#------------------------------------------------------------------------------
#$Date: 2016-10-08 01:16:38 +0300 (Sat, 08 Oct 2016) $
#$Revision: 187114 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/02/7040259.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_7040259
loop_
_publ_author_name
'Nair, Ashwin G.'
'McBurney, Roy T.'
'Walker, D. Barney'
'Page, Michael J.'
'Gatus, Mark R. D.'
'Bhadbhade, Mohan'
'Messerle, Barbara A.'
_publ_section_title
;
 Ruthenium(ii) complexes of hemilabile pincer ligands: synthesis and
 catalysing the transfer hydrogenation of ketones.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14335
_journal_page_last               14342
_journal_paper_doi               10.1039/c6dt02459a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety
'2(C22 H24 Ag N12), C22 H23 Ag N12, 3(C24 H20 B)'
_chemical_formula_sum            'C138 H131 Ag3 B3 N36'
_chemical_formula_weight         2649.82
_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_date             2015-02-26
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2016-05-20 deposited with the CCDC.
2016-08-10 downloaded from the CCDC.
;
_cell_angle_alpha                99.448(2)
_cell_angle_beta                 99.315(2)
_cell_angle_gamma                106.299(2)
_cell_formula_units_Z            2
_cell_length_a                   14.4586(6)
_cell_length_b                   19.1802(7)
_cell_length_c                   24.5632(10)
_cell_measurement_reflns_used    8293
_cell_measurement_temperature    149.99
_cell_measurement_theta_max      22.384
_cell_measurement_theta_min      2.509
_cell_volume                     6291.9(4)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      149.99
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0820
_diffrn_reflns_av_unetI/netI     0.0841
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            87774
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.713
_diffrn_reflns_theta_max         24.713
_diffrn_reflns_theta_min         1.134
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.530
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6919
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1562 before and 0.0674 after correction.
The Ratio of minimum to maximum transmission is 0.9281.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_description       plate
_exptl_crystal_F_000             2734
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.701
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1624
_refine_ls_number_reflns         21420
_refine_ls_number_restraints     482
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.0916
_refine_ls_R_factor_gt           0.0469
_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)+(0.0438P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0963
_refine_ls_wR_factor_ref         0.1165
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13558
