#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:38:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180230 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/16/7111600.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7111600
loop_
_publ_author_name
'DeAngelis, Andrew'
'Boruta, David T.'
'Lubin, Jean-Bernard'
'Plampin, III, James N.'
'Yap, Glenn P. A.'
'Fox, Joseph M.'
_publ_section_title
;
 The chiral crown conformation in paddlewheel complexes
;
_journal_issue                   25
_journal_name_full               'Chemical Communications'
_journal_page_first              4541
_journal_page_last               4543
_journal_paper_doi               10.1039/c001557a
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C85 H84 N6 O16 Rh2'
_chemical_formula_weight         1651.40
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.412(3)
_cell_length_b                   21.783(5)
_cell_length_c                   27.323(6)
_cell_measurement_reflns_used    1024
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      28.19
_cell_measurement_theta_min      2.42
_cell_volume                     7983(3)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2001)'
_computing_publication_material  'SHELXTL (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean 836.6
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker AXS APEX diffractometer'
_diffrn_measurement_method       ω
_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  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            94308
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.483
_exptl_absorpt_correction_T_max  0.9206
_exptl_absorpt_correction_T_min  0.8986
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2003)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3416
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.917
_refine_diff_density_min         -0.348
_refine_diff_density_rms         0.070
_refine_ls_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881; 9019 Friedel pairs measured'
_refine_ls_abs_structure_Flack   -0.043(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     997
_refine_ls_number_reflns         19746
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0297
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0455P)²+1.8574P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0748
_refine_ls_wR_factor_ref         0.0772
_reflns_number_gt                18922
_reflns_number_total             19746
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C001557Asup1.cif
_cod_data_source_block           joef086
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        7982(3)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               7111600
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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
Rh1 Rh 0.660739(12) 0.040182(7) 0.024841(5) 0.01842(4) Uani 1 1 d .
Rh2 Rh 0.655716(12) -0.015420(7) 0.100417(5) 0.01840(4) Uani 1 1 d .
N1 N 0.44468(14) 0.18228(8) 0.09628(7) 0.0254(4) Uani 1 1 d .
N2 N 0.36791(13) -0.05466(8) -0.02575(7) 0.0272(4) Uani 1 1 d .
N3 N 0.75296(14) -0.14986(8) -0.05314(7) 0.0250(4) Uani 1 1 d .
N4 N 0.92442(14) 0.15229(9) 0.09928(7) 0.0279(4) Uani 1 1 d .
N5 N 0.67586(14) 0.08262(8) -0.04903(6) 0.0259(4) Uani 1 1 d .
N6 N 0.84003(16) 0.06197(8) -0.32659(6) 0.0253(3) Uani 1 1 d .
O1 O 0.59629(11) 0.11223(7) 0.06112(5) 0.0222(3) Uani 1 1 d .
O2 O 0.58923(12) 0.05851(7) 0.13183(5) 0.0239(3) Uani 1 1 d .
O3 O 0.37189(13) 0.08910(8) 0.07659(7) 0.0324(4) Uani 1 1 d .
O4 O 0.48956(15) 0.28484(8) 0.09512(7) 0.0380(4) Uani 1 1 d .
O5 O 0.52319(11) 0.00839(7) 0.00902(5) 0.0237(3) Uani 1 1 d .
O6 O 0.51838(11) -0.04580(7) 0.07958(5) 0.0246(3) Uani 1 1 d .
O7 O 0.50400(14) -0.11979(9) -0.03564(7) 0.0401(4) Uani 1 1 d .
O8 O 0.24543(14) 0.01720(9) -0.04317(7) 0.0416(4) Uani 1 1 d .
O9 O 0.71988(11) -0.03660(7) -0.00648(5) 0.0241(3) Uani 1 1 d .
O10 O 0.71852(12) -0.08751(7) 0.06554(5) 0.0239(3) Uani 1 1 d .
O11 O 0.82212(14) -0.06970(8) -0.09875(6) 0.0391(4) Uani 1 1 d .
O12 O 0.66798(14) -0.24015(7) -0.03435(6) 0.0358(4) Uani 1 1 d .
O13 O 0.79771(11) 0.07243(7) 0.04509(5) 0.0238(3) Uani 1 1 d .
O14 O 0.79369(11) 0.01995(7) 0.11609(5) 0.0248(3) Uani 1 1 d .
O15 O 1.03791(15) 0.17371(10) 0.03783(8) 0.0486(5) Uani 1 1 d .
O16 O 0.79074(15) 0.16315(9) 0.15214(7) 0.0411(4) Uani 1 1 d .
C1 C 0.57326(15) 0.10502(9) 0.10563(8) 0.0219(4) Uani 1 1 d .
C2 C 0.52298(17) 0.16091(10) 0.12972(7) 0.0240(4) Uani 1 1 d .
H2A H 0.5746 0.1940 0.1299 0.029 Uiso 1 1 calc R
C3 C 0.48674(18) 0.15509(11) 0.18354(8) 0.0303(5) Uani 1 1 d .
C4 C 0.5776(2) 0.14196(14) 0.21618(9) 0.0385(6) Uani 1 1 d .
H4A H 0.5569 0.1415 0.2506 0.058 Uiso 1 1 calc R
H4B H 0.6279 0.1740 0.2113 0.058 Uiso 1 1 calc R
H4C H 0.6060 0.1020 0.2075 0.058 Uiso 1 1 calc R
C5 C 0.4066(2) 0.10574(13) 0.19004(9) 0.0390(6) Uani 1 1 d .
H5A H 0.3882 0.1029 0.2247 0.058 Uiso 1 1 calc R
H5B H 0.4327 0.0661 0.1789 0.058 Uiso 1 1 calc R
H5C H 0.3477 0.1166 0.1707 0.058 Uiso 1 1 calc R
C6 C 0.4433(2) 0.21746(13) 0.19913(10) 0.0432(6) Uani 1 1 d .
H6A H 0.4245 0.2158 0.2338 0.065 Uiso 1 1 calc R
H6B H 0.3844 0.2267 0.1793 0.065 Uiso 1 1 calc R
H6C H 0.4935 0.2496 0.1943 0.065 Uiso 1 1 calc R
C7 C 0.37792(17) 0.14428(11) 0.07085(8) 0.0272(4) Uani 1 1 d .
C8 C 0.32087(17) 0.18518(11) 0.03803(8) 0.0283(5) Uani 1 1 d .
C9 C 0.24679(18) 0.17140(13) 0.00470(9) 0.0339(5) Uani 1 1 d .
