#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/22/2012225.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2012225
loop_
_publ_author_name
'Flörke, Ulrich'
'Petters, Dina'
_publ_section_title
;The first example of a silver--manganese--rhenium cluster complex:
 heptacarbonyl-1κ³C,2κ⁴C-μ-dicyclohexylphosphido-1:2κ²P-bis(triphenylphosphine)-1κP,3κP-triangulo-manganeserheniumsilver
 with disordered solvent
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1044
_journal_page_last               1045
_journal_paper_doi               10.1107/S0108270101009696
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[ReMnAg(C12 H22 P)(C18 H15 P)2 (CO)7 ]'
_chemical_formula_moiety         'C55 H52 Ag Mn O7 P3 Re'
_chemical_formula_sum            'C55 H52 Ag Mn O7 P3 Re'
_chemical_formula_weight         1266.89
_chemical_name_systematic
;
 (μ-dicyclohexylphosphine)-heptacarbonyl-eq-triphenylphosphine-
 triphenylphosphine-silver-manganese-rhenium
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.700(10)
_cell_angle_beta                 98.760(10)
_cell_angle_gamma                113.200(10)
_cell_formula_units_Z            2
_cell_length_a                   11.5830(10)
_cell_length_b                   12.842(2)
_cell_length_c                   20.728(3)
_cell_measurement_reflns_used    31
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.505
_cell_measurement_theta_min      7.401
_cell_volume                     2747.4(7)
_computing_cell_refinement       'XSCANS (Bruker, 1996)'
_computing_data_collection       'XSCANS (Bruker, 1996)'
_computing_data_reduction        'SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .995
_diffrn_measured_fraction_theta_max .995
_diffrn_measurement_device       'Bruker P4'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0219
_diffrn_reflns_av_sigmaI/netI    .0597
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            14452
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 397
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.912
_exptl_absorpt_correction_T_max  .844
_exptl_absorpt_correction_T_min  .508
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1260
_exptl_crystal_size_max          .42
_exptl_crystal_size_mid          .22
_exptl_crystal_size_min          .08
_refine_diff_density_max         .740
_refine_diff_density_min         -.924
_refine_ls_extinction_coef       .00034(7)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   .893
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         12576
_refine_ls_number_restraints     949
_refine_ls_restrained_S_all      .866
_refine_ls_R_factor_all          .0671
_refine_ls_R_factor_gt           .0383
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0436P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0866
_reflns_number_gt                8862
_reflns_number_total             12576
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sk1486.cif
_cod_data_source_block           I
_cod_original_cell_volume        2747.4(6)
_cod_database_code               2012225
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Re1 .811522(17) .840472(15) .283679(9) .03726(6) Uani d U 1 . . Re
Ag1 .66809(3) .59741(3) .240465(17) .04515(9) Uani d U 1 . . Ag