_reflns_number_total             21420
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt02459a2.cif
_cod_data_source_block           Compound_2
_cod_depositor_comments
'Adding full bibliography for 7040259--7040264.cif.'
_cod_database_code               7040259
_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.
;
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H1A1(0.051) H1A2(0.063) H1C1(0.085) H1C2(0.057) H1PA(0.042)
 H1PB(0.042) H1PC(0.043) H1PD(0.043) H2A1(0.055) H2A2(0.085) H2B1(0.036)
 H2B2(0.037) H2C1(0.084) H2C2(0.068) H2PA(0.036) H2PB(0.036) H2PC(0.039)
 H2PD(0.039) H3A1(0.043) H3A2(0.065) H3B1(0.033) H3B2(0.035) H3C1(0.069)
 H3C2(0.056) H1A5(0.06) H1C5(0.112) H1RA(0.049) H1RB(0.049) H2A5(0.051)
 H2B5(0.063) H2C5(0.11) H2RA(0.054) H2RB(0.054) H3A5(0.044) H3B5(0.073)
 H3C5(0.082) H1A3(0.049) H1A4(0.052) H1C3(0.097) H1C4(0.103) H1Q(0.04)
 H1QA(0.04) H1QB(0.04) H2A3(0.052) H2A4(0.058) H2B3(0.048) H2B4(0.048)
 H2C3(0.084) H2C4(0.107) H2QA(0.036) H2QB(0.036) H2QC(0.045) H2QD(0.045)
 H3A3(0.047) H3A4(0.054) H3B3(0.043) H3B4(0.048) H3C3(0.063) H3C4(0.073)
 H1A6(0.043) H1C6(0.064) H1SA(0.039) H1SB(0.039) H2A6(0.051) H2B6(0.036)
 H2C6(0.067) H2SA(0.036) H2SB(0.036) H3A6(0.044) H3B6(0.036) H3C6(0.053)
 H12M(0.028) H13M(0.034) H14M(0.039) H15M(0.037) H16M(0.027) H22M(0.041)
 H23M(0.064) H24M(0.078) H25M(0.075) H26M(0.047) H32M(0.037) H33M(0.045)
 H34M(0.04) H35M(0.038) H36M(0.029) H42M(0.032) H43M(0.039) H44M(0.042)
 H45M(0.043) H46M(0.035) H12O(0.038) H13O(0.055) H14O(0.067) H15O(0.056)
 H16O(0.034) H22O(0.034) H23O(0.042) H24O(0.043) H25O(0.035) H26O(0.029)
 H32O(0.028) H33O(0.032) H34O(0.035) H35O(0.034) H36O(0.03) H42O(0.031)
 H43O(0.038) H44O(0.039) H45O(0.034) H46O(0.03) H12N(0.032) H13N(0.036)
 H14N(0.04) H15N(0.037) H16N(0.033) H22N(0.038) H23N(0.052) H24N(0.061)
 H25N(0.053) H26N(0.04) H32N(0.038) H33N(0.045) H34N(0.045) H35N(0.038)
 H36N(0.031) H42N(0.028) H43N(0.035) H44N(0.039) H45N(0.037) H46N(0.03)
 Fixed X: H1A1(-0.0787) H1A2(0.3945) H1C1(0.1033) H1C2(0.2847) H1PA(0.2461)
 H1PB(0.2464) H1PC(0.0746) H1PD(0.0382) H2A1(-0.1024) H2A2(0.3491) H2B1(0.3075)
 H2B2(0.0465) H2C1(-0.0135) H2C2(0.3749) H2PA(0.2675) H2PB(0.3381) H2PC(0.0159)
 H2PD(0.0703) H3A1(0.065) H3A2(0.1741) H3B1(0.3423) H3B2(0.0379) H3C1(0.0767)
 H3C2(0.2587) Ag1C(0) H1A5(-0.2599) H1C5(0.4252) H1RA(-0.1431) H1RB(-0.1385)
 H2A5(-0.2563) H2B5(0.0178) H2C5(0.3352) H2RA(0.2101) H2RB(0.2718) H3A5(-
 0.1769) H3B5(0.1932) H3C5(0.2217) H1A3(0.5817) H1A4(0.0851) H1C3(-0.0932)
 H1C4(0.7486) H1Q(0.4645) H1QA(0.1571) H1QB(0.166) H2A3(0.5862) H2A4(0.096)
 H2B3(0.2929) H2B4(0.3132) H2C3(-0.0033) H2C4(0.6604) H2QA(0.0456) H2QB(0.1113)
 H2QC(0.5287) H2QD(0.5802) H3A3(0.503) H3A4(0.1515) H3B3(0.1209) H3B4(0.4916)
 H3C3(0.1048) H3C4(0.5414) Ag1D(0.5) H1A6(0.2624) H1C6(0.4023) H1SA(0.5924)
 H1SB(0.5888) H2A6(0.2539) H2B6(0.6146) H2C6(0.2841) H2SA(0.5677) H2SB(0.638)
 H3A6(0.421) H3B6(0.6248) H3C6(0.3765) H12M(0.299) H13M(0.4102) H14M(0.3604)
