#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/56/7005676.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_7005676
loop_
_publ_author_name
'Chan, Yun Fu'
'Chippindale, Ann M.'
'Colquhoun, Howard M.'
'Drew, Michael G. B.'
'Williams, David J.'
_publ_section_title
;
 Extended-chain, multinuclear transition metal complexes bridged by
 cyanodiazenido(1-), [N=N-C[triple bond, length as m-dash]N]-, ligands.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3538
_journal_page_last               3545
_journal_paper_doi               10.1039/b704367h
_journal_year                    2007
_chemical_formula_moiety
'C114 H108 N6 O8 P8 Br2 Rh2 W2 . 2.7(C H2 Cl2)'
_chemical_formula_sum            'C116.7 H113.4 Br2 Cl5.4 N6 O8 P8 Rh2 W2'
_chemical_formula_weight         2900.46
_chemical_name_systematic
;

?

;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.467(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   27.888(4)
_cell_length_b                   13.2256(11)
_cell_length_c                   17.4034(12)
_cell_measurement_reflns_used    29
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.27
_cell_measurement_theta_min      11.21
_cell_volume                     6123.0(11)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.878
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1036
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8737
_diffrn_reflns_theta_full        60.01
_diffrn_reflns_theta_max         60.01
_diffrn_reflns_theta_min         3.32
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.805
_exptl_absorpt_correction_T_max  0.80952
_exptl_absorpt_correction_T_min  0.24794
_exptl_absorpt_correction_type   'Lamina (0 0 1)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platy_Rhombs
_exptl_crystal_F_000             2879
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.780
_refine_diff_density_min         -3.363
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       0.00017(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     660
_refine_ls_number_reflns         8405
_refine_ls_number_restraints     126
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0889
_refine_ls_R_factor_gt           0.0684
_refine_ls_shift/su_max          0.053
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0840P)²+24.1000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1694
_refine_ls_wR_factor_ref         0.1796
_reflns_number_gt                6415
_reflns_number_total             8405
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b704367h.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0840P)^2^+24.1000P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0840P)^2^+24.1000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6122.9(10)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C116.70 H113.40 Br2 Cl5.40 N6 O8 P8 Rh2 W2'
_cod_database_code               7005676
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W W 0.218575(15) 0.49615(3) 0.13878(3) 0.03669(18) Uani 1 d . . .
Rh Rh 0.45813(3) 0.50985(7) 0.45566(5) 0.0524(2) Uani 1 d . . .
Br Br 0.13860(4) 0.43600(9) 0.02457(7) 0.0533(3) Uani 1 d . . .
P1 P 0.26445(9) 0.38414(18) 0.06894(15) 0.0405(5) Uani 1 d . . .
P2 P 0.22480(10) 0.60515(19) 0.02424(16) 0.0457(6) Uani 1 d . . .
P3 P 0.16722(9) 0.60538(19) 0.19980(16) 0.0409(5) Uani 1 d . . .
P4 P 0.20518(10) 0.38235(19) 0.24455(17) 0.0445(6) Uani 1 d . . .
O1 O 0.4327(3) 0.4532(7) 0.5459(6) 0.070(2) Uani 1 d . . .
O2 O 0.4623(3) 0.3667(7) 0.4158(6) 0.069(2) Uani 1 d . . .
O3 O 0.5110(3) 0.4364(8) 0.6282(6) 0.074(3) Uani 1 d . . .
O4 O 0.5411(3) 0.3483(6) 0.4985(6) 0.068(2) Uani 1 d . . .
N1 N 0.2703(3) 0.5421(6) 0.2152(5) 0.0425(18) Uani 1 d . . .
C1 C 0.3453(4) 0.5519(8) 0.3215(8) 0.054(3) Uani 1 d . . .
N3 N 0.3812(3) 0.5307(8) 0.3694(7) 0.066(3) Uani 1 d . . .
N2 N 0.3036(4) 0.5931(7) 0.2724(7) 0.064(3) Uani 1 d . . .
C2 C 0.3314(2) 0.4086(6) 0.1023(4) 0.047(2) Uani 1 d G . .
C3 C 0.3574(3) 0.4422(8) 0.0505(4) 0.070(3) Uani 1 d G . .