Mn1 .74397(7) .70008(6) .13642(3) .04315(17) Uani d U 1 . . Mn
P1 .90972(11) .87641(10) .18973(6) .0396(3) Uani d U 1 . . P
P2 .67777(12) .78113(10) .36323(6) .0429(3) Uani d U 1 . . P
P3 .59006(12) .39360(10) .25281(6) .0450(3) Uani d U 1 . . P
O1 .9897(3) 1.0594(3) .38495(18) .0694(10) Uani d U 1 . . O
C1 .9217(4) .9765(4) .3462(2) .0458(10) Uani d U 1 . . C
O2 1.0004(3) .7312(3) .32825(17) .0591(9) Uani d U 1 . . O
C2 .9272(4) .7669(4) .3115(2) .0439(10) Uani d U 1 . . C
O3 .6456(4) .9674(3) .2350(2) .0751(11) Uani d U 1 . . O
C3 .7035(4) .9170(4) .2514(2) .0489(11) Uani d U 1 . . C
O4 .8088(5) .7159(4) .0055(2) .0941(14) Uani d U 1 . . O
C4 .7847(5) .7105(4) .0572(3) .0616(13) Uani d U 1 . . C
O5 .5562(4) .8015(4) .1077(2) .0940(14) Uani d U 1 . . O
C5 .6314(5) .7657(5) .1211(2) .0584(12) Uani d U 1 . . C
O6 .9103(4) .5787(3) .1726(2) .0776(11) Uani d U 1 . . O
C6 .8473(5) .6271(4) .1602(3) .0576(12) Uani d U 1 . . C
O7 .5176(5) .4791(4) .0779(2) .1052(17) Uani d U 1 . . O
C7 .6048(6) .5623(5) .1046(3) .0708(15) Uani d U 1 . . C
C11 .9160(6) 1.0062(4) .1557(2) .0628(14) Uani d U 1 . . C
H11 .8289 .9987 .1571 .075 Uiso calc R 1 . . H
C12 .9918(6) 1.1195(4) .2028(3) .0651(15) Uani d U 1 . . C
H12A 1.0819 1.1336 .2120 .078 Uiso calc R 1 . . H
H12B .9634 1.1149 .2445 .078 Uiso calc R 1 . . H
C13 .9785(9) 1.2206(5) .1761(3) .120(3) Uani d U 1 . . C
H13A .9010 1.2244 .1862 .145 Uiso calc R 1 . . H
H13B 1.0505 1.2908 .2009 .145 Uiso calc R 1 . . H
C14 .9730(9) 1.2217(6) .1091(3) .130(3) Uani d U 1 . . C
H14A 1.0600 1.2489 .1018 .156 Uiso calc R 1 . . H
H14B .9398 1.2772 .0974 .156 Uiso calc R 1 . . H
C15 .8938(8) 1.1101(5) .0634(3) .096(2) Uani d U 1 . . C
H15A .9157 1.1145 .0201 .115 Uiso calc R 1 . . H
H15B .8038 1.0958 .0579 .115 Uiso calc R 1 . . H
C16 .9124(10) 1.0096(6) .0880(3) .131(3) Uani d U 1 . . C
H16A .8432 .9385 .0622 .157 Uiso calc R 1 . . H
H16B .9922 1.0106 .0785 .157 Uiso calc R 1 . . H
C21 1.0728(4) .8798(4) .2004(2) .0494(11) Uani d U 1 . . C
H21 1.0620 .8065 .2141 .059 Uiso calc R 1 . . H
C22 1.1764(5) .9717(5) .2575(3) .0704(15) Uani d U 1 . . C
H22A 1.1995 1.0476 .2464 .084 Uiso calc R 1 . . H
H22B 1.1432 .9713 .2978 .084 Uiso calc R 1 . . H
C23 1.2937(5) .9463(5) .2691(4) .0901(19) Uani d U 1 . . C
H23A 1.2719 .8743 .2850 .108 Uiso calc R 1 . . H
H23B 1.3605 1.0071 .3034 .108 Uiso calc R 1 . . H
C24 1.3456(6) .9374(7) .2060(5) .113(3) Uani d U 1 . . C
H24A 1.3784 1.0125 .1935 .136 Uiso calc R 1 . . H
H24B 1.4164 .9152 .2150 .136 Uiso calc R 1 . . H
C25 1.2460(7) .8529(7) .1504(4) .103(2) Uani d U 1 . . C
H25A 1.2233 .7760 .1600 .124 Uiso calc R 1 . . H
H25B 1.2804 .8557 .1105 .124 Uiso calc R 1 . . H
C26 1.1247(5) .8750(6) .1376(3) .0780(17) Uani d U 1 . . C
H26A 1.1447 .9475 .1224 .094 Uiso calc R 1 . . H
H26B 1.0595 .8138 .1028 .094 Uiso calc R 1 . . H
C31 .6900(5) .9056(4) .4233(2) .0522(11) Uani d U 1 . . C
C32 .7660(5) .9399(5) .4867(3) .0671(14) Uani d U 1 . . C
H32 .8112 .8979 .5007 .081 Uiso calc R 1 . . H
C33 .7764(7) 1.0360(6) .5300(3) .092(2) Uani d U 1 . . C
H33 .8262 1.0567 .5730 .110 Uiso calc R 1 . . H
C34 .7127(8) 1.0998(6) .5087(4) .107(2) Uani d U 1 . . C
H34 .7210 1.1655 .5369 .128 Uiso calc R 1 . . H
C35 .6354(8) 1.0666(6) .4449(4) .105(2) Uani d U 1 . . C
H35 .5902 1.1087 .4308 .126 Uiso calc R 1 . . H