 H15M(0.1959) H16M(0.0866) H22M(-0.0201) H23M(-0.1829) H24M(-0.2736) H25M(-
 0.2034) H26M(-0.0436) H32M(0.1255) H33M(0.1517) H34M(0.1718) H35M(0.1663)
 H36M(0.1382) H42M(-0.0226) H43M(0.0068) H44M(0.1684) H45M(0.2996) H46M(0.2692)
 H12O(0.6537) H13O(0.8136) H14O(0.9424) H15O(0.9097) H16O(0.7498) H22O(0.6798)
 H23O(0.6629) H24O(0.526) H25O(0.4036) H26O(0.4208) H32O(0.5802) H33O(0.4751)
 H34O(0.3165) H35O(0.2664) H36O(0.3717) H42O(0.55) H43O(0.5423) H44O(0.5287)
 H45O(0.5177) H46O(0.5292) H12N(0.9693) H13N(1.0966) H14N(1.0675) H15N(0.9111)
 H16N(0.7862) H22N(0.7164) H23N(0.5678) H24N(0.4243) H25N(0.4293) H26N(0.577)
 H32N(0.636) H33N(0.6351) H34N(0.7675) H35N(0.9027) H36N(0.9008) H42N(0.7947)
 H43N(0.8154) H44N(0.8265) H45N(0.8183) H46N(0.7961)
 Fixed Y: H1A1(-0.2719) H1A2(-0.057) H1C1(0.1771) H1C2(-0.479) H1PA(-0.1003)
 H1PB(-0.1575) H1PC(-0.153) H1PD(-0.2042) H2A1(-0.1814) H2A2(-0.122)
 H2B1(0.0355) H2B2(-0.3428) H2C1(0.0597) H2C2(-0.3598) H2PA(-0.0204)
 H2PB(0.0617) H2PC(-0.3992) H2PD(-0.3159) H3A1(-0.0896) H3A2(-0.2009)
 H3B1(0.1057) H3B2(-0.4258) H3C1(-0.0348) H3C2(-0.2856) Ag1C(0.5) H1A5(0.2882)
 H1C5(0.4047) H1RA(0.4486) H1RB(0.4904) H2A5(0.2098) H2B5(0.4498) H2C5(0.346)
 H2RA(0.5484) H2RB(0.5785) H3A5(0.2996) H3B5(0.4924) H3C5(0.4194) H1A3(0.3714)
 H1A4(-0.0719) H1C3(0.3) H1C4(0.0785) H1Q(0.2055) H1QA(0.0852) H1QB(0.1282)
 H2A3(0.4644) H2A4(-0.1493) H2B3(0.2525) H2B4(0.0807) H2C3(0.3447) H2C4(0.021)
 H2QA(0.1169) H2QB(0.1401) H2QC(0.2209) H2QD(0.2421) H3A3(0.3911) H3A4(-0.0604)
 H3B3(0.2159) H3B4(0.1371) H3C3(0.2646) H3C4(0.0914) Ag1D(0.5) H1A6(0.3837)
 H1C6(0.8455) H1SA(0.5607) H1SB(0.5075) H2A6(0.4499) H2B6(0.6965) H2C6(0.7252)
 H2SA(0.6496) H2SB(0.7317) H3A6(0.5439) H3B6(0.772) H3C6(0.6335) H12M(0.1372)
 H13M(0.0713) H14M(-0.0448) H15M(-0.0954) H16M(-0.0292) H22M(0.0369) H23M(-
 0.0416) H24M(-0.0757) H25M(-0.0275) H26M(0.0543) H32M(0.0702) H33M(0.1302)
 H34M(0.2572) H35M(0.3231) H36M(0.2626) H42M(0.1649) H43M(0.2464) H44M(0.3105)
 H45M(0.2866) H46M(0.2026) H12O(0.3542) H13O(0.417) H14O(0.3728) H15O(0.2586)
 H16O(0.1924) H22O(0.2238) H23O(0.1508) H24O(0.044) H25O(0.0147) H26O(0.0883)
 H32O(0.3489) H33O(0.4204) H34O(0.3761) H35O(0.2606) H36O(0.1896) H42O(0.2472)
 H43O(0.1875) H44O(0.0607) H45O(-0.004) H46O(0.0573) H12N(0.4967) H13N(0.4463)
 H14N(0.3343) H15N(0.2763) H16N(0.3284) H22N(0.3055) H23N(0.2233) H24N(0.2552)
 H25N(0.3709) H26N(0.4537) H32N(0.4367) H33N(0.5064) H34N(0.6134) H35N(0.6479)
 H36N(0.578) H42N(0.6085) H43N(0.6757) H44N(0.6189) H45N(0.4932) H46N(0.4264)
 Fixed Z: H1A1(0.3386) H1A2(0.6841) H1C1(0.569) H1C2(0.4368) H1PA(0.3329)
 H1PB(0.3736) H1PC(0.595) H1PD(0.6375) H2A1(0.2794) H2A2(0.7601) H2B1(0.3824)
 H2B2(0.6166) H2C1(0.5753) H2C2(0.4138) H2PA(0.5749) H2PB(0.5781) H2PC(0.42)
 H2PD(0.4156) H3A1(0.2916) H3A2(0.7238) H3B1(0.4805) H3B2(0.5264) H3C1(0.5706)
 H3C2(0.41) Ag1C(1) H1A5(0.9482) H1C5(1.1276) H1RA(1.1421) H1RB(1.0908)