H9A H 0.2241 0.1306 -0.0003 0.041 Uiso 1 1 calc R
C10 C 0.20708(19) 0.22089(14) -0.02124(10) 0.0394(6) Uani 1 1 d .
H10A H 0.1558 0.2134 -0.0445 0.047 Uiso 1 1 calc R
C11 C 0.2395(2) 0.28020(14) -0.01434(10) 0.0422(6) Uani 1 1 d .
H11A H 0.2097 0.3125 -0.0325 0.051 Uiso 1 1 calc R
C12 C 0.3149(2) 0.29369(12) 0.01867(10) 0.0384(6) Uani 1 1 d .
H12A H 0.3383 0.3345 0.0231 0.046 Uiso 1 1 calc R
C13 C 0.35468(18) 0.24488(10) 0.04490(8) 0.0304(5) Uani 1 1 d .
C14 C 0.43734(18) 0.24358(10) 0.08075(8) 0.0287(4) Uani 1 1 d .
C15 C 0.48165(16) -0.02644(9) 0.03984(7) 0.0228(4) Uani 1 1 d .
C16 C 0.37282(15) -0.04257(10) 0.02729(8) 0.0257(4) Uani 1 1 d .
H16A H 0.3346 -0.0037 0.0323 0.031 Uiso 1 1 calc R
C17 C 0.31871(17) -0.09119(11) 0.05898(9) 0.0319(5) Uani 1 1 d .
C18 C 0.3122(2) -0.06757(15) 0.11158(10) 0.0428(6) Uani 1 1 d .
H18A H 0.2700 -0.0952 0.1309 0.064 Uiso 1 1 calc R
H18B H 0.2831 -0.0263 0.1116 0.064 Uiso 1 1 calc R
H18C H 0.3791 -0.0661 0.1259 0.064 Uiso 1 1 calc R
C19 C 0.2118(2) -0.09666(15) 0.03894(12) 0.0463(7) Uani 1 1 d .
H19A H 0.1736 -0.1250 0.0595 0.069 Uiso 1 1 calc R
H19B H 0.2140 -0.1122 0.0053 0.069 Uiso 1 1 calc R
H19C H 0.1800 -0.0562 0.0393 0.069 Uiso 1 1 calc R
C20 C 0.3687(2) -0.15436(12) 0.05644(12) 0.0433(7) Uani 1 1 d .
H20A H 0.3329 -0.1831 0.0777 0.065 Uiso 1 1 calc R
H20B H 0.4381 -0.1509 0.0674 0.065 Uiso 1 1 calc R
H20C H 0.3671 -0.1694 0.0227 0.065 Uiso 1 1 calc R
C21 C 0.43610(18) -0.08998(11) -0.05256(9) 0.0312(5) Uani 1 1 d .
C22 C 0.40683(19) -0.08270(12) -0.10496(9) 0.0344(5) Uani 1 1 d .
C23 C 0.4441(2) -0.11092(15) -0.14620(11) 0.0466(7) Uani 1 1 d .
H23A H 0.4978 -0.1393 -0.1445 0.056 Uiso 1 1 calc R
C24 C 0.3984(3) -0.09552(17) -0.19090(11) 0.0537(8) Uani 1 1 d .
H24A H 0.4220 -0.1138 -0.2203 0.064 Uiso 1 1 calc R
C25 C 0.3206(3) -0.05476(15) -0.19311(10) 0.0523(8) Uani 1 1 d .
H25A H 0.2917 -0.0455 -0.2240 0.063 Uiso 1 1 calc R
C26 C 0.2829(2) -0.02643(13) -0.15119(10) 0.0434(6) Uani 1 1 d .
H26A H 0.2292 0.0019 -0.1528 0.052 Uiso 1 1 calc R
C27 C 0.32778(18) -0.04185(11) -0.10715(9) 0.0331(5) Uani 1 1 d .
C28 C 0.30500(18) -0.02093(11) -0.05654(9) 0.0311(5) Uani 1 1 d .
C29 C 0.73571(15) -0.08290(10) 0.02000(8) 0.0226(4) Uani 1 1 d .
C30 C 0.78483(17) -0.13979(10) -0.00230(7) 0.0231(4) Uani 1 1 d .
H30A H 0.7577 -0.1754 0.0166 0.028 Uiso 1 1 calc R
C31 C 0.89989(18) -0.14094(11) 0.00677(9) 0.0294(5) Uani 1 1 d .
C32 C 0.9180(2) -0.15862(16) 0.06043(10) 0.0456(7) Uani 1 1 d .
H32A H 0.9892 -0.1549 0.0679 0.068 Uiso 1 1 calc R
H32B H 0.8966 -0.2011 0.0658 0.068 Uiso 1 1 calc R
H32C H 0.8798 -0.1312 0.0818 0.068 Uiso 1 1 calc R
C33 C 0.9489(2) -0.07824(14) -0.00235(13) 0.0488(7) Uani 1 1 d .
H33A H 1.0209 -0.0814 0.0033 0.073 Uiso 1 1 calc R
H33B H 0.9204 -0.0478 0.0200 0.073 Uiso 1 1 calc R
H33C H 0.9368 -0.0655 -0.0362 0.073 Uiso 1 1 calc R
C34 C 0.9468(2) -0.18981(15) -0.02525(12) 0.0520(8) Uani 1 1 d .
H34A H 1.0181 -0.1929 -0.0177 0.078 Uiso 1 1 calc R
H34B H 0.9383 -0.1787 -0.0598 0.078 Uiso 1 1 calc R
H34C H 0.9145 -0.2294 -0.0190 0.078 Uiso 1 1 calc R
C35 C 0.69526(18) -0.20260(11) -0.06368(9) 0.0285(5) Uani 1 1 d .
C36 C 0.67877(19) -0.20171(12) -0.11780(9) 0.0332(5) Uani 1 1 d .
C37 C 0.6289(2) -0.24298(14) -0.14769(11) 0.0445(7) Uani 1 1 d .
H37A H 0.5959 -0.2781 -0.1348 0.053 Uiso 1 1 calc R
C38 C 0.6297(3) -0.22999(16) -0.19792(12) 0.0533(8) Uani 1 1 d .
H38A H 0.5957 -0.2569 -0.2196 0.064 Uiso 1 1 calc R
C39 C 0.6782(2) -0.17953(16) -0.21686(10) 0.0498(8) Uani 1 1 d .
H39A H 0.6779 -0.1727 -0.2512 0.060 Uiso 1 1 calc R
C40 C 0.7277(2) -0.13846(14) -0.18624(9) 0.0408(6) Uani 1 1 d .
