#------------------------------------------------------------------------------
#$Date: 2017-05-04 04:49:20 +0300 (Thu, 04 May 2017) $
#$Revision: 195951 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/81/7228187.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_7228187
loop_
_publ_author_name
'Krawczyk, Monika K.'
'Bikas, Rahman'
'Krawczyk, Marta S.'
'Lis, Tadeusz'
_publ_section_title
;
 On the Rhenium(I)--Silver(I) Cyanide Porous Macrocyclic Clusters
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE00646B
_journal_year                    2017
_chemical_formula_moiety         'C116 H90 Ag2 N4 O4 P6 Re2'
_chemical_formula_sum            'C116 H90 Ag2 N4 O4 P6 Re2'
_chemical_formula_weight         2377.87
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-02-06 deposited with the CCDC.
2017-05-03 downloaded from the CCDC.
;
_cell_angle_alpha                93.85(3)
_cell_angle_beta                 107.03(3)
_cell_angle_gamma                110.46(3)
_cell_formula_units_Z            1
_cell_length_a                   12.864(4)
_cell_length_b                   14.241(4)
_cell_length_c                   15.442(5)
_cell_measurement_reflns_used    6402
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.72
_cell_measurement_theta_min      2.69
_cell_volume                     2488.5(16)
_computing_cell_refinement
'CrysAlisPro, Agilent Technologies,Version 1.171.36.21'
_computing_data_collection
'CrysAlisPro, Agilent Technologies,Version 1.171.36.21'
_computing_data_reduction
'CrysAlisPro, Agilent Technologies,Version 1.171.36.21'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'shelxs-97 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measurement_device_type  'Xcalibur with CCD Ruby detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0460
_diffrn_reflns_av_unetI/netI     0.0980
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.893
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25067
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.893
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         30.787
_diffrn_reflns_theta_min         2.691
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.96
_exptl_absorpt_correction_T_max  0.863
_exptl_absorpt_correction_T_min  0.709
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_description       plate
_exptl_crystal_F_000             1180
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.40
_refine_diff_density_min         -0.95
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         13932
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0531
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0183P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0787
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10545
_reflns_number_total             13932
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce00646b2.cif
_cod_data_source_block           mora1ba
_cod_original_cell_volume        2488.5(14)
_cod_database_code               7228187
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.589
_shelx_estimated_absorpt_t_max   0.819
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Re Re 0.33138(2) 0.29617(2) 0.24809(2) 0.01386(5) Uani 1 1 d . .
Ag Ag 0.44071(3) 0.69134(2) 0.39566(2) 0.01773(8) Uani 1 1 d . .
P1 P 0.52038(10) 0.35301(8) 0.22560(8) 0.0151(2) Uani 1 1 d . .
C1A C 0.5410(4) 0.2762(3) 0.1364(3) 0.0142(9) Uani 1 1 d . .
C2A C 0.4459(4) 0.2082(3) 0.0638(3) 0.0183(10) Uani 1 1 d . .
H2A H 0.3682 0.1997 0.0608 0.022 Uiso 1 1 calc R U
C3A C 0.4617(4) 0.1523(3) -0.0045(3) 0.0247(11) Uani 1 1 d . .
H3A H 0.3953 0.1055 -0.0535 0.030 Uiso 1 1 calc R U
C4A C 0.5747(4) 0.1650(3) -0.0011(3) 0.0248(11) Uani 1 1 d . .
H4A H 0.5862 0.1270 -0.0479 0.030 Uiso 1 1 calc R U
C5A C 0.6706(4) 0.2330(4) 0.0707(3) 0.0269(12) Uani 1 1 d . .
H5A H 0.7480 0.2413 0.0734 0.032 Uiso 1 1 calc R U
C6A C 0.6549(4) 0.2889(3) 0.1383(3) 0.0216(10) Uani 1 1 d . .
H6A H 0.7215 0.3365 0.1866 0.026 Uiso 1 1 calc R U
C1B C 0.6371(4) 0.3589(3) 0.3304(3) 0.0169(10) Uani 1 1 d . .
C2B C 0.6595(4) 0.2714(3) 0.3457(3) 0.0219(11) Uani 1 1 d . .