 H2A5(1.0203) H2B5(1.1995) H2C5(1.0273) H2RA(1.0561) H2RB(1.1202) H3A5(1.1135)
 H3B5(1.1927) H3C5(1.0022) H1A3(1.0599) H1A4(0.9266) H1C3(0.8974) H1C4(1.1273)
 H1Q(0.8708) H1QA(1.1197) H1QB(1.0693) H2A3(0.999) H2A4(0.9982) H2B3(0.8068)
 H2B4(1.1813) H2C3(0.9977) H2C4(1.0276) H2QA(0.8865) H2QB(0.9497) H2QC(1.0632)
 H2QD(1.1291) H3A3(0.901) H3A4(1.0919) H3B3(0.8204) H3B4(1.1874) H3C3(1.0142)
 H3C4(1.0047) Ag1D(1.5) H1A6(1.3424) H1C6(1.5701) H1SA(1.3472) H1SB(1.3912)
 H2A6(1.2641) H2B6(1.3852) H2C6(1.574) H2SA(1.5797) H2SB(1.5826) H3A6(1.2792)
 H3B6(1.4787) H3C6(1.5717) H12M(1.3108) H13M(1.3014) H14M(1.2378) H15M(1.1882)
 H16M(1.1969) H22M(1.1568) H23M(1.1271) H24M(1.1943) H25M(1.2901) H26M(1.3194)
 H32M(1.3618) H33M(1.4551) H34M(1.4792) H35M(1.4074) H36M(1.3136) H42M(1.1854)
 H43M(1.126) H44M(1.123) H45M(1.1779) H46M(1.2353) H12O(0.7178) H13O(0.7126)
 H14O(0.741) H15O(0.7678) H16O(0.7688) H22O(0.8451) H23O(0.9112) H24O(0.8948)
 H25O(0.8122) H26O(0.7465) H32O(0.8033) H33O(0.8071) H34O(0.7489) H35O(0.6864)
 H36O(0.6807) H42O(0.6342) H43O(0.5432) H44O(0.5232) H45O(0.5956) H46O(0.6872)
 H12N(1.3346) H13N(1.328) H14N(1.264) H15N(1.2047) H16N(1.2092) H22N(1.2895)
 H23N(1.2955) H24N(1.2816) H25N(1.2627) H26N(1.2574) H32N(1.174) H33N(1.1055)
 H34N(1.1133) H35N(1.1908) H36N(1.2593) H42N(1.3218) H43N(1.4123) H44N(1.4895)
 H45N(1.473) H46N(1.3823)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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
_atom_site_refinement_flags_occupancy
Ag1A Ag 0.15684(2) -0.16264(2) 0.48936(2) 0.03200(10) Uani 1 1 d . U .
N1A1 N 0.1125(2) -0.15217(18) 0.34388(14) 0.0287(8) Uani 1 1 d . U .
N1A2 N 0.1844(2) -0.15835(17) 0.65307(14) 0.0262(8) Uani 1 1 d . U .
N1B1 N 0.2430(2) -0.05749(17) 0.41327(14) 0.0247(8) Uani 1 1 d . U .
N1B2 N 0.0822(2) -0.25685(16) 0.57360(14) 0.0241(8) Uani 1 1 d . U .
N1C1 N 0.1949(3) 0.05357(18) 0.56767(14) 0.0304(8) Uani 1 1 d . U .
N1C2 N 0.1618(3) -0.37478(18) 0.43013(14) 0.0320(9) Uani 1 1 d . U .
N2A1 N 0.0659(3) -0.21441(18) 0.36073(14) 0.0347(9) Uani 1 1 d . U .
N2A2 N 0.2565(3) -0.10925(18) 0.63746(15) 0.0341(9) Uani 1 1 d . U .
N2B1 N 0.2729(2) 0.00353(16) 0.49846(13) 0.0239(8) Uani 1 1 d . U .
N2B2 N 0.0757(2) -0.32820(16) 0.49592(13) 0.0250(8) Uani 1 1 d . U .
N2C1 N 0.2060(3) 0.1263(2) 0.56613(16) 0.0521(11) Uani 1 1 d . U .
N2C2 N 0.1690(3) -0.44106(19) 0.43971(15) 0.0412(10) Uani 1 1 d . U .
C1A1 C -0.0272(3) -0.2307(2) 0.33497(19) 0.0426(12) Uani 1 1 d . U .
H1A1 H -0.0787 -0.2719 0.3386 0.051 Uiso 1 1 calc R . .
C1A2 C 0.3312(3) -0.0910(3) 0.6819(2) 0.0523(14) Uani 1 1 d . U .
H1A2 H 0.3945 -0.0570 0.6841 0.063 Uiso 1 1 calc R . .
C1B1 C 0.2305(3) -0.0663(2) 0.46583(17) 0.0237(9) Uani 1 1 d . U .
C1B2 C 0.0945(3) -0.2556(2) 0.52000(17) 0.0238(9) Uani 1 1 d . U .
C1C1 C 0.1189(5) 0.1322(3) 0.5691(2) 0.0708(18) Uani 1 1 d . U .
H1C1 H 0.1033 0.1771 0.5690 0.085 Uiso 1 1 calc R . .