H40A H 0.7610 -0.1034 -0.1989 0.049 Uiso 1 1 calc R
C41 C 0.72624(19) -0.15086(12) -0.13665(8) 0.0310(5) Uani 1 1 d .
C42 C 0.77388(17) -0.11618(11) -0.09538(8) 0.0281(4) Uani 1 1 d .
C43 C 0.83285(16) 0.05640(9) 0.08611(7) 0.0226(4) Uani 1 1 d .
C44 C 0.93555(16) 0.08536(10) 0.09673(9) 0.0267(4) Uani 1 1 d .
H44A H 0.9757 0.0778 0.0665 0.032 Uiso 1 1 calc R
C45 C 0.99905(18) 0.05837(12) 0.13914(10) 0.0343(5) Uani 1 1 d .
C46 C 1.0140(2) -0.01035(13) 0.12938(12) 0.0441(6) Uani 1 1 d .
H46A H 1.0617 -0.0271 0.1531 0.066 Uiso 1 1 calc R
H46B H 1.0399 -0.0161 0.0962 0.066 Uiso 1 1 calc R
H46C H 0.9501 -0.0317 0.1327 0.066 Uiso 1 1 calc R
C47 C 0.9516(2) 0.06807(15) 0.18947(10) 0.0463(7) Uani 1 1 d .
H47A H 0.9489 0.1121 0.1968 0.069 Uiso 1 1 calc R
H47B H 0.9916 0.0472 0.2144 0.069 Uiso 1 1 calc R
H47C H 0.8839 0.0512 0.1895 0.069 Uiso 1 1 calc R
C48 C 1.1019(2) 0.08951(16) 0.13815(14) 0.0528(8) Uani 1 1 d .
H48A H 1.0943 0.1334 0.1450 0.079 Uiso 1 1 calc R
H48B H 1.1321 0.0840 0.1058 0.079 Uiso 1 1 calc R
H48C H 1.1449 0.0709 0.1631 0.079 Uiso 1 1 calc R
C49 C 0.98030(19) 0.19125(12) 0.06828(10) 0.0347(5) Uani 1 1 d .
C50 C 0.9490(2) 0.25479(12) 0.08075(10) 0.0361(5) Uani 1 1 d .
C51 C 0.9803(2) 0.31070(13) 0.06183(12) 0.0451(7) Uani 1 1 d .
H51A H 1.0316 0.3130 0.0379 0.054 Uiso 1 1 calc R
C52 C 0.9331(3) 0.36324(14) 0.07942(13) 0.0524(8) Uani 1 1 d .
H52A H 0.9532 0.4023 0.0676 0.063 Uiso 1 1 calc R
C53 C 0.8580(3) 0.35960(13) 0.11365(13) 0.0522(8) Uani 1 1 d .
H53A H 0.8267 0.3963 0.1245 0.063 Uiso 1 1 calc R
C54 C 0.8268(2) 0.30331(13) 0.13282(11) 0.0438(6) Uani 1 1 d .
H54A H 0.7755 0.3009 0.1567 0.053 Uiso 1 1 calc R
C55 C 0.87401(19) 0.25131(12) 0.11534(9) 0.0348(5) Uani 1 1 d .
C56 C 0.85444(18) 0.18538(11) 0.12622(9) 0.0307(5) Uani 1 1 d .
C57 C 0.70275(18) 0.08197(10) -0.08872(8) 0.0270(4) Uani 1 1 d .
C58 C 0.73329(19) 0.08005(11) -0.13943(8) 0.0292(5) Uani 1 1 d .
C59 C 0.6925(2) 0.03507(13) -0.16935(9) 0.0428(6) Uani 1 1 d .
H59A H 0.6459 0.0064 -0.1566 0.051 Uiso 1 1 calc R
C60 C 0.7206(2) 0.03244(13) -0.21805(9) 0.0444(7) Uani 1 1 d .
H60A H 0.6930 0.0021 -0.2390 0.053 Uiso 1 1 calc R
C61 C 0.78915(19) 0.07437(11) -0.23606(8) 0.0296(5) Uani 1 1 d .
C62 C 0.8305(2) 0.11928(11) -0.20615(8) 0.0321(5) Uani 1 1 d .
H62A H 0.8774 0.1478 -0.2189 0.039 Uiso 1 1 calc R
C63 C 0.8020(2) 0.12182(12) -0.15719(8) 0.0324(5) Uani 1 1 d .
H63A H 0.8296 0.1521 -0.1361 0.039 Uiso 1 1 calc R
C64 C 0.81915(18) 0.06922(11) -0.28671(8) 0.0289(5) Uani 1 1 d .
C65 C 0.4751(4) 0.18664(19) 0.34415(13) 0.0679(11) Uani 1 1 d .
H65A H 0.5228 0.1612 0.3284 0.082 Uiso 1 1 calc R
C66 C 0.3962(5) 0.1610(2) 0.36762(17) 0.0855(14) Uani 1 1 d .
H66A H 0.3893 0.1176 0.3685 0.103 Uiso 1 1 calc R
C67 C 0.3260(5) 0.1974(4) 0.3902(2) 0.115(2) Uani 1 1 d .
H67A H 0.2697 0.1793 0.4056 0.138 Uiso 1 1 calc R
C68 C 0.3376(6) 0.2582(5) 0.3903(3) 0.143(4) Uani 1 1 d .
H68A H 0.2905 0.2832 0.4070 0.171 Uiso 1 1 calc R
C69 C 0.4134(5) 0.2842(2) 0.3678(2) 0.096(2) Uani 1 1 d .
H69A H 0.4192 0.3276 0.3681 0.115 Uiso 1 1 calc R
C70 C 0.4860(4) 0.2495(2) 0.34318(14) 0.0754(13) Uani 1 1 d .
C71 C 0.5714(5) 0.2758(3) 0.31820(19) 0.124(3) Uani 1 1 d .
H71A H 0.5591 0.3195 0.3119 0.186 Uiso 1 1 calc R
H71B H 0.5819 0.2544 0.2871 0.186 Uiso 1 1 calc R
H71C H 0.6308 0.2714 0.3388 0.186 Uiso 1 1 calc R
C72 C 0.5021(2) 0.49036(15) 0.16141(14) 0.0546(8) Uani 1 1 d .
H72A H 0.4637 0.5222 0.1470 0.066 Uiso 1 1 calc R
C73 C 0.5254(3) 0.49310(17) 0.21027(15) 0.0626(9) Uani 1 1 d .