H3A H 0.3407 0.4504 -0.0040 0.083 Uiso 1 calc R . .
C4 C 0.4085(3) 0.4633(9) 0.0802(6) 0.117(7) Uani 1 d G . .
H4A H 0.4259 0.4858 0.0455 0.141 Uiso 1 calc R . .
C5 C 0.4335(2) 0.4510(9) 0.1617(6) 0.115(7) Uani 1 d G . .
H5A H 0.4677 0.4651 0.1815 0.138 Uiso 1 calc R . .
C6 C 0.4075(3) 0.4174(8) 0.2135(4) 0.084(5) Uani 1 d G . .
H6A H 0.4242 0.4091 0.2681 0.101 Uiso 1 calc R . .
C7 C 0.3564(3) 0.3962(7) 0.1838(4) 0.067(3) Uani 1 d G . .
H7A H 0.3390 0.3737 0.2185 0.081 Uiso 1 calc R . .
C8 C 0.2608(3) 0.2456(4) 0.0638(6) 0.053(3) Uani 1 d G . .
C9 C 0.2142(2) 0.2000(5) 0.0516(6) 0.064(3) Uani 1 d G . .
H9A H 0.1858 0.2395 0.0468 0.076 Uiso 1 calc R . .
C10 C 0.2099(3) 0.0953(5) 0.0467(6) 0.076(4) Uani 1 d G . .
H10A H 0.1788 0.0648 0.0386 0.091 Uiso 1 calc R . .
C11 C 0.2523(4) 0.0363(4) 0.0540(6) 0.086(5) Uani 1 d G . .
H11A H 0.2495 -0.0338 0.0507 0.103 Uiso 1 calc R . .
C12 C 0.2989(3) 0.0819(5) 0.0661(7) 0.085(5) Uani 1 d G . .
H12A H 0.3272 0.0424 0.0710 0.103 Uiso 1 calc R . .
C13 C 0.3031(2) 0.1866(5) 0.0711(6) 0.071(4) Uani 1 d G . .
H13A H 0.3343 0.2171 0.0792 0.085 Uiso 1 calc R . .
C14 C 0.2433(4) 0.4146(8) -0.0365(7) 0.052(3) Uani 1 d . . .
H14A H 0.2668 0.3858 -0.0616 0.062 Uiso 1 calc R . .
H14B H 0.2111 0.3819 -0.0602 0.062 Uiso 1 calc R . .
C15 C 0.2375(6) 0.5268(9) -0.0571(8) 0.072(4) Uani 1 d . . .
H15A H 0.2101 0.5356 -0.1064 0.087 Uiso 1 calc R . .
H15B H 0.2680 0.5510 -0.0668 0.087 Uiso 1 calc R . .
C16 C 0.2756(3) 0.6973(6) 0.0385(5) 0.055(3) Uani 1 d G . .
C17 C 0.2750(3) 0.7626(8) -0.0244(5) 0.090(5) Uani 1 d G . .
H17A H 0.2478 0.7624 -0.0711 0.108 Uiso 1 calc R . .
C18 C 0.3151(4) 0.8280(7) -0.0176(7) 0.117(8) Uani 1 d G . .
H18A H 0.3147 0.8717 -0.0597 0.140 Uiso 1 calc R . .
C19 C 0.3558(4) 0.8282(7) 0.0521(8) 0.103(7) Uani 1 d G . .
H19A H 0.3826 0.8720 0.0567 0.124 Uiso 1 calc R . .
C20 C 0.3564(3) 0.7630(9) 0.1150(7) 0.132(8) Uani 1 d G . .
H20A H 0.3836 0.7631 0.1617 0.159 Uiso 1 calc R . .
C21 C 0.3163(4) 0.6975(8) 0.1082(5) 0.092(5) Uani 1 d G . .
H21A H 0.3167 0.6539 0.1503 0.111 Uiso 1 calc R . .
C22 C 0.1698(2) 0.6823(5) -0.0269(4) 0.052(3) Uani 1 d G . .
C23 C 0.1648(3) 0.7759(5) 0.0062(4) 0.055(3) Uani 1 d G . .