C1C2 C 0.2583(4) -0.4394(3) 0.43305(19) 0.0474(13) Uani 1 1 d . U .
H1C2 H 0.2847 -0.4790 0.4368 0.057 Uiso 1 1 calc R . .
C1P C 0.2173(3) -0.1191(2) 0.36367(17) 0.0353(11) Uani 1 1 d . U .
H1PA H 0.2461 -0.1003 0.3329 0.042 Uiso 1 1 calc R . .
H1PB H 0.2464 -0.1575 0.3736 0.042 Uiso 1 1 calc R . .
C1P' C 0.0890(3) -0.1907(2) 0.61516(17) 0.0357(11) Uani 1 1 d . U .
H1PC H 0.0746 -0.1530 0.5950 0.043 Uiso 1 1 calc R . .
H1PD H 0.0382 -0.2042 0.6375 0.043 Uiso 1 1 calc R . .
C2A1 C -0.0420(3) -0.1808(3) 0.30179(18) 0.0461(12) Uani 1 1 d . U .
H2A1 H -0.1024 -0.1814 0.2794 0.055 Uiso 1 1 calc R . .
C2A2 C 0.3077(4) -0.1266(3) 0.7246(2) 0.0709(18) Uani 1 1 d . U .
H2A2 H 0.3491 -0.1220 0.7601 0.085 Uiso 1 1 calc R . .
C2B1 C 0.2910(3) 0.0159(2) 0.41387(18) 0.0297(10) Uani 1 1 d . U .
H2B1 H 0.3075 0.0355 0.3824 0.036 Uiso 1 1 calc R . .
C2B2 C 0.0579(3) -0.3283(2) 0.58251(18) 0.0307(10) Uani 1 1 d . U .
H2B2 H 0.0465 -0.3428 0.6166 0.037 Uiso 1 1 calc R . .
C2C1 C 0.0531(4) 0.0676(3) 0.5723(2) 0.0698(17) Uani 1 1 d . U .
H2C1 H -0.0135 0.0597 0.5753 0.084 Uiso 1 1 calc R . .
C2C2 C 0.3097(4) -0.3736(3) 0.4200(2) 0.0563(14) Uani 1 1 d . U .
H2C2 H 0.3749 -0.3598 0.4138 0.068 Uiso 1 1 calc R . .
C2P C 0.2740(3) 0.0240(2) 0.55845(16) 0.0299(10) Uani 1 1 d . U .
H2PA H 0.2675 -0.0204 0.5749 0.036 Uiso 1 1 calc R . .
H2PB H 0.3381 0.0617 0.5781 0.036 Uiso 1 1 calc R . .
C2P' C 0.0749(3) -0.3551(2) 0.43661(17) 0.0324(10) Uani 1 1 d . U .
H2PC H 0.0159 -0.3992 0.4200 0.039 Uiso 1 1 calc R . .
H2PD H 0.0703 -0.3159 0.4156 0.039 Uiso 1 1 calc R . .
C3A1 C 0.0490(3) -0.1313(2) 0.30857(17) 0.0356(11) Uani 1 1 d . U .
H3A1 H 0.0650 -0.0896 0.2916 0.043 Uiso 1 1 calc R . .
C3A2 C 0.2133(4) -0.1690(2) 0.70465(19) 0.0542(14) Uani 1 1 d . U .
H3A2 H 0.1741 -0.2009 0.7238 0.065 Uiso 1 1 calc R . .
C3B1 C 0.3097(3) 0.0538(2) 0.46686(18) 0.0278(10) Uani 1 1 d . U .
H3B1 H 0.3423 0.1057 0.4805 0.033 Uiso 1 1 calc R . .
C3B2 C 0.0534(3) -0.3732(2) 0.53372(17) 0.0295(10) Uani 1 1 d . U .
H3B2 H 0.0379 -0.4258 0.5264 0.035 Uiso 1 1 calc R . .
C3C1 C 0.1024(4) 0.0164(3) 0.5703(2) 0.0579(14) Uani 1 1 d . U .
H3C1 H 0.0767 -0.0348 0.5706 0.069 Uiso 1 1 calc R . .
C3C2 C 0.2465(3) -0.3337(3) 0.41814(19) 0.0469(13) Uani 1 1 d . U .
H3C2 H 0.2587 -0.2856 0.4100 0.056 Uiso 1 1 calc R . .