H2B H 0.6217 0.2125 0.2983 0.026 Uiso 1 1 calc R U
C3B C 0.7358(4) 0.2693(4) 0.4289(4) 0.0302(13) Uani 1 1 d . .
H3B H 0.7507 0.2093 0.4383 0.036 Uiso 1 1 calc R U
C4B C 0.7905(4) 0.3545(4) 0.4986(4) 0.0337(13) Uani 1 1 d . .
H4B H 0.8440 0.3535 0.5556 0.040 Uiso 1 1 calc R U
C5B C 0.7670(4) 0.4418(3) 0.4849(3) 0.0328(13) Uani 1 1 d . .
H5B H 0.8035 0.5004 0.5328 0.039 Uiso 1 1 calc R U
C6B C 0.6901(4) 0.4422(3) 0.4011(3) 0.0251(11) Uani 1 1 d . .
H6B H 0.6734 0.5015 0.3921 0.030 Uiso 1 1 calc R U
C1C C 0.5762(4) 0.4792(3) 0.1940(3) 0.0178(10) Uani 1 1 d . .
C2C C 0.4973(4) 0.5153(3) 0.1396(4) 0.0267(12) Uani 1 1 d . .
H2C H 0.4149 0.4787 0.1247 0.032 Uiso 1 1 calc R U
C3C C 0.5381(4) 0.6048(4) 0.1067(4) 0.0303(13) Uani 1 1 d . .
H3C H 0.4835 0.6294 0.0700 0.036 Uiso 1 1 calc R U
C4C C 0.6573(4) 0.6581(4) 0.1272(4) 0.0302(13) Uani 1 1 d . .
H4C H 0.6849 0.7186 0.1038 0.036 Uiso 1 1 calc R U
C5C C 0.7358(4) 0.6232(3) 0.1815(4) 0.0344(14) Uani 1 1 d . .
H5C H 0.8181 0.6605 0.1965 0.041 Uiso 1 1 calc R U
C6C C 0.6963(4) 0.5342(3) 0.2148(4) 0.0278(12) Uani 1 1 d . .
H6C H 0.7516 0.5106 0.2520 0.033 Uiso 1 1 calc R U
P2 P 0.15117(10) 0.25332(8) 0.28373(9) 0.0167(3) Uani 1 1 d . .
C1D C 0.1537(4) 0.2298(3) 0.3995(3) 0.0193(10) Uani 1 1 d . .
C2D C 0.0642(4) 0.1502(3) 0.4154(4) 0.0258(11) Uani 1 1 d . .
H2D H 0.0010 0.1025 0.3650 0.031 Uiso 1 1 calc R U
C3D C 0.0683(5) 0.1412(4) 0.5057(4) 0.0342(14) Uani 1 1 d . .
H3D H 0.0071 0.0876 0.5163 0.041 Uiso 1 1 calc R U
C4D C 0.1596(5) 0.2087(3) 0.5793(4) 0.0283(12) Uani 1 1 d . .
H4D H 0.1620 0.2011 0.6404 0.034 Uiso 1 1 calc R U
C5D C 0.2482(4) 0.2876(4) 0.5647(4) 0.0271(12) Uani 1 1 d . .
H5D H 0.3116 0.3343 0.6158 0.032 Uiso 1 1 calc R U
C6D C 0.2449(4) 0.2989(3) 0.4761(3) 0.0181(10) Uani 1 1 d . .
H6D H 0.3054 0.3544 0.4667 0.022 Uiso 1 1 calc R U
C1E C 0.0804(4) 0.3468(3) 0.2749(3) 0.0191(10) Uani 1 1 d . .
C2E C 0.1155(4) 0.4295(3) 0.2310(3) 0.0206(10) Uani 1 1 d . .
H2E H 0.1725 0.4353 0.2019 0.025 Uiso 1 1 calc R U
C3E C 0.0670(4) 0.5031(3) 0.2299(3) 0.0227(11) Uani 1 1 d . .
H3E H 0.0900 0.5582 0.1990 0.027 Uiso 1 1 calc R U
C4E C -0.0139(4) 0.4965(3) 0.2733(3) 0.0242(11) Uani 1 1 d . .
H4E H -0.0448 0.5480 0.2737 0.029 Uiso 1 1 calc R U
C5E C -0.0504(4) 0.4148(3) 0.3165(3) 0.0254(11) Uani 1 1 d . .