C36 .6261(7) .9707(5) .4026(3) .0817(18) Uani d U 1 . . C
H36 .5762 .9498 .3596 .098 Uiso calc R 1 . . H
C41 .5009(4) .7103(4) .3354(2) .0489(11) Uani d U 1 . . C
C42 .4427(5) .6770(4) .2689(3) .0553(12) Uani d U 1 . . C
H42 .4931 .6875 .2372 .066 Uiso calc R 1 . . H
C43 .3088(5) .6277(5) .2482(3) .0699(15) Uani d U 1 . . C
H43 .2704 .6051 .2031 .084 Uiso calc R 1 . . H
C44 .2350(5) .6129(5) .2944(4) .0787(17) Uani d U 1 . . C
H44 .1458 .5799 .2808 .094 Uiso calc R 1 . . H
C45 .2909(6) .6462(5) .3606(4) .0802(17) Uani d U 1 . . C
H45 .2393 .6358 .3917 .096 Uiso calc R 1 . . H
C46 .4228(5) .6950(5) .3820(3) .0673(14) Uani d U 1 . . C
H46 .4599 .7178 .4273 .081 Uiso calc R 1 . . H
C51 .7194(5) .6917(4) .4173(2) .0477(11) Uani d U 1 . . C
C52 .6295(6) .5878(4) .4277(2) .0593(13) Uani d U 1 . . C
H52 .5426 .5621 .4085 .071 Uiso calc R 1 . . H
C53 .6712(7) .5228(5) .4670(3) .0749(16) Uani d U 1 . . C
H53 .6117 .4537 .4741 .090 Uiso calc R 1 . . H
C54 .7980(7) .5598(6) .4949(3) .0835(18) Uani d U 1 . . C
H54 .8246 .5154 .5206 .100 Uiso calc R 1 . . H
C55 .8869(6) .6620(5) .4855(3) .0713(15) Uani d U 1 . . C
H55 .9733 .6869 .5053 .086 Uiso calc R 1 . . H
C56 .8490(5) .7281(5) .4469(2) .0578(12) Uani d U 1 . . C
H56 .9099 .7971 .4405 .069 Uiso calc R 1 . . H
C61 .7215(4) .3638(4) .2930(2) .0458(10) Uani d U 1 . . C
C62 .8288(5) .4536(4) .3321(3) .0619(13) Uani d U 1 . . C
H62 .8323 .5278 .3374 .074 Uiso calc R 1 . . H
C63 .9312(5) .4366(6) .3636(3) .0774(17) Uani d U 1 . . C
H63 1.0036 .4990 .3894 .093 Uiso calc R 1 . . H
C64 .9267(6) .3274(6) .3571(3) .0740(16) Uani d U 1 . . C
H64 .9962 .3156 .3780 .089 Uiso calc R 1 . . H
C65 .8192(6) .2361(5) .3197(3) .0735(16) Uani d U 1 . . C
H65 .8151 .1618 .3164 .088 Uiso calc R 1 . . H
C66 .7168(5) .2527(4) .2869(3) .0647(14) Uani d U 1 . . C
H66 .6449 .1902 .2609 .078 Uiso calc R 1 . . H
C71 .5289(5) .2922(4) .1738(2) .0492(11) Uani d U 1 . . C
C72 .6139(6) .2828(5) .1365(3) .0769(17) Uani d U 1 . . C
H72 .7017 .3257 .1532 .092 Uiso calc R 1 . . H
C73 .5717(8) .2108(6) .0747(3) .098(2) Uani d U 1 . . C
H73 .6305 .2051 .0501 .118 Uiso calc R 1 . . H
C74 .4420(8) .1479(6) .0500(3) .096(2) Uani d U 1 . . C
H74 .4126 .0981 .0089 .116 Uiso calc R 1 . . H
C75 .3569(7) .1581(6) .0854(3) .090(2) Uani d U 1 . . C
H75 .2691 .1165 .0681 .108 Uiso calc R 1 . . H
C76 .3996(6) .2300(5) .1472(3) .0692(15) Uani d U 1 . . C
H76 .3401 .2363 .1710 .083 Uiso calc R 1 . . H
C81 .4651(5) .3408(4) .2999(2) .0502(11) Uani d U 1 . . C
C82 .4682(5) .2709(4) .3452(3) .0635(14) Uani d U 1 . . C
H82 .5340 .2463 .3513 .076 Uiso calc R 1 . . H
C83 .3733(6) .2372(5) .3817(3) .0835(18) Uani d U 1 . . C
H83 .3762 .1901 .4122 .100 Uiso calc R 1 . . H
C84 .2766(6) .2717(5) .3738(3) .0850(18) Uani d U 1 . . C
H84 .2133 .2483 .3984 .102 Uiso calc R 1 . . H
C85 .2726(6) .3415(5) .3290(4) .0825(18) Uani d U 1 . . C
H85 .2064 .3655 .3232 .099 Uiso calc R 1 . . H
C86 .3673(5) .3766(4) .2921(3) .0659(14) Uani d U 1 . . C
H86 .3645 .4244 .2620 .079 Uiso calc R 1 . . H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn .3368 .7283 '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'
Ag Ag -.8971 1.1015 '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_publ_flag
C1 Re1 C3 90.2(2) ?