H23A H 0.1899 0.7995 0.0507 0.066 Uiso 1 calc R . .
C24 C 0.1221(3) 0.8341(5) -0.0272(6) 0.074(4) Uani 1 d G . .
H24A H 0.1187 0.8967 -0.0050 0.088 Uiso 1 calc R . .
C25 C 0.0844(3) 0.7987(7) -0.0937(6) 0.086(5) Uani 1 d G . .
H25A H 0.0559 0.8376 -0.1161 0.103 Uiso 1 calc R . .
C26 C 0.0895(3) 0.7051(8) -0.1268(5) 0.094(5) Uani 1 d G . .
H26A H 0.0643 0.6814 -0.1714 0.113 Uiso 1 calc R . .
C27 C 0.1322(3) 0.6469(5) -0.0934(5) 0.072(4) Uani 1 d G . .
H27A H 0.1355 0.5843 -0.1156 0.087 Uiso 1 calc R . .
C28 C 0.1746(3) 0.7434(4) 0.2058(5) 0.052(3) Uani 1 d G . .
C29 C 0.1340(2) 0.8086(6) 0.1942(6) 0.071(4) Uani 1 d G . .
H29A H 0.1016 0.7826 0.1834 0.085 Uiso 1 calc R . .
C30 C 0.1416(3) 0.9125(5) 0.1987(7) 0.092(5) Uani 1 d G . .
H30A H 0.1144 0.9562 0.1909 0.110 Uiso 1 calc R . .
C31 C 0.1900(4) 0.9513(4) 0.2147(6) 0.082(4) Uani 1 d G . .
H31A H 0.1951 1.0209 0.2177 0.098 Uiso 1 calc R . .
C32 C 0.2306(3) 0.8861(6) 0.2264(7) 0.085(4) Uani 1 d G . .
H32A H 0.2630 0.9121 0.2371 0.102 Uiso 1 calc R . .
C33 C 0.2230(2) 0.7822(5) 0.2219(6) 0.066(3) Uani 1 d G . .
H33A H 0.2502 0.7386 0.2297 0.079 Uiso 1 calc R . .
C34 C 0.0998(2) 0.5886(6) 0.1684(4) 0.050(3) Uani 1 d G . .
C35 C 0.0752(3) 0.5459(7) 0.2190(5) 0.081(4) Uani 1 d G . .
H35A H 0.0932 0.5283 0.2715 0.097 Uiso 1 calc R . .
C36 C 0.0236(3) 0.5295(8) 0.1913(7) 0.107(6) Uani 1 d G . .
H36A H 0.0071 0.5009 0.2251 0.128 Uiso 1 calc R . .
C37 C -0.0034(2) 0.5558(9) 0.1129(7) 0.112(7) Uani 1 d G . .
H37A H -0.0379 0.5449 0.0943 0.134 Uiso 1 calc R . .
C38 C 0.0213(3) 0.5985(8) 0.0622(5) 0.088(5) Uani 1 d G . .
H38A H 0.0033 0.6162 0.0098 0.105 Uiso 1 calc R . .
C39 C 0.0729(3) 0.6149(6) 0.0900(4) 0.066(3) Uani 1 d G . .
H39A H 0.0894 0.6435 0.0561 0.080 Uiso 1 calc R . .
C40 C 0.1887(4) 0.5740(8) 0.3073(7) 0.051(2) Uani 1 d . . .
H40A H 0.2209 0.6064 0.3312 0.061 Uiso 1 calc R . .
H40B H 0.1651 0.6029 0.3325 0.061 Uiso 1 calc R . .
C41 C 0.1943(6) 0.4619(9) 0.3278(8) 0.071(4) Uani 1 d . . .
H41A H 0.1641 0.4384 0.3390 0.086 Uiso 1 calc R . .
H41B H 0.2222 0.4527 0.3763 0.086 Uiso 1 calc R . .
C42 C 0.2603(2) 0.3060(5) 0.2950(4) 0.049(2) Uani 1 d G . .
C43 C 0.2983(3) 0.3441(5) 0.3598(5) 0.065(3) Uani 1 d G . .
H43A H 0.2943 0.4063 0.3820 0.078 Uiso 1 calc R . .