H5E H -0.1075 0.4096 0.3454 0.030 Uiso 1 1 calc R U
C6E C -0.0033(4) 0.3407(3) 0.3174(3) 0.0232(11) Uani 1 1 d . .
H6E H -0.0282 0.2851 0.3473 0.028 Uiso 1 1 calc R U
C1F C 0.0357(4) 0.1384(3) 0.2052(3) 0.0229(11) Uani 1 1 d . .
C2F C -0.0495(4) 0.1428(4) 0.1297(3) 0.0264(12) Uani 1 1 d . .
H2F H -0.0573 0.2061 0.1231 0.032 Uiso 1 1 calc R U
C3F C -0.1256(4) 0.0557(4) 0.0615(4) 0.0398(15) Uani 1 1 d . .
H3F H -0.1827 0.0605 0.0085 0.048 Uiso 1 1 calc R U
C4F C -0.1165(5) -0.0365(4) 0.0725(4) 0.0438(16) Uani 1 1 d . .
H4F H -0.1683 -0.0959 0.0272 0.053 Uiso 1 1 calc R U
C5F C -0.0329(4) -0.0431(4) 0.1486(4) 0.0361(14) Uani 1 1 d . .
H5F H -0.0274 -0.1072 0.1555 0.043 Uiso 1 1 calc R U
C6F C 0.0436(4) 0.0432(3) 0.2157(4) 0.0304(12) Uani 1 1 d . .
H6F H 0.1008 0.0380 0.2683 0.037 Uiso 1 1 calc R U
P3 P 0.38876(10) 0.80184(8) 0.29941(8) 0.0163(3) Uani 1 1 d . .
C1G C 0.3202(4) 0.8741(3) 0.3474(3) 0.0176(10) Uani 1 1 d . .
C2G C 0.3807(4) 0.9748(3) 0.3923(3) 0.0252(11) Uani 1 1 d . .
H2G H 0.4583 1.0113 0.3926 0.030 Uiso 1 1 calc R U
C3G C 0.3280(5) 1.0229(4) 0.4373(4) 0.0337(13) Uani 1 1 d . .
H3G H 0.3701 1.0920 0.4682 0.040 Uiso 1 1 calc R U
C4G C 0.2161(5) 0.9711(4) 0.4371(4) 0.0346(13) Uani 1 1 d . .
H4G H 0.1808 1.0043 0.4679 0.042 Uiso 1 1 calc R U
C5G C 0.1541(5) 0.8705(4) 0.3921(4) 0.0328(13) Uani 1 1 d . .
H5G H 0.0760 0.8348 0.3913 0.039 Uiso 1 1 calc R U
C6G C 0.2067(4) 0.8224(3) 0.3484(3) 0.0257(11) Uani 1 1 d . .
H6G H 0.1647 0.7529 0.3185 0.031 Uiso 1 1 calc R U
C1H C 0.5109(4) 0.8962(3) 0.2766(3) 0.0169(10) Uani 1 1 d . .
C2H C 0.4953(4) 0.9680(3) 0.2235(3) 0.0205(10) Uani 1 1 d . .
H2H H 0.4198 0.9712 0.2008 0.025 Uiso 1 1 calc R U
C3H C 0.5890(4) 1.0351(3) 0.2032(3) 0.0245(11) Uani 1 1 d . .
H3H H 0.5773 1.0838 0.1664 0.029 Uiso 1 1 calc R U
C4H C 0.6997(4) 1.0313(3) 0.2365(4) 0.0306(12) Uani 1 1 d . .
H4H H 0.7639 1.0775 0.2227 0.037 Uiso 1 1 calc R U
C5H C 0.7162(5) 0.9607(4) 0.2895(4) 0.0365(14) Uani 1 1 d . .
H5H H 0.7920 0.9582 0.3126 0.044 Uiso 1 1 calc R U
C6H C 0.6216(4) 0.8927(3) 0.3094(4) 0.0283(12) Uani 1 1 d . .
H6H H 0.6333 0.8436 0.3457 0.034 Uiso 1 1 calc R U
C1I C 0.2812(4) 0.7364(3) 0.1851(3) 0.0174(10) Uani 1 1 d . .