H73A H 0.5026 0.5269 0.2292 0.075 Uiso 1 1 calc R
C74 C 0.5807(3) 0.44840(19) 0.23214(14) 0.0641(10) Uani 1 1 d .
H74A H 0.5970 0.4511 0.2659 0.077 Uiso 1 1 calc R
C75 C 0.6129(3) 0.39898(16) 0.20449(13) 0.0542(8) Uani 1 1 d .
H75A H 0.6509 0.3673 0.2194 0.065 Uiso 1 1 calc R
C76 C 0.5901(2) 0.39558(13) 0.15533(12) 0.0441(6) Uani 1 1 d .
H76A H 0.6129 0.3616 0.1366 0.053 Uiso 1 1 calc R
C77 C 0.5341(2) 0.44131(12) 0.13289(12) 0.0424(6) Uani 1 1 d .
C78 C 0.5092(3) 0.43813(16) 0.07896(13) 0.0533(8) Uani 1 1 d .
H78A H 0.4448 0.4581 0.0731 0.080 Uiso 1 1 calc R
H78B H 0.5055 0.3951 0.0687 0.080 Uiso 1 1 calc R
H78C H 0.5612 0.4591 0.0601 0.080 Uiso 1 1 calc R
C79 C 1.0679(3) 0.30915(19) 0.20818(15) 0.0651(10) Uani 1 1 d .
H79A H 1.0396 0.3149 0.1767 0.078 Uiso 1 1 calc R
C80 C 1.1359(5) 0.2608(3) 0.2156(3) 0.113(2) Uani 1 1 d .
H80A H 1.1540 0.2334 0.1901 0.135 Uiso 1 1 calc R
C81 C 1.1776(4) 0.2551(3) 0.2658(3) 0.1007(18) Uani 1 1 d .
H81A H 1.2236 0.2236 0.2743 0.121 Uiso 1 1 calc R
C82 C 1.1462(4) 0.2973(3) 0.2987(2) 0.0942(16) Uani 1 1 d .
H82A H 1.1737 0.2951 0.3307 0.113 Uiso 1 1 calc R
C83 C 1.0801(5) 0.3418(3) 0.2902(2) 0.1011(18) Uani 1 1 d .
H83A H 1.0601 0.3689 0.3157 0.121 Uiso 1 1 calc R
C84 C 1.0422(4) 0.3475(2) 0.24476(16) 0.0781(13) Uani 1 1 d .
C85 C 0.9674(5) 0.3986(3) 0.2353(3) 0.119(2) Uani 1 1 d .
H85A H 0.9674 0.4089 0.2004 0.179 Uiso 1 1 calc R
H85B H 0.9859 0.4349 0.2544 0.179 Uiso 1 1 calc R
H85C H 0.9007 0.3848 0.2450 0.179 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'
Rh Rh -1.1178 0.9187 '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
O5 Rh1 O9 89.10(6) . .
O5 Rh1 O13 176.64(6) . .
O9 Rh1 O13 92.63(6) . .
O5 Rh1 O1 88.90(6) . .
O9 Rh1 O1 174.83(6) . .
O13 Rh1 O1 89.14(6) . .
O5 Rh1 N5 91.80(6) . .
O9 Rh1 N5 85.69(6) . .
O13 Rh1 N5 91.20(6) . .
O1 Rh1 N5 99.14(6) . .
O5 Rh1 Rh2 89.17(4) . .
O9 Rh1 Rh2 87.59(4) . .
O13 Rh1 Rh2 88.03(4) . .
O1 Rh1 Rh2 87.61(4) . .
N5 Rh1 Rh2 173.19(5) . .
O10 Rh2 O2 176.79(6) . .
O10 Rh2 O6 89.58(6) . .
O2 Rh2 O6 88.78(6) . .
O10 Rh2 O14 90.82(7) . .
O2 Rh2 O14 90.58(6) . .
O6 Rh2 O14 175.01(6) . .
O10 Rh2 N6 93.30(6) . 2_655
O2 Rh2 N6 89.65(6) . 2_655
O6 Rh2 N6 97.17(7) . 2_655
O14 Rh2 N6 87.77(7) . 2_655
O10 Rh2 Rh1 88.55(4) . .
O2 Rh2 Rh1 88.61(4) . .
O6 Rh2 Rh1 87.07(4) . .
O14 Rh2 Rh1 87.97(4) . .
N6 Rh2 Rh1 175.39(5) 2_655 .
C7 N1 C14 111.49(19) . .
C7 N1 C2 125.27(18) . .
C14 N1 C2 122.68(19) . .
C28 N2 C21 111.55(19) . .
C28 N2 C16 121.59(18) . .
C21 N2 C16 125.63(18) . .
C42 N3 C35 111.63(19) . .
C42 N3 C30 130.12(18) . .
C35 N3 C30 118.19(18) . .
C56 N4 C49 111.29(19) . .
C56 N4 C44 127.41(19) . .
C49 N4 C44 120.9(2) . .
C57 N5 Rh1 151.96(18) . .
C64 N6 Rh2 157.51(19) . 2_654
C1 O1 Rh1 118.26(13) . .
C1 O2 Rh2 118.20(13) . .
C15 O5 Rh1 117.83(13) . .
C15 O6 Rh2 118.91(14) . .
C29 O9 Rh1 118.77(13) . .
C29 O10 Rh2 118.46(14) . .
C43 O13 Rh1 118.69(13) . .
C43 O14 Rh2 118.61(13) . .
O2 C1 O1 127.25(19) . .
O2 C1 C2 117.89(18) . .
O1 C1 C2 114.84(18) . .
N1 C2 C1 107.35(16) . .
N1 C2 C3 113.03(18) . .
C1 C2 C3 118.50(18) . .
C5 C3 C4 111.0(2) . .
C5 C3 C6 108.8(2) . .
C4 C3 C6 107.7(2) . .
C5 C3 C2 112.76(19) . .
C4 C3 C2 108.44(19) . .
C6 C3 C2 107.97(19) . .
O3 C7 N1 124.2(2) . .
O3 C7 C8 129.8(2) . .
N1 C7 C8 105.97(19) . .
C9 C8 C13 121.8(2) . .
C9 C8 C7 129.9(2) . .
C13 C8 C7 108.3(2) . .
C8 C9 C10 116.2(2) . .
C11 C10 C9 122.3(3) . .
C10 C11 C12 121.3(2) . .
C11 C12 C13 117.0(3) . .
C12 C13 C8 121.4(2) . .
C12 C13 C14 130.1(2) . .
C8 C13 C14 108.41(19) . .