C1 Re1 C2 89.88(19) ?
C3 Re1 C2 176.10(18) ?
C1 Re1 P1 100.12(14) ?
C3 Re1 P1 88.51(14) ?
C2 Re1 P1 87.63(13) ?
C1 Re1 P2 89.50(14) ?
C3 Re1 P2 87.33(14) ?
C2 Re1 P2 96.57(13) ?
P1 Re1 P2 169.54(4) y
C1 Re1 Ag1 154.68(14) ?
C3 Re1 Ag1 108.42(14) ?
C2 Re1 Ag1 72.69(13) ?
P1 Re1 Ag1 97.42(3) y
P2 Re1 Ag1 74.86(3) y
C1 Re1 Mn1 146.81(14) ?
C3 Re1 Mn1 88.07(14) ?
C2 Re1 Mn1 89.72(13) ?
P1 Re1 Mn1 46.71(3) y
P2 Re1 Mn1 123.50(3) y
Ag1 Re1 Mn1 53.757(17) y
P3 Ag1 Mn1 131.20(4) y
P3 Ag1 Re1 155.10(3) y
Mn1 Ag1 Re1 69.16(2) y
C4 Mn1 C5 93.6(2) ?
C4 Mn1 C7 93.2(2) ?
C5 Mn1 C7 85.9(2) ?
C4 Mn1 C6 93.2(2) ?
C5 Mn1 C6 172.8(2) ?
C7 Mn1 C6 91.5(2) ?
C4 Mn1 P1 94.31(17) ?
C5 Mn1 P1 91.81(17) ?
C7 Mn1 P1 172.2(2) ?
C6 Mn1 P1 89.93(16) ?
C4 Mn1 Ag1 157.40(17) ?
C5 Mn1 Ag1 100.55(16) ?
C7 Mn1 Ag1 70.56(17) ?
C6 Mn1 Ag1 72.29(16) ?
P1 Mn1 Ag1 102.66(4) y
C4 Mn1 Re1 142.87(17) ?
C5 Mn1 Re1 83.99(16) ?
C7 Mn1 Re1 123.39(19) ?
C6 Mn1 Re1 91.94(16) ?
P1 Mn1 Re1 48.92(3) y
Ag1 Mn1 Re1 57.086(18) y
C21 P1 C11 107.3(2) ?
C21 P1 Mn1 114.87(16) ?
C11 P1 Mn1 117.16(17) ?
C21 P1 Re1 115.21(16) ?
C11 P1 Re1 116.90(19) ?
Mn1 P1 Re1 84.37(4) y
C51 P2 C41 105.5(2) ?
C51 P2 C31 103.1(2) ?
C41 P2 C31 98.1(2) ?
C51 P2 Re1 115.10(16) ?
C41 P2 Re1 120.26(16) ?
C31 P2 Re1 112.26(15) ?
C71 P3 C61 103.1(2) ?
C71 P3 C81 105.0(2) ?
C61 P3 C81 105.3(2) ?
C71 P3 Ag1 113.35(15) ?
C61 P3 Ag1 110.78(15) ?
C81 P3 Ag1 117.96(15) ?
O1 C1 Re1 179.3(5) ?
O2 C2 Re1 175.6(4) ?
O3 C3 Re1 176.0(5) ?
O4 C4 Mn1 178.8(6) ?
O5 C5 Mn1 175.5(5) ?
O6 C6 Mn1 177.4(5) ?
O7 C7 Mn1 172.6(5) ?