C2I C 0.2878(4) 0.6482(3) 0.1462(3) 0.0225(11) Uani 1 1 d . .
H2I H 0.3482 0.6266 0.1780 0.027 Uiso 1 1 calc R U
C3I C 0.2068(5) 0.5921(4) 0.0619(4) 0.0346(13) Uani 1 1 d . .
H3I H 0.2131 0.5334 0.0347 0.042 Uiso 1 1 calc R U
C4I C 0.1166(5) 0.6212(4) 0.0169(4) 0.0372(14) Uani 1 1 d . .
H4I H 0.0596 0.5814 -0.0403 0.045 Uiso 1 1 calc R U
C5I C 0.1089(4) 0.7081(4) 0.0551(4) 0.0347(14) Uani 1 1 d . .
H5I H 0.0462 0.7275 0.0242 0.042 Uiso 1 1 calc R U
C6I C 0.1923(4) 0.7670(4) 0.1381(3) 0.0243(11) Uani 1 1 d . .
H6I H 0.1888 0.8282 0.1628 0.029 Uiso 1 1 calc R U
C10 C 0.3847(4) 0.4514(3) 0.3097(3) 0.0162(10) Uani 1 1 d . .
N1 N 0.4173(3) 0.5342(3) 0.3468(3) 0.0242(10) Uani 1 1 d . .
C20 C 0.4199(4) 0.2819(3) 0.3817(3) 0.0172(10) Uani 1 1 d . .
N2 N 0.4700(3) 0.2770(3) 0.4555(3) 0.0218(9) Uani 1 1 d . .
C2 C 0.2984(4) 0.1548(3) 0.2057(3) 0.0182(10) Uani 1 1 d . .
O2 O 0.2814(3) 0.0698(2) 0.1806(2) 0.0265(8) Uani 1 1 d . .
C1 C 0.2472(4) 0.3070(3) 0.1253(3) 0.0193(10) Uani 1 1 d . .
O1 O 0.1929(3) 0.3088(2) 0.0509(2) 0.0283(8) Uani 1 1 d . .
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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
C2 Re C1 90.65(18) . .
C2 Re C20 88.70(18) . .
C1 Re C20 178.84(18) . .
C2 Re C10 172.75(17) . .
C1 Re C10 96.27(17) . .
C20 Re C10 84.42(16) . .
C2 Re P1 92.35(13) . .
C1 Re P1 94.01(14) . .
C20 Re P1 86.98(13) . .
C10 Re P1 85.03(12) . .
C2 Re P2 92.43(13) . .
C1 Re P2 89.14(14) . .
C20 Re P2 89.92(13) . .
C10 Re P2 89.83(12) . .
P1 Re P2 174.24(4) . .
N2 Ag N1 105.95(14) 2_666 .
N2 Ag P3 129.01(10) 2_666 .
N1 Ag P3 124.91(11) . .
C1B P1 C1A 102.9(2) . .
C1B P1 C1C 104.5(2) . .
C1A P1 C1C 99.1(2) . .
C1B P1 Re 110.84(15) . .
C1A P1 Re 118.92(14) . .
C1C P1 Re 118.49(15) . .
C2A C1A C6A 118.3(4) . .
C2A C1A P1 121.3(3) . .
C6A C1A P1 120.3(3) . .
C1A C2A C3A 121.3(4) . .
C1A C2A H2A 119.4 . .
C3A C2A H2A 119.4 . .
C2A C3A C4A 119.7(5) . .
C2A C3A H3A 120.1 . .
C4A C3A H3A 120.1 . .
C5A C4A C3A 119.6(5) . .
C5A C4A H4A 120.2 . .
C3A C4A H4A 120.2 . .
C6A C5A C4A 120.6(5) . .
C6A C5A H5A 119.7 . .
C4A C5A H5A 119.7 . .
C5A C6A C1A 120.4(4) . .
C5A C6A H6A 119.8 . .
C1A C6A H6A 119.8 . .
C6B C1B C2B 118.5(4) . .
C6B C1B P1 121.3(3) . .
C2B C1B P1 119.4(3) . .
C3B C2B C1B 120.9(4) . .
C3B C2B H2B 119.5 . .
C1B C2B H2B 119.5 . .
C2B C3B C4B 119.9(4) . .