O4 C14 N1 124.7(2) . .
O4 C14 C13 129.6(2) . .
N1 C14 C13 105.71(19) . .
O5 C15 O6 126.9(2) . .
O5 C15 C16 114.00(18) . .
O6 C15 C16 118.97(19) . .
N2 C16 C15 107.57(17) . .
N2 C16 C17 113.99(18) . .
C15 C16 C17 118.40(18) . .
C18 C17 C20 111.7(2) . .
C18 C17 C19 107.9(2) . .
C20 C17 C19 108.8(2) . .
C18 C17 C16 108.8(2) . .
C20 C17 C16 112.6(2) . .
C19 C17 C16 106.9(2) . .
O7 C21 N2 125.9(2) . .
O7 C21 C22 128.4(2) . .
N2 C21 C22 105.7(2) . .
C23 C22 C27 121.9(2) . .
C23 C22 C21 129.9(2) . .
C27 C22 C21 108.1(2) . .
C22 C23 C24 116.4(3) . .
C25 C24 C23 121.6(3) . .
C24 C25 C26 121.7(3) . .
C27 C26 C25 116.6(3) . .
C22 C27 C26 121.7(2) . .
C22 C27 C28 108.3(2) . .
C26 C27 C28 130.0(2) . .
O8 C28 N2 125.3(2) . .
O8 C28 C27 128.8(2) . .
N2 C28 C27 105.9(2) . .
O9 C29 O10 126.6(2) . .
O9 C29 C30 119.50(18) . .
O10 C29 C30 113.87(18) . .
N3 C30 C29 111.84(17) . .
N3 C30 C31 115.76(18) . .
C29 C30 C31 112.01(19) . .
C34 C31 C32 108.0(2) . .
C34 C31 C33 110.7(2) . .
C32 C31 C33 108.1(2) . .
C34 C31 C30 109.3(2) . .
C32 C31 C30 108.2(2) . .
C33 C31 C30 112.5(2) . .
O12 C35 N3 125.7(2) . .
O12 C35 C36 128.5(2) . .
N3 C35 C36 105.8(2) . .
C41 C36 C37 121.6(2) . .
C41 C36 C35 108.2(2) . .
C37 C36 C35 130.2(3) . .
C36 C37 C38 116.2(3) . .
C39 C38 C37 122.2(3) . .
C38 C39 C40 120.8(3) . .
C41 C40 C39 117.2(3) . .
C36 C41 C40 122.0(2) . .
C36 C41 C42 108.7(2) . .
C40 C41 C42 129.2(2) . .
O11 C42 N3 127.8(2) . .
O11 C42 C41 126.5(2) . .
N3 C42 C41 105.73(19) . .
O14 C43 O13 126.6(2) . .
O14 C43 C44 120.61(18) . .
O13 C43 C44 112.74(18) . .
N4 C44 C43 108.93(17) . .
N4 C44 C45 113.35(19) . .
C43 C44 C45 118.36(19) . .
C47 C45 C46 110.2(2) . .
C47 C45 C48 109.2(2) . .
C46 C45 C48 108.0(2) . .
C47 C45 C44 113.0(2) . .
C46 C45 C44 108.1(2) . .
C48 C45 C44 108.2(2) . .
O15 C49 N4 124.5(2) . .
O15 C49 C50 129.7(2) . .
N4 C49 C50 105.8(2) . .
C55 C50 C51 121.5(3) . .
C55 C50 C49 108.2(2) . .
C51 C50 C49 130.2(3) . .
C50 C51 C52 117.1(3) . .
C53 C52 C51 121.3(3) . .
C52 C53 C54 121.6(3) . .
C55 C54 C53 116.9(3) . .
C50 C55 C54 121.6(3) . .
C50 C55 C56 108.5(2) . .
C54 C55 C56 129.8(3) . .
O16 C56 N4 125.3(2) . .
O16 C56 C55 128.8(2) . .
N4 C56 C55 105.9(2) . .
N5 C57 C58 177.9(3) . .
C63 C58 C59 121.3(2) . .
C63 C58 C57 120.4(2) . .
C59 C58 C57 118.2(2) . .
C60 C59 C58 119.2(2) . .
C59 C60 C61 119.6(2) . .
C60 C61 C62 121.3(2) . .
C60 C61 C64 118.2(2) . .
C62 C61 C64 120.4(2) . .
C61 C62 C63 118.9(2) . .
C58 C63 C62 119.6(2) . .
N6 C64 C61 176.0(3) . .
C66 C65 C70 120.0(4) . .
C65 C66 C67 120.6(5) . .
C68 C67 C66 119.5(7) . .
C69 C68 C67 121.0(6) . .
C68 C69 C70 121.9(5) . .
C65 C70 C69 116.9(5) . .
C65 C70 C71 119.1(5) . .
C69 C70 C71 124.0(6) . .
C73 C72 C77 120.5(3) . .
C74 C73 C72 121.3(3) . .
C73 C74 C75 119.1(3) . .
C76 C75 C74 120.3(3) . .
C75 C76 C77 120.7(3) . .
C72 C77 C76 118.1(3) . .
C72 C77 C78 120.9(3) . .
C76 C77 C78 121.1(3) . .
C84 C79 C80 121.5(5) . .
C79 C80 C81 116.1(6) . .
C82 C81 C80 116.0(6) . .
C83 C82 C81 125.9(6) . .
C82 C83 C84 118.4(7) . .
C79 C84 C83 122.1(6) . .
C79 C84 C85 119.7(5) . .
C83 C84 C85 118.2(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 O5 2.0173(15) .
Rh1 O9 2.0393(15) .
Rh1 O13 2.0431(15) .
Rh1 O1 2.0477(15) .
Rh1 N5 2.2292(18) .
Rh1 Rh2 2.3949(5) .
Rh2 O10 2.0208(15) .
Rh2 O2 2.0310(15) .
Rh2 O6 2.0383(15) .
Rh2 O14 2.0497(15) .
Rh2 N6 2.2380(17) 2_655
N1 C7 1.404(3) .
N1 C14 1.405(3) .
N1 C2 1.468(3) .
N2 C28 1.400(3) .
N2 C21 1.402(3) .
N2 C16 1.474(3) .
N3 C42 1.396(3) .
N3 C35 1.415(3) .
N3 C30 1.470(3) .
N4 C56 1.394(3) .
N4 C49 1.414(3) .
N4 C44 1.467(3) .
N5 C57 1.143(3) .
N6 C64 1.136(3) .
N6 Rh2 2.2380(17) 2_654
O1 C1 1.264(3) .