Ag1C Ag 0.0000 0.5000 1.0000 0.03254(13) Uani 1 2 d S TU P
N1A5 N -0.1683(2) 0.38029(18) 1.06670(15) 0.0328(9) Uani 1 1 d . U .
N1B5 N -0.0122(3) 0.46945(17) 1.11884(14) 0.0323(8) Uani 1 1 d . U .
N1C5 N 0.2778(3) 0.4793(2) 1.08379(19) 0.0490(11) Uani 1 1 d . U .
N2A5 N -0.1946(3) 0.37951(19) 1.01159(15) 0.0376(9) Uani 1 1 d . U .
N2B5 N 0.1375(3) 0.50426(18) 1.11226(15) 0.0365(9) Uani 1 1 d . U .
N2C5 N 0.3458(3) 0.4760(2) 1.1278(2) 0.0733(15) Uani 1 1 d . U .
C1A5 C -0.2339(3) 0.3073(3) 0.9876(2) 0.0498(13) Uani 1 1 d . U .
H1A5 H -0.2599 0.2882 0.9482 0.060 Uiso 1 1 calc R . .
C1B5 C 0.0452(3) 0.4932(2) 1.08297(17) 0.0296(10) Uani 1 1 d . U .
C1C5 C 0.3761(4) 0.4202(3) 1.1070(4) 0.093(2) Uani 1 1 d . U .
H1C5 H 0.4252 0.4047 1.1276 0.112 Uiso 1 1 calc R . .
C1R C -0.1198(3) 0.4506(2) 1.10643(18) 0.0412(11) Uani 1 1 d . U .
H1RA H -0.1431 0.4486 1.1421 0.049 Uiso 1 1 calc R . .
H1RB H -0.1385 0.4904 1.0908 0.049 Uiso 1 1 calc R . .
C2A5 C -0.2325(3) 0.2626(2) 1.0272(2) 0.0429(12) Uani 1 1 d . U .
H2A5 H -0.2563 0.2098 1.0203 0.051 Uiso 1 1 calc R . .
C2B5 C 0.0422(4) 0.4655(3) 1.16838(19) 0.0526(14) Uani 1 1 d . U .
H2B5 H 0.0178 0.4498 1.1995 0.063 Uiso 1 1 calc R . .
C2C5 C 0.3272(4) 0.3873(3) 1.0511(4) 0.092(2) Uani 1 1 d . U .
H2C5 H 0.3352 0.3460 1.0273 0.110 Uiso 1 1 calc R . .
C2R C 0.2273(3) 0.5336(2) 1.0922(2) 0.0452(12) Uani 1 1 d . U .
H2RA H 0.2101 0.5484 1.0561 0.054 Uiso 1 1 calc R . .
H2RB H 0.2718 0.5785 1.1202 0.054 Uiso 1 1 calc R . .
C3A5 C -0.1895(3) 0.3115(2) 1.07759(19) 0.0365(11) Uani 1 1 d . U .
H3A5 H -0.1769 0.2996 1.1135 0.044 Uiso 1 1 calc R . .
C3B5 C 0.1372(4) 0.4882(3) 1.1646(2) 0.0609(16) Uani 1 1 d . U .
H3B5 H 0.1932 0.4924 1.1927 0.073 Uiso 1 1 calc R . .
C3C5 C 0.2653(4) 0.4272(3) 1.0376(3) 0.0684(16) Uani 1 1 d . U .
H3C5 H 0.2217 0.4194 1.0022 0.082 Uiso 1 1 calc R . .
Ag1B Ag 0.32110(2) 0.17390(2) 0.99775(2) 0.02749(9) Uani 1 1 d . U .
N1A3 N 0.4890(2) 0.29893(18) 0.93651(14) 0.0305(8) Uani 1 1 d . U .
N1A4 N 0.1501(2) 0.02022(18) 1.04601(14) 0.0302(8) Uani 1 1 d . U .
N1B3 N 0.3283(2) 0.22188(16) 0.88347(13) 0.0267(8) Uani 1 1 d . U .
N1B4 N 0.2943(2) 0.11521(18) 1.10471(14) 0.0292(8) Uani 1 1 d . U .
N1C3 N 0.0451(2) 0.21360(18) 0.93036(16) 0.0356(9) Uani 1 1 d . U .
N1C4 N 0.5968(3) 0.1499(2) 1.08668(17) 0.0399(9) Uani 1 1 d . U .
N2A3 N 0.5144(2) 0.29054(18) 0.98998(15) 0.0343(9) Uani 1 1 d . U .
N2A4 N 0.1289(2) 0.0185(2) 0.99010(15) 0.0374(9) Uani 1 1 d . U .