C2B C3B H3B 120.0 . .
C4B C3B H3B 120.0 . .
C3B C4B C5B 119.8(5) . .
C3B C4B H4B 120.1 . .
C5B C4B H4B 120.1 . .
C6B C5B C4B 119.3(4) . .
C6B C5B H5B 120.4 . .
C4B C5B H5B 120.4 . .
C1B C6B C5B 121.6(4) . .
C1B C6B H6B 119.2 . .
C5B C6B H6B 119.2 . .
C2C C1C C6C 118.7(4) . .
C2C C1C P1 119.6(3) . .
C6C C1C P1 121.3(3) . .
C1C C2C C3C 120.4(4) . .
C1C C2C H2C 119.8 . .
C3C C2C H2C 119.8 . .
C4C C3C C2C 120.3(4) . .
C4C C3C H3C 119.9 . .
C2C C3C H3C 119.9 . .
C5C C4C C3C 119.6(4) . .
C5C C4C H4C 120.2 . .
C3C C4C H4C 120.2 . .
C4C C5C C6C 120.6(5) . .
C4C C5C H5C 119.7 . .
C6C C5C H5C 119.7 . .
C5C C6C C1C 120.4(4) . .
C5C C6C H6C 119.8 . .
C1C C6C H6C 119.8 . .
C1F P2 C1D 104.9(2) . .
C1F P2 C1E 103.3(2) . .
C1D P2 C1E 98.9(2) . .
C1F P2 Re 110.69(16) . .
C1D P2 Re 118.89(15) . .
C1E P2 Re 118.13(15) . .
C2D C1D C6D 118.1(5) . .
C2D C1D P2 123.1(4) . .
C6D C1D P2 118.6(3) . .
C3D C2D C1D 119.8(5) . .
C3D C2D H2D 120.1 . .
C1D C2D H2D 120.1 . .
C4D C3D C2D 120.8(5) . .
C4D C3D H3D 119.6 . .
C2D C3D H3D 119.6 . .
C3D C4D C5D 120.1(5) . .
C3D C4D H4D 120.0 . .
C5D C4D H4D 120.0 . .
C6D C5D C4D 120.0(5) . .
C6D C5D H5D 120.0 . .
C4D C5D H5D 120.0 . .
C5D C6D C1D 121.1(4) . .
C5D C6D H6D 119.4 . .
C1D C6D H6D 119.4 . .
C6E C1E C2E 118.5(4) . .
C6E C1E P2 120.8(3) . .
C2E C1E P2 120.6(4) . .
C3E C2E C1E 120.1(4) . .
C3E C2E H2E 119.9 . .
C1E C2E H2E 119.9 . .
C4E C3E C2E 120.5(4) . .
C4E C3E H3E 119.8 . .
C2E C3E H3E 119.8 . .
C3E C4E C5E 120.2(4) . .
C3E C4E H4E 119.9 . .
C5E C4E H4E 119.9 . .
C6E C5E C4E 119.8(5) . .
C6E C5E H5E 120.1 . .
C4E C5E H5E 120.1 . .
C5E C6E C1E 120.9(4) . .
C5E C6E H6E 119.5 . .
C1E C6E H6E 119.5 . .
C2F C1F C6F 118.7(4) . .
C2F C1F P2 122.0(3) . .
C6F C1F P2 118.8(4) . .
C1F C2F C3F 121.4(5) . .
C1F C2F H2F 119.3 . .
C3F C2F H2F 119.3 . .
C4F C3F C2F 119.2(5) . .
C4F C3F H3F 120.4 . .
C2F C3F H3F 120.4 . .
C3F C4F C5F 120.4(5) . .
C3F C4F H4F 119.8 . .
C5F C4F H4F 119.8 . .
C4F C5F C6F 120.6(5) . .
C4F C5F H5F 119.7 . .
C6F C5F H5F 119.7 . .
C5F C6F C1F 119.7(5) . .
C5F C6F H6F 120.2 . .
C1F C6F H6F 120.2 . .
C1G P3 C1H 105.6(2) . .
C1G P3 C1I 104.3(2) . .
C1H P3 C1I 104.6(2) . .
C1G P3 Ag 112.12(14) . .
C1H P3 Ag 115.07(14) . .