O2 C1 1.259(3) .
O3 C7 1.215(3) .
O4 C14 1.205(3) .
O5 C15 1.263(3) .
O6 C15 1.265(2) .
O7 C21 1.210(3) .
O8 C28 1.209(3) .
O9 C29 1.259(3) .
O10 C29 1.269(3) .
O11 C42 1.205(3) .
O12 C35 1.202(3) .
O13 C43 1.265(2) .
O14 C43 1.256(2) .
O15 C49 1.198(3) .
O16 C56 1.211(3) .
C1 C2 1.539(3) .
C2 C3 1.554(3) .
C3 C5 1.530(4) .
C3 C4 1.537(3) .
C3 C6 1.538(3) .
C7 C8 1.478(3) .
C8 C9 1.381(3) .
C8 C13 1.390(3) .
C9 C10 1.396(4) .
C10 C11 1.376(4) .
C11 C12 1.386(4) .
C12 C13 1.389(3) .
C13 C14 1.480(3) .
C15 C16 1.540(3) .
C16 C17 1.549(3) .
C17 C18 1.529(4) .
C17 C20 1.532(4) .
C17 C19 1.539(3) .
C21 C22 1.493(3) .
C22 C23 1.377(4) .
C22 C27 1.385(3) .
C23 C24 1.407(4) .
C24 C25 1.371(5) .
C25 C26 1.396(4) .
C26 C27 1.387(3) .
C27 C28 1.488(3) .
C29 C30 1.530(3) .
C30 C31 1.563(3) .
C31 C34 1.515(4) .
C31 C32 1.535(4) .
C31 C33 1.536(4) .
C35 C36 1.495(3) .
C36 C41 1.378(4) .
C36 C37 1.387(4) .
C37 C38 1.401(4) .
C38 C39 1.378(5) .
C39 C40 1.393(4) .
C40 C41 1.382(3) .
C41 C42 1.500(3) .
C43 C44 1.543(3) .
C44 C45 1.554(3) .
C45 C47 1.530(4) .
C45 C46 1.534(4) .
C45 C48 1.538(4) .
C49 C50 1.486(4) .
C50 C55 1.382(4) .
C50 C51 1.388(4) .
C51 C52 1.393(5) .
C52 C53 1.377(5) .
C53 C54 1.398(4) .
C54 C55 1.383(4) .
C55 C56 1.490(3) .
C57 C58 1.446(3) .
C58 C63 1.383(3) .
C58 C59 1.388(4) .
C59 C60 1.384(3) .
C60 C61 1.386(4) .
C61 C62 1.390(3) .
C61 C64 1.446(3) .
C62 C63 1.392(3) .
C65 C66 1.358(7) .
C65 C70 1.377(6) .
C66 C67 1.375(8) .
C67 C68 1.335(10) .
C68 C69 1.317(10) .
C69 C70 1.403(8) .
C70 C71 1.452(7) .
C72 C73 1.373(5) .
C72 C77 1.390(4) .
C73 C74 1.362(6) .
C74 C75 1.384(5) .
C75 C76 1.380(5) .
C76 C77 1.390(4) .
C77 C78 1.512(4) .
C79 C84 1.347(6) .
C79 C80 1.408(8) .
C80 C81 1.486(9) .
C81 C82 1.354(8) .
C82 C83 1.334(8) .
C83 C84 1.348(7) .
C84 C85 1.521(8) .
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_site_symmetry_1
_geom_torsion_site_symmetry_4
O5 Rh1 Rh2 O10 90.75(6) . .
O9 Rh1 Rh2 O10 1.61(6) . .
O13 Rh1 Rh2 O10 -91.10(6) . .
O1 Rh1 Rh2 O10 179.68(6) . .
N5 Rh1 Rh2 O10 -7.5(4) . .
O5 Rh1 Rh2 O2 -87.76(6) . .
O9 Rh1 Rh2 O2 -176.89(6) . .
O13 Rh1 Rh2 O2 90.39(6) . .
O1 Rh1 Rh2 O2 1.17(6) . .
N5 Rh1 Rh2 O2 174.0(4) . .
O5 Rh1 Rh2 O6 1.09(6) . .
O9 Rh1 Rh2 O6 -88.04(6) . .
O13 Rh1 Rh2 O6 179.24(6) . .
O1 Rh1 Rh2 O6 90.02(6) . .
N5 Rh1 Rh2 O6 -97.2(4) . .
O5 Rh1 Rh2 O14 -178.38(6) . .
O9 Rh1 Rh2 O14 92.48(6) . .
O13 Rh1 Rh2 O14 -0.23(6) . .
O1 Rh1 Rh2 O14 -89.45(6) . .
N5 Rh1 Rh2 O14 83.4(4) . .
O5 Rh1 Rh2 N6 -155.6(6) . 2_655
O9 Rh1 Rh2 N6 115.3(6) . 2_655
O13 Rh1 Rh2 N6 22.5(6) . 2_655
O1 Rh1 Rh2 N6 -66.7(6) . 2_655
N5 Rh1 Rh2 N6 106.1(8) . 2_655
O5 Rh1 N5 C57 -96.5(4) . .
O9 Rh1 N5 C57 -7.5(4) . .
O13 Rh1 N5 C57 85.0(4) . .
O1 Rh1 N5 C57 174.3(4) . .
Rh2 Rh1 N5 C57 1.6(7) . .
O5 Rh1 O1 C1 86.69(15) . .
O9 Rh1 O1 C1 19.5(8) . .
O13 Rh1 O1 C1 -90.58(15) . .
N5 Rh1 O1 C1 178.35(15) . .
Rh2 Rh1 O1 C1 -2.52(14) . .
O10 Rh2 O2 C1 -27.9(12) . .
O6 Rh2 O2 C1 -87.32(15) . .
O14 Rh2 O2 C1 87.73(15) . .
N6 Rh2 O2 C1 175.50(16) 2_655 .
Rh1 Rh2 O2 C1 -0.23(15) . .
O9 Rh1 O5 C15 87.79(15) . .
O13 Rh1 O5 C15 -33.2(11) . .
O1 Rh1 O5 C15 -87.44(15) . .
N5 Rh1 O5 C15 173.45(15) . .
Rh2 Rh1 O5 C15 0.19(14) . .
O10 Rh2 O6 C15 -91.31(15) . .
O2 Rh2 O6 C15 85.92(15) . .
O14 Rh2 O6 C15 3.3(8) . .
N6 Rh2 O6 C15 175.42(15) 2_655 .
Rh1 Rh2 O6 C15 -2.75(15) . .
