . 119.0 no
C29 . C30 C31 . 120.38(17) yes
C29 . C30 H301 . 120.9 no
C31 . C30 H301 . 118.7 no
C30 . C31 C32 . 120.62(17) yes
C30 . C31 H311 . 123.1 no
C32 . C31 H311 . 116.3 no
C31 . C32 C27 . 119.47(17) yes
C31 . C32 H321 . 122.6 no
C27 . C32 H321 . 117.9 no
O1 . C33 Rh1 . 178.95(15) yes
H362 . C36 H361 . 121.1 no
H362 . C36 C35 . 109.4 no
H361 . C36 C35 . 103.7 no
H362 . C36 C37 . 108.3 no
H361 . C36 C37 . 102.3 no
C35 . C36 C37 . 111.8(5) yes
C36 . C35 H352 . 98.0 no
C36 . C35 H351 . 105.6 no
H352 . C35 H351 . 131.4 no
H352 . C35 C37 2_565 115.7 no
H351 . C35 C37 2_565 112.1 no
C36 . C35 C34 . 111.4(8) yes
H352 . C35 C34 . 102.9 no
H351 . C35 C34 . 106.9 no
H343 . C34 C35 . 102.4 no
H383 2_565 C34 C35 . 101.3 no
H343 . C34 H342 . 116.1 no
C35 . C34 H342 . 125.9 no
H383 2_565 C34 H341 . 116.3 no
C35 . C34 H341 . 128.7 no
H342 . C34 H341 . 100.8 no
H342 . C34 C37 2_565 114.5 no
H341 . C34 C37 2_565 112.1 no
H342 . C34 C38 2_565 122.4 no
H341 . C34 C38 2_565 123.3 no
H343 2_565 C38 H381 . 116.9 no
H383 . C38 H382 . 116.8 no
H381 . C38 H382 . 101.7 no
H343 2_565 C38 C35 2_565 128.5 no
H383 . C38 C35 2_565 126.7 no
H381 . C38 C35 2_565 112.0 no
H382 . C38 C35 2_565 115.0 no
H381 . C38 C34 2_565 122.1 no
H382 . C38 C34 2_565 123.5 no
H343 2_565 C38 C37 . 103.8 no
H383 . C38 C37 . 105.4 no
H381 . C38 C37 . 126.3 no
H382 . C38 C37 . 125.1 no
C36 . C37 C38 . 103.5(7) yes
C36 . C37 H372 . 103.5 no
C38 . C37 H372 . 107.2 no
C36 . C37 H371 . 109.3 no
C38 . C37 H371 . 107.5 no
H372 . C37 H371 . 123.9 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Rh1 P1 . 2.2861(4) yes
Rh1 P2 . 2.2777(4) yes
Rh1 N1 . 2.0643(12) yes
Rh1 C33 . 1.8180(16) yes
P1 C1 . 1.8353(17) yes
P1 C4 . 1.8403(15) yes
P1 C7 . 1.8118(15) yes
P2 C19 . 1.8107(14) yes
P2 C21 . 1.8145(15) yes
P2 C27 . 1.8243(15) yes
O1 C33 . 1.149(2) yes
N1 C12 . 1.3954(19) yes
N1 C14 . 1.395(2) yes
C1 C2 . 1.529(2) yes
C1 C3 . 1.526(3) yes
C1 H11 . 0.963 no
C2 H21 . 0.968 no
C2 H22 . 0.951 no
C2 H23 . 0.955 no
C3 H31 . 0.974 no
C3 H32 . 0.965 no
C3 H33 . 0.938 no
C4 C5 . 1.526(2) yes
C4 C6 . 1.520(3) yes
C4 H41 . 0.967 no
C5 H51 . 0.952 no
C5 H52 . 0.956 no
C5 H53 . 0.962 no
C6 H61 . 0.959 no
C6 H62 . 0.961 no
C6 H63 . 0.963 no
C7 C8 . 1.401(2) yes
C7 C12 . 1.408(2) yes
C8 C9 . 1.392(2) yes
C8 H81 . 0.952 no
C9 C10 . 1.385(3) yes
C9 C13 . 1.513(3) yes
C10 C11 . 1.388(3) yes
C10 H101 . 0.925 no
C11 C12 . 1.415(2) yes
C11 H111 . 0.916 no
C13 H132 . 0.946 no
C13 H133 . 0.939 no
C13 H131 . 0.938 no
C14 C15 . 1.409(2) yes
C14 C19 . 1.415(2) yes
C15 C16 . 1.382(3) yes
C15 H151 . 0.943 no
C16 C17 . 1.393(3) yes
C16 H161 . 0.936 no
C17 C18 . 1.395(2) yes
C17 C20 . 1.502(3) yes
C18 C19 . 1.392(2) yes
C18 H181 . 0.930 no
C20 H201 . 0.930 no
C20 H202 . 0.931 no
C20 H203 . 0.959 no
C21 C22 . 1.383(2) yes
C21 C26 . 1.376(2) yes
C22 C23 . 1.391(2) yes
C22 H221 . 0.929 no
C23 C24 . 1.359(3) yes
C23 H231 . 0.922 no
C24 C25 . 1.377(3) yes
C24 H241 . 0.938 no
C25 C26 . 1.386(3) yes
C25 H251 . 0.918 no
C26 H261 . 0.927 no
C27 C28 . 1.399(2) yes
C27 C32 . 1.387(2) yes
C28 C29 . 1.391(2) yes
C28 H281 . 0.946 no
C29 C30 . 1.370(3) yes
C29 H291 . 0.967 no
C30 C31 . 1.371(3) yes
C30 H301 . 0.960 no
C31 C32 . 1.410(3) yes
C31 H311 . 0.909 no
C32 H321 . 0.905 no
H352 C35 . 0.961 no
H362 C36 . 0.957 no
H342 C34 . 0.962 no
H361 C36 . 0.953 no
H381 C38 . 0.977 no
H341 C34 . 0.952 no
H351 C35 . 0.958 no
H343 C38 2_565 1.094 no
H343 C34 . 1.090 no
H372 C37 . 0.963 no
H383 C34 2_565 1.100 no
H383 C38 . 1.100 no
H382 C38 . 0.969 no
H371 C37 . 0.958 no
C36 C35 2_565 1.389(9) yes
C36 C37 2_565 1.155(11) yes
C36 C36 2_565 0.934(10) yes
C36 C35 . 1.490(8) yes
C36 C37 . 1.568(8) yes
C35 C38 2_565 1.122(8) yes
C35 C37 2_565 0.810(10) yes
C35 C34 . 1.454(10) yes
C34 C37 2_565 1.286(11) yes
C34 C38 2_565 1.100(9) yes
C38 C37 . 1.593(12) yes