C1I P3 Ag 114.16(14) . .
C2G C1G C6G 118.7(4) . .
C2G C1G P3 122.6(4) . .
C6G C1G P3 118.2(3) . .
C1G C2G C3G 120.2(5) . .
C1G C2G H2G 119.9 . .
C3G C2G H2G 119.9 . .
C4G C3G C2G 120.4(5) . .
C4G C3G H3G 119.8 . .
C2G C3G H3G 119.8 . .
C3G C4G C5G 120.2(5) . .
C3G C4G H4G 119.9 . .
C5G C4G H4G 119.9 . .
C4G C5G C6G 119.5(5) . .
C4G C5G H5G 120.2 . .
C6G C5G H5G 120.2 . .
C5G C6G C1G 121.0(5) . .
C5G C6G H6G 119.5 . .
C1G C6G H6G 119.5 . .
C2H C1H C6H 119.0(4) . .
C2H C1H P3 122.0(3) . .
C6H C1H P3 118.9(3) . .
C1H C2H C3H 120.5(4) . .
C1H C2H H2H 119.7 . .
C3H C2H H2H 119.7 . .
C2H C3H C4H 120.1(4) . .
C2H C3H H3H 119.9 . .
C4H C3H H3H 119.9 . .
C5H C4H C3H 119.8(5) . .
C5H C4H H4H 120.1 . .
C3H C4H H4H 120.1 . .
C4H C5H C6H 120.0(5) . .
C4H C5H H5H 120.0 . .
C6H C5H H5H 120.0 . .
C1H C6H C5H 120.6(4) . .
C1H C6H H6H 119.7 . .
C5H C6H H6H 119.7 . .
C6I C1I C2I 119.3(4) . .
C6I C1I P3 124.0(4) . .
C2I C1I P3 116.7(3) . .
C3I C2I C1I 120.2(5) . .
C3I C2I H2I 119.9 . .
C1I C2I H2I 119.9 . .
C4I C3I C2I 120.1(5) . .
C4I C3I H3I 119.9 . .
C2I C3I H3I 119.9 . .
C3I C4I C5I 120.1(5) . .
C3I C4I H4I 119.9 . .
C5I C4I H4I 119.9 . .
C4I C5I C6I 120.2(5) . .
C4I C5I H5I 119.9 . .
C6I C5I H5I 119.9 . .
C5I C6I C1I 120.0(5) . .
C5I C6I H6I 120.0 . .
C1I C6I H6I 120.0 . .
N1 C10 Re 176.4(4) . .
C10 N1 Ag 166.6(4) . .
N2 C20 Re 178.0(4) . .
C20 N2 Ag 163.6(4) . 2_666
O2 C2 Re 178.3(4) . .
O1 C1 Re 176.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re C2 1.929(5) .
Re C1 1.935(5) .
Re C20 2.107(5) .
Re C10 2.130(4) .
Re P1 2.4173(15) .
Re P2 2.4192(14) .
Ag N2 2.181(4) 2_666
Ag N1 2.200(4) .
Ag P3 2.3662(13) .
P1 C1B 1.830(4) .
P1 C1A 1.838(5) .
P1 C1C 1.846(4) .
C1A C2A 1.383(6) .
C1A C6A 1.403(6) .
C2A C3A 1.383(6) .
C2A H2A 0.9500 .
C3A C4A 1.385(6) .
C3A H3A 0.9500 .
C4A C5A 1.382(7) .
C4A H4A 0.9500 .
C5A C6A 1.374(6) .
C5A H5A 0.9500 .
C6A H6A 0.9500 .
C1B C6B 1.375(6) .
C1B C2B 1.393(5) .
C2B C3B 1.379(6) .
C2B H2B 0.9500 .
C3B C4B 1.382(7) .
C3B H3B 0.9500 .
C4B C5B 1.395(6) .
C4B H4B 0.9500 .
C5B C6B 1.382(6) .
C5B H5B 0.9500 .
C6B H6B 0.9500 .
C1C C2C 1.386(6) .
C1C C6C 1.391(6) .
C2C C3C 1.390(6) .
C2C H2C 0.9500 .
C3C C4C 1.377(7) .
C3C H3C 0.9500 .
C4C C5C 1.371(6) .