N2B3 N 0.1801(2) 0.19056(16) 0.89497(13) 0.0263(8) Uani 1 1 d . U .
N2B4 N 0.4471(2) 0.16278(17) 1.10988(14) 0.0301(8) Uani 1 1 d . U .
N2C3 N -0.0215(3) 0.2244(2) 0.88965(18) 0.0612(12) Uani 1 1 d . U .
N2C4 N 0.6659(3) 0.1471(3) 1.12998(19) 0.0642(13) Uani 1 1 d . U .
C1A3 C 0.5563(3) 0.3592(2) 1.02018(19) 0.0406(12) Uani 1 1 d . U .
H1A3 H 0.5817 0.3714 1.0599 0.049 Uiso 1 1 calc R . .
C1A4 C 0.1045(3) -0.0527(3) 0.96639(19) 0.0436(12) Uani 1 1 d . U .
H1A4 H 0.0851 -0.0719 0.9266 0.052 Uiso 1 1 calc R . .
C1B3 C 0.2730(3) 0.19519(19) 0.91963(16) 0.0245(9) Uani 1 1 d . U .
C1B4 C 0.3581(3) 0.1512(2) 1.07643(17) 0.0262(9) Uani 1 1 d . U .
C1C3 C -0.0466(4) 0.2798(3) 0.9153(3) 0.0811(19) Uani 1 1 d . U .
H1C3 H -0.0932 0.3000 0.8974 0.097 Uiso 1 1 calc R . .
C1C4 C 0.6980(5) 0.0932(4) 1.1073(3) 0.086(2) Uani 1 1 d . U .
H1C4 H 0.7486 0.0785 1.1273 0.103 Uiso 1 1 calc R . .
C1Q C 0.4348(3) 0.2355(2) 0.89219(17) 0.0337(11) Uani 1 1 d . U .
H1Q H 0.4645 0.2055 0.8708 0.040 Uiso 1 1 calc R . .
C1Q' C 0.1867(3) 0.0902(2) 1.08636(17) 0.0333(10) Uani 1 1 d . U .
H1QA H 0.1571 0.0852 1.1197 0.040 Uiso 1 1 calc R . .
H1QB H 0.1660 0.1282 1.0693 0.040 Uiso 1 1 calc R . .
C2A3 C 0.5589(3) 0.4118(2) 0.98693(19) 0.0431(12) Uani 1 1 d . U .
H2A3 H 0.5862 0.4644 0.9990 0.052 Uiso 1 1 calc R . .
C2A4 C 0.1101(3) -0.0968(3) 1.0055(2) 0.0479(13) Uani 1 1 d . U .
H2A4 H 0.0960 -0.1493 0.9982 0.058 Uiso 1 1 calc R . .
C2B3 C 0.2710(4) 0.2339(2) 0.83759(18) 0.0402(12) Uani 1 1 d . U .
H2B3 H 0.2929 0.2525 0.8068 0.048 Uiso 1 1 calc R . .
C2B4 C 0.3427(3) 0.1048(2) 1.15459(18) 0.0397(12) Uani 1 1 d . U .
H2B4 H 0.3132 0.0807 1.1813 0.048 Uiso 1 1 calc R . .
C2C3 C 0.0024(4) 0.3052(3) 0.9710(3) 0.0702(17) Uani 1 1 d . U .
H2C3 H -0.0033 0.3447 0.9977 0.084 Uiso 1 1 calc R . .
C2C4 C 0.6505(5) 0.0609(3) 1.0520(3) 0.089(2) Uani 1 1 d . U .
H2C4 H 0.6604 0.0210 1.0276 0.107 Uiso 1 1 calc R . .
C2Q C 0.0924(3) 0.1592(2) 0.91588(18) 0.0299(10) Uani 1 1 d . U .
H2QA H 0.0456 0.1169 0.8865 0.036 Uiso 1 1 calc R . .
H2QB H 0.1113 0.1401 0.9497 0.036 Uiso 1 1 calc R . .
C2Q' C 0.5412(3) 0.2002(2) 1.09701(19) 0.0378(11) Uani 1 1 d . U .
H2QC H 0.5287 0.2209 1.0632 0.045 Uiso 1 1 calc R . .
H2QD H 0.5802 0.2421 1.1291 0.045 Uiso 1 1 calc R . .
C3A3 C 0.5144(3) 0.3719(2) 0.93380(19) 0.0390(11) Uani 1 1 d . U .