C44 C 0.3423(3) 0.2891(8) 0.3914(5) 0.083(4) Uani 1 d G . .
H44A H 0.3678 0.3146 0.4347 0.099 Uiso 1 calc R . .
C45 C 0.3483(2) 0.1961(7) 0.3582(6) 0.089(5) Uani 1 d G . .
H45A H 0.3778 0.1594 0.3794 0.107 Uiso 1 calc R . .
C46 C 0.3103(3) 0.1580(5) 0.2934(6) 0.083(4) Uani 1 d G . .
H46A H 0.3143 0.0958 0.2713 0.100 Uiso 1 calc R . .
C47 C 0.2663(3) 0.2129(5) 0.2618(4) 0.061(3) Uani 1 d G . .
H47A H 0.2408 0.1875 0.2185 0.073 Uiso 1 calc R . .
C48 C 0.1528(7) 0.2927(18) 0.2320(15) 0.08(2) Uani 0.60 d PGU A 1
C49 C 0.1583(8) 0.212(2) 0.2854(16) 0.091(13) Uani 0.60 d PGU A 1
H49A H 0.1895 0.1988 0.3223 0.109 Uiso 0.60 calc PR A 1
C50 C 0.1172(12) 0.152(2) 0.284(2) 0.114(18) Uani 0.60 d PGU A 1
H50A H 0.1208 0.0982 0.3194 0.136 Uiso 0.60 calc PR A 1
C51 C 0.0706(10) 0.172(2) 0.229(2) 0.13(2) Uani 0.60 d PGU A 1
H51A H 0.0430 0.1317 0.2273 0.158 Uiso 0.60 calc PR A 1
C52 C 0.0651(7) 0.252(2) 0.1751(15) 0.087(10) Uani 0.60 d PGU A 1
H52A H 0.0339 0.2659 0.1382 0.104 Uiso 0.60 calc PR A 1
C53 C 0.1062(8) 0.3128(17) 0.1769(12) 0.063(7) Uani 0.60 d PGU A 1
H53A H 0.1026 0.3666 0.1412 0.076 Uiso 0.60 calc PR A 1
C48' C 0.1544(10) 0.290(2) 0.2347(15) 0.05(2) Uani 0.40 d PGU A 2
C49' C 0.1528(11) 0.239(3) 0.3033(15) 0.081(18) Uani 0.40 d PGU A 2
H49B H 0.1783 0.2472 0.3515 0.097 Uiso 0.40 calc PR A 2
C50' C 0.1130(13) 0.174(3) 0.300(2) 0.069(14) Uani 0.40 d PGU A 2
H50B H 0.1119 0.1390 0.3459 0.082 Uiso 0.40 calc PR A 2
C51' C 0.0748(11) 0.161(3) 0.228(2) 0.09(2) Uani 0.40 d PGU A 2
H51B H 0.0481 0.1175 0.2257 0.103 Uiso 0.40 calc PR A 2
C52' C 0.0764(11) 0.213(3) 0.1594(17) 0.12(3) Uani 0.40 d PGU A 2
H52B H 0.0508 0.2042 0.1112 0.144 Uiso 0.40 calc PR A 2
C53' C 0.1162(13) 0.278(3) 0.1627(13) 0.11(2) Uani 0.40 d PGU A 2
H53B H 0.1173 0.3124 0.1168 0.138 Uiso 0.40 calc PR A 2
C54 C 0.4645(5) 0.4285(11) 0.6110(8) 0.067(3) Uani 1 d . . .
C55 C 0.4442(7) 0.3858(16) 0.6746(11) 0.107(6) Uani 1 d . . .
H55A H 0.4696 0.3889 0.7259 0.160 Uiso 1 calc R . .
H55B H 0.4344 0.3168 0.6620 0.160 Uiso 1 calc R . .
H55C H 0.4155 0.4245 0.6768 0.160 Uiso 1 calc R . .
C56 C 0.5023(5) 0.3173(10) 0.4474(9) 0.070(4) Uani 1 d . . .
C57 C 0.5037(7) 0.2089(12) 0.4172(14) 0.117(8) Uani 1 d . . .