C16 C11 C12 115.6(5) ?
C16 C11 P1 121.7(4) ?
C12 C11 P1 115.3(3) ?
C16 C11 H11 99.1 ?
C12 C11 H11 99.1 ?
P1 C11 H11 99.1 ?
C11 C12 C13 113.2(5) ?
C11 C12 H12A 108.9 ?
C13 C12 H12A 108.9 ?
C11 C12 H12B 108.9 ?
C13 C12 H12B 108.9 ?
H12A C12 H12B 107.8 ?
C14 C13 C12 118.4(6) ?
C14 C13 H13A 107.7 ?
C12 C13 H13A 107.7 ?
C14 C13 H13B 107.7 ?
C12 C13 H13B 107.7 ?
H13A C13 H13B 107.1 ?
C13 C14 C15 115.8(6) ?
C13 C14 H14A 108.3 ?
C15 C14 H14A 108.3 ?
C13 C14 H14B 108.3 ?
C15 C14 H14B 108.3 ?
H14A C14 H14B 107.4 ?
C14 C15 C16 112.8(6) ?
C14 C15 H15A 109.0 ?
C16 C15 H15A 109.0 ?
C14 C15 H15B 109.0 ?
C16 C15 H15B 109.0 ?
H15A C15 H15B 107.8 ?
C11 C16 C15 117.1(6) ?
C11 C16 H16A 108.0 ?
C15 C16 H16A 108.0 ?
C11 C16 H16B 108.0 ?
C15 C16 H16B 108.0 ?
H16A C16 H16B 107.3 ?
C26 C21 C22 110.7(4) ?
C26 C21 P1 116.2(4) ?
C22 C21 P1 116.4(3) ?
C26 C21 H21 103.9 ?
C22 C21 H21 103.9 ?
P1 C21 H21 103.9 ?
C23 C22 C21 109.6(5) ?
C23 C22 H22A 109.8 ?
C21 C22 H22A 109.8 ?
C23 C22 H22B 109.8 ?
C21 C22 H22B 109.8 ?
H22A C22 H22B 108.2 ?
C22 C23 C24 112.4(6) ?
C22 C23 H23A 109.1 ?
C24 C23 H23A 109.1 ?
C22 C23 H23B 109.1 ?
C24 C23 H23B 109.1 ?
H23A C23 H23B 107.9 ?
C25 C24 C23 111.9(6) ?
C25 C24 H24A 109.2 ?
C23 C24 H24A 109.2 ?
C25 C24 H24B 109.2 ?
C23 C24 H24B 109.2 ?
H24A C24 H24B 107.9 ?
C24 C25 C26 112.4(6) ?
C24 C25 H25A 109.1 ?
C26 C25 H25A 109.1 ?
C24 C25 H25B 109.1 ?
C26 C25 H25B 109.1 ?
H25A C25 H25B 107.8 ?
C21 C26 C25 110.9(5) ?
C21 C26 H26A 109.5 ?
C25 C26 H26A 109.5 ?
C21 C26 H26B 109.5 ?
C25 C26 H26B 109.5 ?
H26A C26 H26B 108.0 ?
C32 C31 C36 118.6(5) ?
C32 C31 P2 122.7(4) ?
C36 C31 P2 118.6(4) ?
C31 C32 C33 121.5(6) ?
C31 C32 H32 119.3 ?
C33 C32 H32 119.3 ?
C34 C33 C32 119.3(7) ?
C34 C33 H33 120.4 ?
C32 C33 H33 120.4 ?
C33 C34 C35 120.1(6) ?
C33 C34 H34 120.0 ?
C35 C34 H34 120.0 ?
C36 C35 C34 119.7(7) ?
C36 C35 H35 120.1 ?
C34 C35 H35 120.1 ?
C31 C36 C35 120.8(6) ?
C31 C36 H36 119.6 ?
C35 C36 H36 119.6 ?
C42 C41 C46 118.4(5) ?
C42 C41 P2 121.2(4) ?
C46 C41 P2 120.3(4) ?
C41 C42 C43 120.9(5) ?
C41 C42 H42 119.6 ?
C43 C42 H42 119.6 ?
C44 C43 C42 119.6(6) ?
C44 C43 H43 120.2 ?
C42 C43 H43 120.2 ?
C43 C44 C45 120.4(6) ?