O5 Rh1 O9 C29 -90.64(16) . .
O13 Rh1 O9 C29 86.47(16) . .
O1 Rh1 O9 C29 -23.4(8) . .
N5 Rh1 O9 C29 177.48(16) . .
Rh2 Rh1 O9 C29 -1.44(15) . .
O2 Rh2 O10 C29 25.4(12) . .
O6 Rh2 O10 C29 84.74(16) . .
O14 Rh2 O10 C29 -90.29(16) . .
N6 Rh2 O10 C29 -178.10(16) 2_655 .
Rh1 Rh2 O10 C29 -2.33(15) . .
O5 Rh1 O13 C43 32.4(11) . .
O9 Rh1 O13 C43 -88.59(15) . .
O1 Rh1 O13 C43 86.55(15) . .
N5 Rh1 O13 C43 -174.32(15) . .
Rh2 Rh1 O13 C43 -1.09(15) . .
O10 Rh2 O14 C43 90.17(15) . .
O2 Rh2 O14 C43 -86.93(15) . .
O6 Rh2 O14 C43 -4.4(8) . .
N6 Rh2 O14 C43 -176.56(16) 2_655 .
Rh1 Rh2 O14 C43 1.65(15) . .
Rh2 O2 C1 O1 -1.9(3) . .
Rh2 O2 C1 C2 -179.92(14) . .
Rh1 O1 C1 O2 3.3(3) . .
Rh1 O1 C1 C2 -178.62(13) . .
C7 N1 C2 C1 42.9(3) . .
C14 N1 C2 C1 -127.8(2) . .
C7 N1 C2 C3 -89.6(2) . .
C14 N1 C2 C3 99.7(2) . .
O2 C1 C2 N1 -134.52(19) . .
O1 C1 C2 N1 47.2(2) . .
O2 C1 C2 C3 -5.0(3) . .
O1 C1 C2 C3 176.69(19) . .
N1 C2 C3 C5 65.0(3) . .
C1 C2 C3 C5 -61.8(3) . .
N1 C2 C3 C4 -171.6(2) . .
C1 C2 C3 C4 61.5(3) . .
N1 C2 C3 C6 -55.2(3) . .
C1 C2 C3 C6 177.9(2) . .
C14 N1 C7 O3 177.8(2) . .
C2 N1 C7 O3 6.2(4) . .
C14 N1 C7 C8 -2.5(2) . .
C2 N1 C7 C8 -174.03(19) . .
O3 C7 C8 C9 -1.1(4) . .
N1 C7 C8 C9 179.1(2) . .
O3 C7 C8 C13 179.7(2) . .
N1 C7 C8 C13 -0.1(2) . .
C13 C8 C9 C10 -0.7(4) . .
C7 C8 C9 C10 -179.8(2) . .
C8 C9 C10 C11 0.1(4) . .
C9 C10 C11 C12 0.8(4) . .
C10 C11 C12 C13 -1.1(4) . .
C11 C12 C13 C8 0.5(4) . .
C11 C12 C13 C14 177.1(2) . .
C9 C8 C13 C12 0.4(4) . .
C7 C8 C13 C12 179.7(2) . .
C9 C8 C13 C14 -176.9(2) . .
C7 C8 C13 C14 2.4(3) . .
C7 N1 C14 O4 -176.4(2) . .
C2 N1 C14 O4 -4.6(3) . .
C7 N1 C14 C13 3.9(2) . .
C2 N1 C14 C13 175.70(18) . .
C12 C13 C14 O4 -0.5(4) . .
C8 C13 C14 O4 176.5(2) . .
C12 C13 C14 N1 179.2(2) . .
C8 C13 C14 N1 -3.8(2) . .
Rh1 O5 C15 O6 -2.6(3) . .
Rh1 O5 C15 C16 173.63(13) . .
Rh2 O6 C15 O5 4.0(3) . .
Rh2 O6 C15 C16 -172.12(14) . .
C28 N2 C16 C15 -121.7(2) . .
C21 N2 C16 C15 44.5(3) . .
C28 N2 C16 C17 104.9(2) . .
C21 N2 C16 C17 -88.9(3) . .
O5 C15 C16 N2 41.6(2) . .
O6 C15 C16 N2 -141.81(19) . .
O5 C15 C16 C17 172.63(19) . .
O6 C15 C16 C17 -10.8(3) . .
N2 C16 C17 C18 -169.5(2) . .
C15 C16 C17 C18 62.5(3) . .
N2 C16 C17 C20 66.1(3) . .
C15 C16 C17 C20 -61.9(3) . .
N2 C16 C17 C19 -53.2(3) . .
C15 C16 C17 C19 178.7(2) . .
C28 N2 C21 O7 173.9(2) . .
C16 N2 C21 O7 6.5(4) . .
C28 N2 C21 C22 -6.1(3) . .
C16 N2 C21 C22 -173.5(2) . .
O7 C21 C22 C23 5.3(5) . .
N2 C21 C22 C23 -174.7(3) . .
O7 C21 C22 C27 -177.0(3) . .
N2 C21 C22 C27 3.0(3) . .
C27 C22 C23 C24 0.7(4) . .
C21 C22 C23 C24 178.2(3) . .
C22 C23 C24 C25 -0.2(5) . .
C23 C24 C25 C26 0.0(5) . .
C24 C25 C26 C27 -0.3(5) . .
C23 C22 C27 C26 -1.0(4) . .
C21 C22 C27 C26 -179.0(2) . .
C23 C22 C27 C28 178.9(3) . .
C21 C22 C27 C28 0.9(3) . .
C25 C26 C27 C22 0.8(4) . .
C25 C26 C27 C28 -179.1(3) . .
C21 N2 C28 O8 -173.2(2) . .
C16 N2 C28 O8 -5.2(4) . .
C21 N2 C28 C27 6.6(3) . .
C16 N2 C28 C27 174.64(19) . .
C22 C27 C28 O8 175.3(3) . .
C26 C27 C28 O8 -4.8(5) . .
C22 C27 C28 N2 -4.5(3) . .
C26 C27 C28 N2 175.4(3) . .
Rh1 O9 C29 O10 0.0(3) . .
Rh1 O9 C29 C30 -176.97(14) . .
Rh2 O10 C29 O9 2.0(3) . .
Rh2 O10 C29 C30 179.06(13) . .
C42 N3 C30 C29 69.4(3) . .
C35 N3 C30 C29 -113.6(2) . .
C42 N3 C30 C31 -60.5(3) . .
C35 N3 C30 C31 116.5(2) . .