H57A H 0.5171 0.1647 0.4623 0.175 Uiso 1 calc R . .
H57B H 0.5247 0.2063 0.3824 0.175 Uiso 1 calc R . .
H57C H 0.4703 0.1878 0.3880 0.175 Uiso 1 calc R . .
C58 C 0.5994(7) 0.2997(16) 0.1454(18) 0.113(10) Uani 0.70 d PD . .
H58A H 0.6174 0.2568 0.1899 0.135 Uiso 0.70 calc PR . .
H58B H 0.5895 0.2582 0.0973 0.135 Uiso 0.70 calc PR . .
Cl1 Cl 0.6367(5) 0.3872(8) 0.1336(9) 0.187(5) Uani 0.70 d PDU . .
Cl2 Cl 0.5492(5) 0.3419(12) 0.1630(12) 0.256(9) Uani 0.70 d PDU . .
C59 C 0.052(3) 0.169(5) -0.102(3) 0.10(2) Uiso 0.25 d PD B 1
H59A H 0.0789 0.1557 -0.1262 0.117 Uiso 0.25 calc PR B 1
H59B H 0.0463 0.2413 -0.1047 0.117 Uiso 0.25 calc PR B 1
Cl3 Cl 0.0711(13) 0.135(4) -0.009(2) 0.25(3) Uani 0.25 d PDU B 1
Cl4 Cl 0.0019(17) 0.111(5) -0.153(2) 0.25(3) Uani 0.25 d PDU B 1
C59' C 0.0287(10) 0.155(5) -0.121(4) 0.13(2) Uiso 0.40 d PD C 2
H59C H 0.0193 0.1444 -0.1787 0.156 Uiso 0.40 calc PR C 2
H59D H 0.0250 0.2259 -0.1111 0.156 Uiso 0.40 calc PR C 2
Cl3' Cl 0.0868(8) 0.122(2) -0.0816(19) 0.213(11) Uani 0.40 d PDU C 2
Cl4' Cl -0.0088(9) 0.090(3) -0.084(4) 0.34(2) Uani 0.40 d PDU C 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
_geom_angle_publ_flag
N1 W P3 85.6(3) . . ?
N1 W P4 85.4(3) . . ?
P3 W P4 78.58(9) . . ?
N1 W P1 98.6(3) . . ?
P3 W P1 175.76(8) . . ?
P4 W P1 102.33(9) . . ?
N1 W P2 99.6(3) . . ?
P3 W P2 101.05(9) . . ?
P4 W P2 174.94(9) . . ?
P1 W P2 77.67(8) . . ?
N1 W Br 177.0(3) . . ?
P3 W Br 91.84(7) . . ?
P4 W Br 95.43(7) . . ?
P1 W Br 83.96(7) . . ?
P2 W Br 79.52(7) . . ?
O2 Rh O3 90.1(4) . 3_666 ?
O2 Rh O4 175.9(3) . 3_666 ?
O3 Rh O4 90.1(4) 3_666 3_666 ?
O2 Rh O1 89.4(4) . . ?
O3 Rh O1 175.4(3) 3_666 . ?
O4 Rh O1 90.1(4) 3_666 . ?
O2 Rh N3 91.6(4) . . ?
O3 Rh N3 90.1(4) 3_666 . ?
O4 Rh N3 92.5(4) 3_666 . ?
O1 Rh N3 94.4(4) . . ?
O2 Rh Rh 88.5(2) . 3_666 ?
O3 Rh Rh 87.7(2) 3_666 3_666 ?
O4 Rh Rh 87.4(2) 3_666 3_666 ?
O1 Rh Rh 87.8(2) . 3_666 ?
N3 Rh Rh 177.8(3) . 3_666 ?
C14 P1 C2 106.2(4) . . ?
C14 P1 C8 100.2(5) . . ?
C2 P1 C8 103.4(4) . . ?
C14 P1 W 107.7(4) . . ?
C2 P1 W 111.6(3) . . ?
C8 P1 W 125.9(3) . . ?
C16 P2 C22 101.3(4) . . ?
C16 P2 C15 99.0(6) . . ?
C22 P2 C15 105.1(5) . . ?