C43 C44 H44 119.8 ?
C45 C44 H44 119.8 ?
C44 C45 C46 120.9(6) ?
C44 C45 H45 119.6 ?
C46 C45 H45 119.6 ?
C45 C46 C41 119.8(6) ?
C45 C46 H46 120.1 ?
C41 C46 H46 120.1 ?
C56 C51 C52 118.9(5) ?
C56 C51 P2 117.5(4) ?
C52 C51 P2 123.5(4) ?
C51 C52 C53 119.4(5) ?
C51 C52 H52 120.3 ?
C53 C52 H52 120.3 ?
C54 C53 C52 120.5(6) ?
C54 C53 H53 119.7 ?
C52 C53 H53 119.7 ?
C53 C54 C55 120.6(6) ?
C53 C54 H54 119.7 ?
C55 C54 H54 119.7 ?
C54 C55 C56 120.3(6) ?
C54 C55 H55 119.8 ?
C56 C55 H55 119.8 ?
C55 C56 C51 120.2(5) ?
C55 C56 H56 119.9 ?
C51 C56 H56 119.9 ?
C62 C61 C66 118.3(5) ?
C62 C61 P3 118.8(4) ?
C66 C61 P3 122.8(4) ?
C61 C62 C63 121.5(5) ?
C61 C62 H62 119.2 ?
C63 C62 H62 119.2 ?
C64 C63 C62 119.9(5) ?
C64 C63 H63 120.0 ?
C62 C63 H63 120.0 ?
C65 C64 C63 119.6(5) ?
C65 C64 H64 120.2 ?
C63 C64 H64 120.2 ?
C64 C65 C66 120.9(6) ?
C64 C65 H65 119.6 ?
C66 C65 H65 119.6 ?
C65 C66 C61 119.8(5) ?
C65 C66 H66 120.1 ?
C61 C66 H66 120.1 ?
C72 C71 C76 118.0(5) ?
C72 C71 P3 119.2(4) ?
C76 C71 P3 122.6(4) ?
C71 C72 C73 121.4(6) ?
C71 C72 H72 119.3 ?
C73 C72 H72 119.3 ?
C74 C73 C72 119.1(7) ?
C74 C73 H73 120.4 ?
C72 C73 H73 120.4 ?
C75 C74 C73 120.2(6) ?
C75 C74 H74 119.9 ?
C73 C74 H74 119.9 ?
C74 C75 C76 120.4(6) ?
C74 C75 H75 119.8 ?
C76 C75 H75 119.8 ?
C71 C76 C75 120.8(6) ?
C71 C76 H76 119.6 ?
C75 C76 H76 119.6 ?
C86 C81 C82 118.9(5) ?
C86 C81 P3 118.5(4) ?
C82 C81 P3 122.5(4) ?
C81 C82 C83 120.0(6) ?
C81 C82 H82 120.0 ?
C83 C82 H82 120.0 ?
C84 C83 C82 121.1(6) ?
C84 C83 H83 119.4 ?
C82 C83 H83 119.4 ?
C83 C84 C85 119.4(6) ?
C83 C84 H84 120.3 ?
C85 C84 H84 120.3 ?
C84 C85 C86 120.3(6) ?
C84 C85 H85 119.8 ?
C86 C85 H85 119.9 ?
C81 C86 C85 120.3(6) ?
C81 C86 H86 119.9 ?
C85 C86 H86 119.9 ?
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
Re1 C1 . 1.890(5) ?
Re1 C3 . 1.961(5) ?
Re1 C2 . 1.978(5) ?
Re1 P1 . 2.4020(12) y
Re1 P2 . 2.4168(12) y
Re1 Ag1 . 2.8485(6) y
Re1 Mn1 . 3.1712(8) y
Ag1 P3 . 2.4688(12) y
Ag1 Mn1 . 2.7367(8) y
Mn1 C4 . 1.781(5) ?
Mn1 C5 . 1.820(6) ?
Mn1 C7 . 1.822(6) ?
Mn1 C6 . 1.835(6) ?
Mn1 P1 . 2.3193(14) y
P1 C21 . 1.851(5) ?
P1 C11 . 1.864(5) ?
P2 C51 . 1.838(5) ?
P2 C41 . 1.845(5) ?
P2 C31 . 1.852(5) ?