C4C H4C 0.9500 .
C5C C6C 1.385(6) .
C5C H5C 0.9500 .
C6C H6C 0.9500 .
P2 C1F 1.825(5) .
P2 C1D 1.834(5) .
P2 C1E 1.849(4) .
C1D C2D 1.400(6) .
C1D C6D 1.403(6) .
C2D C3D 1.396(7) .
C2D H2D 0.9500 .
C3D C4D 1.369(7) .
C3D H3D 0.9500 .
C4D C5D 1.379(6) .
C4D H4D 0.9500 .
C5D C6D 1.378(6) .
C5D H5D 0.9500 .
C6D H6D 0.9500 .
C1E C6E 1.397(6) .
C1E C2E 1.402(6) .
C2E C3E 1.394(6) .
C2E H2E 0.9500 .
C3E C4E 1.374(6) .
C3E H3E 0.9500 .
C4E C5E 1.388(6) .
C4E H4E 0.9500 .
C5E C6E 1.387(6) .
C5E H5E 0.9500 .
C6E H6E 0.9500 .
C1F C2F 1.370(6) .
C1F C6F 1.412(6) .
C2F C3F 1.406(7) .
C2F H2F 0.9500 .
C3F C4F 1.375(7) .
C3F H3F 0.9500 .
C4F C5F 1.376(7) .
C4F H4F 0.9500 .
C5F C6F 1.393(7) .
C5F H5F 0.9500 .
C6F H6F 0.9500 .
P3 C1G 1.818(5) .
P3 C1H 1.819(4) .
P3 C1I 1.829(5) .
C1G C2G 1.382(6) .
C1G C6G 1.391(6) .
C2G C3G 1.395(7) .
C2G H2G 0.9500 .
C3G C4G 1.368(7) .
C3G H3G 0.9500 .
C4G C5G 1.383(7) .
C4G H4G 0.9500 .
C5G C6G 1.384(6) .
C5G H5G 0.9500 .
C6G H6G 0.9500 .
C1H C2H 1.384(6) .
C1H C6H 1.385(6) .
C2H C3H 1.386(6) .
C2H H2H 0.9500 .
C3H C4H 1.388(7) .
C3H H3H 0.9500 .
C4H C5H 1.372(6) .
C4H H4H 0.9500 .
C5H C6H 1.396(7) .
C5H H5H 0.9500 .
C6H H6H 0.9500 .
C1I C6I 1.388(6) .
C1I C2I 1.397(6) .
C2I C3I 1.380(6) .
C2I H2I 0.9500 .
C3I C4I 1.379(7) .
C3I H3I 0.9500 .
C4I C5I 1.382(7) .
C4I H4I 0.9500 .
C5I C6I 1.385(7) .
C5I H5I 0.9500 .
C6I H6I 0.9500 .
C10 N1 1.147(5) .
C20 N2 1.153(5) .
N2 Ag 2.181(4) 2_666
C2 O2 1.168(5) .
C1 O1 1.164(5) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C2H H2H O2 0.95 2.59 3.460(5) 151.8 1_565
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
C1B P1 C1A C2A 144.2(3)
C1C P1 C1A C2A -108.6(4)
C1B P1 C1A C6A -38.8(4)
C1C P1 C1A C6A 68.5(4)
C6A C1A C2A C3A 1.3(6)
P1 C1A C2A C3A 178.4(3)
C1A C2A C3A C4A -0.6(7)
C2A C3A C4A C5A 0.2(7)
C3A C4A C5A C6A -0.6(7)
C4A C5A C6A C1A 1.3(7)
C2A C1A C6A C5A -1.6(6)
P1 C1A C6A C5A -178.7(3)
C1A P1 C1B C6B 148.7(4)
C1C P1 C1B C6B 45.6(5)
C1A P1 C1B C2B -41.9(4)
C1C P1 C1B C2B -145.1(4)
C6B C1B C2B C3B -1.9(7)
P1 C1B C2B C3B -171.6(4)
C1B C2B C3B C4B 0.4(8)
C2B C3B C4B C5B 0.9(8)