C16 P2 W 120.7(3) . . ?
C22 P2 W 117.3(3) . . ?
C15 P2 W 110.9(4) . . ?
C34 P3 C40 105.8(4) . . ?
C34 P3 C28 103.2(4) . . ?
C40 P3 C28 99.8(4) . . ?
C34 P3 W 118.7(3) . . ?
C40 P3 W 104.5(3) . . ?
C28 P3 W 122.2(3) . . ?
C42 P4 C48' 101.1(10) . . ?
C42 P4 C48 102.9(8) . . ?
C48' P4 C48 1.9(15) . . ?
C42 P4 C41 104.2(5) . . ?
C48' P4 C41 98.2(10) . . ?
C48 P4 C41 98.3(10) . . ?
C42 P4 W 113.4(3) . . ?
C48' P4 W 127.9(9) . . ?
C48 P4 W 126.2(7) . . ?
C41 P4 W 109.0(4) . . ?
C54 O1 Rh 118.3(8) . . ?
C56 O2 Rh 117.8(8) . . ?
C54 O3 Rh 119.4(9) . 3_666 ?
C56 O4 Rh 119.1(8) . 3_666 ?
N2 N1 W 168.4(7) . . ?
N3 C1 N2 169.4(13) . . ?
C1 N3 Rh 170.4(11) . . ?
N1 N2 C1 123.6(10) . . ?
C3 C2 C7 120.0 . . ?
C3 C2 P1 122.6(4) . . ?
C7 C2 P1 117.4(4) . . ?
C4 C3 C2 120.0 . . ?
C5 C4 C3 120.0 . . ?
C4 C5 C6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C6 C7 C2 120.0 . . ?
C9 C8 C13 120.0 . . ?
C9 C8 P1 118.5(4) . . ?
C13 C8 P1 121.5(4) . . ?
C10 C9 C8 120.0 . . ?
C9 C10 C11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C12 C13 C8 120.0 . . ?
C15 C14 P1 116.0(8) . . ?
C14 C15 P2 113.1(8) . . ?
C17 C16 C21 120.0 . . ?
C17 C16 P2 118.8(5) . . ?
C21 C16 P2 121.0(5) . . ?
C18 C17 C16 120.0 . . ?
C17 C18 C19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C19 C20 C21 120.0 . . ?
C20 C21 C16 120.0 . . ?
C23 C22 C27 120.0 . . ?
C23 C22 P2 117.9(4) . . ?
C27 C22 P2 122.0(4) . . ?
C22 C23 C24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C24 C25 C26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C26 C27 C22 120.0 . . ?
C29 C28 C33 120.0 . . ?
C29 C28 P3 122.4(4) . . ?
C33 C28 P3 117.6(4) . . ?
C30 C29 C28 120.0 . . ?
C29 C30 C31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C31 C32 C33 120.0 . . ?
C32 C33 C28 120.0 . . ?
C35 C34 C39 120.0 . . ?
C35 C34 P3 121.7(5) . . ?
C39 C34 P3 118.2(5) . . ?
C34 C35 C36 120.0 . . ?
C35 C36 C37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C37 C38 C39 120.0 . . ?
C38 C39 C34 120.0 . . ?
C41 C40 P3 116.0(8) . . ?
C40 C41 P4 113.1(8) . . ?
C43 C42 C47 120.0 . . ?
C43 C42 P4 121.1(4) . . ?
C47 C42 P4 118.6(4) . . ?
C42 C43 C44 120.0 . . ?
C45 C44 C43 120.0 . . ?
C46 C45 C44 120.0 . . ?
C45 C46 C47 120.0 . . ?
C46 C47 C42 120.0 . . ?
C49 C48 C53 120.0 . . ?
C49 C48 P4 119.3(13) . . ?
C53 C48 P4 120.1(13) . . ?
C50 C49 C48 120.0 . . ?
C49 C50 C51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C51 C52 C53 120.0 . . ?
C52 C53 C48 120.0 . . ?
C49' C48' C53' 120.0 . . ?
C49' C48' P4 118.1(16) . . ?
C53' C48' P4 121.8(16) . . ?
C48' C49' C50' 120.0 . . ?