P3 C71 . 1.817(5) ?
P3 C61 . 1.817(5) ?
P3 C81 . 1.821(5) ?
O1 C1 . 1.160(5) ?
O2 C2 . 1.142(5) ?
O3 C3 . 1.144(5) ?
O4 C4 . 1.152(6) ?
O5 C5 . 1.148(6) ?
O6 C6 . 1.150(6) ?
O7 C7 . 1.144(6) ?
C11 C16 . 1.405(7) ?
C11 C12 . 1.497(7) ?
C11 H11 . .9800 ?
C12 C13 . 1.523(7) ?
C12 H12A . .9700 ?
C12 H12B . .9700 ?
C13 C14 . 1.384(8) ?
C13 H13A . .9700 ?
C13 H13B . .9700 ?
C14 C15 . 1.475(9) ?
C14 H14A . .9700 ?
C14 H14B . .9700 ?
C15 C16 . 1.519(8) ?
C15 H15A . .9700 ?
C15 H15B . .9700 ?
C16 H16A . .9700 ?
C16 H16B . .9700 ?
C21 C26 . 1.521(7) ?
C21 C22 . 1.536(7) ?
C21 H21 . .9800 ?
C22 C23 . 1.509(7) ?
C22 H22A . .9700 ?
C22 H22B . .9700 ?
C23 C24 . 1.531(9) ?
C23 H23A . .9700 ?
C23 H23B . .9700 ?
C24 C25 . 1.468(10) ?
C24 H24A . .9700 ?
C24 H24B . .9700 ?
C25 C26 . 1.530(8) ?
C25 H25A . .9700 ?
C25 H25B . .9700 ?
C26 H26A . .9700 ?
C26 H26B . .9700 ?
C31 C32 . 1.379(7) ?
C31 C36 . 1.380(7) ?
C32 C33 . 1.391(8) ?
C32 H32 . .9300 ?
C33 C34 . 1.369(9) ?
C33 H33 . .9300 ?
C34 C35 . 1.393(10) ?
C34 H34 . .9300 ?
C35 C36 . 1.383(8) ?
C35 H35 . .9300 ?
C36 H36 . .9300 ?
C41 C42 . 1.375(7) ?
C41 C46 . 1.401(7) ?
C42 C43 . 1.396(7) ?
C42 H42 . .9300 ?
C43 C44 . 1.360(8) ?
C43 H43 . .9300 ?
C44 C45 . 1.364(8) ?
C44 H44 . .9300 ?
C45 C46 . 1.378(7) ?
C45 H45 . .9300 ?
C46 H46 . .9300 ?
C51 C56 . 1.395(7) ?
C51 C52 . 1.397(6) ?
C52 C53 . 1.397(7) ?
C52 H52 . .9300 ?
C53 C54 . 1.358(8) ?
C53 H53 . .9300 ?
C54 C55 . 1.370(8) ?
C54 H54 . .9300 ?
C55 C56 . 1.378(7) ?
C55 H55 . .9300 ?
C56 H56 . .9300 ?
C61 C62 . 1.371(6) ?
C61 C66 . 1.397(6) ?
C62 C63 . 1.373(7) ?
C62 H62 . .9300 ?
C63 C64 . 1.372(8) ?
C63 H63 . .9300 ?
C64 C65 . 1.367(8) ?
C64 H64 . .9300 ?
C65 C66 . 1.379(7) ?
C65 H65 . .9300 ?
C66 H66 . .9300 ?
C71 C72 . 1.373(7) ?
C71 C76 . 1.374(7) ?
C72 C73 . 1.383(8) ?
C72 H72 . .9300 ?
C73 C74 . 1.373(9) ?
C73 H73 . .9300 ?
C74 C75 . 1.352(9) ?
C74 H74 . .9300 ?
C75 C76 . 1.381(8) ?
C75 H75 . .9300 ?
C76 H76 . .9300 ?
C81 C86 . 1.376(7) ?
C81 C82 . 1.380(7) ?
C82 C83 . 1.387(7) ?
C82 H82 . .9300 ?
C83 C84 . 1.353(9) ?
C83 H83 . .9300 ?
C84 C85 . 1.372(9) ?
C84 H84 . .9300 ?
C85 C86 . 1.391(8) ?
C85 H85 . .9300 ?
C86 H86 . .9300 ?