C3B C4B C5B C6B -0.8(8)
C2B C1B C6B C5B 2.0(8)
P1 C1B C6B C5B 171.5(4)
C4B C5B C6B C1B -0.7(8)
C1B P1 C1C C2C -157.0(4)
C1A P1 C1C C2C 97.0(4)
C1B P1 C1C C6C 30.3(5)
C1A P1 C1C C6C -75.7(5)
C6C C1C C2C C3C -0.1(8)
P1 C1C C2C C3C -172.9(4)
C1C C2C C3C C4C 0.6(8)
C2C C3C C4C C5C -1.1(9)
C3C C4C C5C C6C 1.0(9)
C4C C5C C6C C1C -0.5(9)
C2C C1C C6C C5C 0.0(8)
P1 C1C C6C C5C 172.7(4)
C1F P2 C1D C2D -13.4(4)
C1E P2 C1D C2D 93.1(4)
C1F P2 C1D C6D 171.3(3)
C1E P2 C1D C6D -82.2(4)
C6D C1D C2D C3D -0.4(6)
P2 C1D C2D C3D -175.7(3)
C1D C2D C3D C4D -0.7(7)
C2D C3D C4D C5D 0.9(7)
C3D C4D C5D C6D 0.1(7)
C4D C5D C6D C1D -1.4(7)
C2D C1D C6D C5D 1.5(6)
P2 C1D C6D C5D 177.0(3)
C1F P2 C1E C6E 74.9(4)
C1D P2 C1E C6E -32.8(4)
C1F P2 C1E C2E -109.6(4)
C1D P2 C1E C2E 142.6(4)
C6E C1E C2E C3E -0.3(7)
P2 C1E C2E C3E -175.9(3)
C1E C2E C3E C4E 1.3(7)
C2E C3E C4E C5E -1.7(7)
C3E C4E C5E C6E 1.3(7)
C4E C5E C6E C1E -0.3(7)
C2E C1E C6E C5E -0.2(7)
P2 C1E C6E C5E 175.4(4)
C1D P2 C1F C2F 132.0(4)
C1E P2 C1F C2F 28.9(5)
C1D P2 C1F C6F -56.6(4)
C1E P2 C1F C6F -159.8(4)
C6F C1F C2F C3F -2.2(8)
P2 C1F C2F C3F 169.2(4)
C1F C2F C3F C4F 1.9(8)
C2F C3F C4F C5F -0.8(9)
C3F C4F C5F C6F 0.0(9)
C4F C5F C6F C1F -0.3(8)
C2F C1F C6F C5F 1.4(8)
P2 C1F C6F C5F -170.3(4)
C1H P3 C1G C2G -24.9(4)
C1I P3 C1G C2G -134.9(4)
C1H P3 C1G C6G 162.8(4)
C1I P3 C1G C6G 52.9(4)
C6G C1G C2G C3G -0.2(7)
P3 C1G C2G C3G -172.4(4)
C1G C2G C3G C4G -0.2(7)
C2G C3G C4G C5G -0.1(8)
C3G C4G C5G C6G 0.8(8)
C4G C5G C6G C1G -1.2(7)
C2G C1G C6G C5G 0.9(7)
P3 C1G C6G C5G 173.5(4)
C1G P3 C1H C2H -54.1(4)
C1I P3 C1H C2H 55.6(4)
C1G P3 C1H C6H 129.3(4)
C1I P3 C1H C6H -120.9(4)
C6H C1H C2H C3H 0.2(7)
P3 C1H C2H C3H -176.4(4)
C1H C2H C3H C4H -0.4(7)
C2H C3H C4H C5H 0.1(8)
C3H C4H C5H C6H 0.3(8)
C2H C1H C6H C5H 0.2(8)
P3 C1H C6H C5H 176.9(4)
C4H C5H C6H C1H -0.5(8)
C1G P3 C1I C6I 20.4(4)
C1H P3 C1I C6I -90.3(4)
C1G P3 C1I C2I -156.8(4)
C1H P3 C1I C2I 92.5(4)
C6I C1I C2I C3I 0.0(7)
P3 C1I C2I C3I 177.4(4)
C1I C2I C3I C4I -2.1(8)
C2I C3I C4I C5I 1.8(8)
C3I C4I C5I C6I 0.6(8)
C4I C5I C6I C1I -2.7(8)
C2I C1I C6I C5I 2.3(7)
P3 C1I C6I C5I -174.8(4)