C51' C50' C49' 120.0 . . ?
C52' C51' C50' 120.0 . . ?
C51' C52' C53' 120.0 . . ?
C52' C53' C48' 120.0 . . ?
O3 C54 O1 126.8(12) . . ?
O3 C54 C55 116.9(13) . . ?
O1 C54 C55 116.4(12) . . ?
O4 C56 O2 127.1(12) . . ?
O4 C56 C57 116.5(13) . . ?
O2 C56 C57 116.4(13) . . ?
Cl1 C58 Cl2 113.9(14) . . ?
Cl3 C59 Cl4 112.9(16) . . ?
Cl3' C59' Cl4' 112.3(16) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W N1 1.751(9) . ?
W P3 2.486(2) . ?
W P4 2.491(3) . ?
W P1 2.498(2) . ?
W P2 2.508(3) . ?
W Br 2.6261(12) . ?
Rh O2 2.031(9) . ?
Rh O3 2.033(9) 3_666 ?
Rh O4 2.036(8) 3_666 ?
Rh O1 2.049(9) . ?
Rh N3 2.235(9) . ?
Rh Rh 2.3960(15) 3_666 ?
P1 C14 1.796(11) . ?
P1 C2 1.810(6) . ?
P1 C8 1.836(5) . ?
P2 C16 1.830(6) . ?
P2 C22 1.835(6) . ?
P2 C15 1.871(13) . ?
P3 C34 1.807(6) . ?
P3 C40 1.833(11) . ?
P3 C28 1.837(6) . ?
P4 C42 1.828(6) . ?
P4 C48' 1.835(19) . ?
P4 C48 1.843(18) . ?
P4 C41 1.888(13) . ?
O1 C54 1.255(15) . ?
O2 C56 1.267(16) . ?
O3 C54 1.245(15) . ?
O4 C56 1.247(16) . ?
N1 N2 1.324(13) . ?
C1 N3 1.130(15) . ?
C1 N2 1.336(15) . ?
C2 C3 1.3900 . ?
C2 C7 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C6 C7 1.3900 . ?
C8 C9 1.3900 . ?
C8 C13 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C11 C12 1.3900 . ?
C12 C13 1.3900 . ?
C14 C15 1.524(16) . ?
C16 C17 1.3900 . ?
C16 C21 1.3900 . ?
C17 C18 1.3900 . ?
C18 C19 1.3900 . ?
C19 C20 1.3900 . ?
C20 C21 1.3900 . ?
C22 C23 1.3900 . ?
C22 C27 1.3900 . ?
C23 C24 1.3900 . ?
C24 C25 1.3900 . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
C28 C29 1.3900 . ?
C28 C33 1.3900 . ?
C29 C30 1.3900 . ?
C30 C31 1.3900 . ?
C31 C32 1.3900 . ?
C32 C33 1.3900 . ?
C34 C35 1.3900 . ?
C34 C39 1.3900 . ?
C35 C36 1.3900 . ?
C36 C37 1.3900 . ?
C37 C38 1.3900 . ?
C38 C39 1.3900 . ?
C40 C41 1.522(16) . ?
C42 C43 1.3900 . ?
C42 C47 1.3900 . ?
C43 C44 1.3900 . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
C46 C47 1.3900 . ?
C48 C49 1.3900 . ?
C48 C53 1.3900 . ?
C49 C50 1.3900 . ?
C50 C51 1.3900 . ?
C51 C52 1.3900 . ?
C52 C53 1.3900 . ?
C48' C49' 1.3900 . ?
C48' C53' 1.3900 . ?
C49' C50' 1.3900 . ?
C50' C51' 1.3900 . ?
C51' C52' 1.3900 . ?
C52' C53' 1.3900 . ?
C54 O3 1.245(15) . ?
C54 C55 1.50(2) . ?
C56 O4 1.247(16) . ?
C56 C57 1.531(18) . ?
C58 Cl1 1.611(14) . ?
C58 Cl2 1.618(14) . ?
C59 Cl3 1.615(15) . ?
C59 Cl4 1.616(15) . ?
C59' Cl3' 1.616(15) . ?
C59' Cl4' 1.617(15) . ?