O9 C29 C30 N3 -35.7(3) . .
O10 C29 C30 N3 146.92(18) . .
O9 C29 C30 C31 96.1(2) . .
O10 C29 C30 C31 -81.2(2) . .
N3 C30 C31 C34 -37.7(3) . .
C29 C30 C31 C34 -167.5(2) . .
N3 C30 C31 C32 -155.0(2) . .
C29 C30 C31 C32 75.1(3) . .
N3 C30 C31 C33 85.7(3) . .
C29 C30 C31 C33 -44.1(3) . .
C42 N3 C35 O12 178.8(2) . .
C30 N3 C35 O12 1.3(3) . .
C42 N3 C35 C36 0.1(3) . .
C30 N3 C35 C36 -177.44(19) . .
O12 C35 C36 C41 -178.1(3) . .
N3 C35 C36 C41 0.6(3) . .
O12 C35 C36 C37 0.0(5) . .
N3 C35 C36 C37 178.7(3) . .
C41 C36 C37 C38 0.1(4) . .
C35 C36 C37 C38 -177.8(3) . .
C36 C37 C38 C39 0.7(5) . .
C37 C38 C39 C40 -1.0(5) . .
C38 C39 C40 C41 0.4(4) . .
C37 C36 C41 C40 -0.7(4) . .
C35 C36 C41 C40 177.6(2) . .
C37 C36 C41 C42 -179.3(2) . .
C35 C36 C41 C42 -1.0(3) . .
C39 C40 C41 C36 0.5(4) . .
C39 C40 C41 C42 178.7(3) . .
C35 N3 C42 O11 -179.0(2) . .
C30 N3 C42 O11 -1.8(4) . .
C35 N3 C42 C41 -0.7(2) . .
C30 N3 C42 C41 176.5(2) . .
C36 C41 C42 O11 179.4(2) . .
C40 C41 C42 O11 0.9(4) . .
C36 C41 C42 N3 1.0(3) . .
C40 C41 C42 N3 -177.4(3) . .
Rh2 O14 C43 O13 -3.2(3) . .
Rh2 O14 C43 C44 178.68(14) . .
Rh1 O13 C43 O14 2.9(3) . .
Rh1 O13 C43 C44 -178.83(13) . .
C56 N4 C44 C43 49.5(3) . .
C49 N4 C44 C43 -122.8(2) . .
C56 N4 C44 C45 -84.5(3) . .
C49 N4 C44 C45 103.2(3) . .
O14 C43 C44 N4 -118.6(2) . .
O13 C43 C44 N4 63.0(2) . .
O14 C43 C44 C45 12.8(3) . .
O13 C43 C44 C45 -165.56(19) . .
N4 C44 C45 C47 63.5(3) . .
C43 C44 C45 C47 -65.9(3) . .
N4 C44 C45 C46 -174.2(2) . .
C43 C44 C45 C46 56.4(3) . .
N4 C44 C45 C48 -57.4(3) . .
C43 C44 C45 C48 173.2(2) . .
C56 N4 C49 O15 -172.1(3) . .
C44 N4 C49 O15 1.4(4) . .
C56 N4 C49 C50 6.0(3) . .
C44 N4 C49 C50 179.4(2) . .
O15 C49 C50 C55 174.4(3) . .
N4 C49 C50 C55 -3.4(3) . .
O15 C49 C50 C51 -2.6(5) . .
N4 C49 C50 C51 179.6(3) . .
C55 C50 C51 C52 0.3(4) . .
C49 C50 C51 C52 176.9(3) . .
C50 C51 C52 C53 -0.7(5) . .
C51 C52 C53 C54 1.0(5) . .
C52 C53 C54 C55 -0.8(5) . .
C51 C50 C55 C54 -0.1(4) . .
C49 C50 C55 C54 -177.4(2) . .
C51 C50 C55 C56 177.2(2) . .
C49 C50 C55 C56 -0.1(3) . .
C53 C54 C55 C50 0.3(4) . .
C53 C54 C55 C56 -176.3(3) . .
C49 N4 C56 O16 172.8(3) . .
C44 N4 C56 O16 -0.1(4) . .
C49 N4 C56 C55 -6.0(3) . .
C44 N4 C56 C55 -179.0(2) . .
C50 C55 C56 O16 -175.1(3) . .
C54 C55 C56 O16 1.9(5) . .
C50 C55 C56 N4 3.7(3) . .
C54 C55 C56 N4 -179.3(3) . .
Rh1 N5 C57 C58 89(7) . .
N5 C57 C58 C63 155(7) . .
N5 C57 C58 C59 -26(7) . .
C63 C58 C59 C60 -0.6(4) . .
C57 C58 C59 C60 179.9(3) . .
C58 C59 C60 C61 0.4(5) . .
C59 C60 C61 C62 0.0(5) . .
C59 C60 C61 C64 178.2(3) . .
C60 C61 C62 C63 0.0(4) . .
C64 C61 C62 C63 -178.2(2) . .
C59 C58 C63 C62 0.6(4) . .
C57 C58 C63 C62 -180.0(2) . .
C61 C62 C63 C58 -0.3(4) . .
Rh2 N6 C64 C61 4(4) 2_654 .
C60 C61 C64 N6 -11(4) . .
C62 C61 C64 N6 167(4) . .
C70 C65 C66 C67 0.6(7) . .
C65 C66 C67 C68 -2.2(8) . .
C66 C67 C68 C69 2.3(9) . .
C67 C68 C69 C70 -0.8(9) . .
C66 C65 C70 C69 0.8(6) . .
C66 C65 C70 C71 179.5(4) . .
C68 C69 C70 C65 -0.7(7) . .
C68 C69 C70 C71 -179.3(5) . .
C77 C72 C73 C74 0.4(6) . .
C72 C73 C74 C75 -0.7(6) . .
C73 C74 C75 C76 0.7(5) . .
C74 C75 C76 C77 -0.4(5) . .
C73 C72 C77 C76 -0.1(5) . .
C73 C72 C77 C78 -179.6(3) . .
C75 C76 C77 C72 0.1(4) . .
C75 C76 C77 C78 179.7(3) . .
C84 C79 C80 C81 -0.4(6) . .
C79 C80 C81 C82 -0.5(7) . .
C80 C81 C82 C83 1.8(8) . .
C81 C82 C83 C84 -2.2(9) . .
C80 C79 C84 C83 0.2(7) . .
C80 C79 C84 C85 -179.1(5) . .
C82 C83 C84 C79 1.1(8) . .
C82 C83 C84 C85 -179.6(5) . .