H3A3 H 0.5030 0.3911 0.9010 0.047 Uiso 1 1 calc R . .
C3A4 C 0.1398(3) -0.0484(2) 1.0559(2) 0.0454(12) Uani 1 1 d . U .
H3A4 H 0.1515 -0.0604 1.0919 0.054 Uiso 1 1 calc R . .
C3B3 C 0.1777(3) 0.2140(2) 0.84504(17) 0.0362(11) Uani 1 1 d . U .
H3B3 H 0.1209 0.2159 0.8204 0.043 Uiso 1 1 calc R . .
C3B4 C 0.4390(3) 0.1350(2) 1.15784(18) 0.0402(12) Uani 1 1 d . U .
H3B4 H 0.4916 0.1371 1.1874 0.048 Uiso 1 1 calc R . .
C3C3 C 0.0612(3) 0.2616(2) 0.9799(2) 0.0528(13) Uani 1 1 d . U .
H3C3 H 0.1048 0.2646 1.0142 0.063 Uiso 1 1 calc R . .
C3C4 C 0.5858(4) 0.0993(3) 1.0398(2) 0.0612(15) Uani 1 1 d . U .
H3C4 H 0.5414 0.0914 1.0047 0.073 Uiso 1 1 calc R . .
Ag1D Ag 0.5000 0.5000 1.5000 0.03099(13) Uani 1 2 d S TU P
N1A6 N 0.4559(2) 0.50235(16) 1.34961(13) 0.0244(8) Uani 1 1 d . U .
N1B6 N 0.5700(2) 0.60512(16) 1.42208(14) 0.0242(8) Uani 1 1 d . U .
N1C6 N 0.4950(2) 0.72163(17) 1.56755(13) 0.0285(8) Uani 1 1 d . U .
N2A6 N 0.4036(2) 0.44743(18) 1.37189(14) 0.0322(9) Uani 1 1 d . U .
N2B6 N 0.5798(2) 0.67071(16) 1.50296(14) 0.0249(8) Uani 1 1 d . U .
N2C6 N 0.5053(3) 0.79418(19) 1.56713(15) 0.0425(10) Uani 1 1 d . U .
C1A6 C 0.3158(3) 0.4226(2) 1.33752(18) 0.0358(11) Uani 1 1 d . U .
H1A6 H 0.2624 0.3837 1.3424 0.043 Uiso 1 1 calc R . .
C1B6 C 0.5559(3) 0.5990(2) 1.47470(17) 0.0244(9) Uani 1 1 d . U .
C1C6 C 0.4179(4) 0.8005(3) 1.5697(2) 0.0537(14) Uani 1 1 d . U .
H1C6 H 0.4023 0.8455 1.5701 0.064 Uiso 1 1 calc R . .
C1S C 0.5576(3) 0.5422(2) 1.37613(17) 0.0322(10) Uani 1 1 d . U .
H1SA H 0.5924 0.5607 1.3472 0.039 Uiso 1 1 calc R . .
H1SB H 0.5888 0.5075 1.3912 0.039 Uiso 1 1 calc R . .
C2A6 C 0.3096(3) 0.4587(2) 1.29377(19) 0.0428(12) Uani 1 1 d . U .
H2A6 H 0.2539 0.4499 1.2641 0.051 Uiso 1 1 calc R . .
C2B6 C 0.6005(3) 0.6786(2) 1.41771(18) 0.0299(10) Uani 1 1 d . U .
H2B6 H 0.6146 0.6965 1.3852 0.036 Uiso 1 1 calc R . .
C2C6 C 0.3513(4) 0.7341(3) 1.5719(2) 0.0558(14) Uani 1 1 d . U .
H2C6 H 0.2841 0.7252 1.5740 0.067 Uiso 1 1 calc R . .
C2S C 0.5751(3) 0.6931(2) 1.56203(17) 0.0298(10) Uani 1 1 d . U .
H2SA H 0.5677 0.6496 1.5797 0.036 Uiso 1 1 calc R . .
H2SB H 0.6380 0.7317 1.5826 0.036 Uiso 1 1 calc R . .
C3A6 C 0.4004(3) 0.5097(2) 1.30218(18) 0.0371(11) Uani 1 1 d . U .
H3A6 H 0.4210 0.5439 1.2792 0.044 Uiso 1 1 calc R . .
C3B6 C 0.6061(3) 0.7192(2) 1.46833(18) 0.0300(10) Uani 1 1 d . U .
H3B6 H 0.6248 0.7720 1.4787 0.036 Uiso 1 1 calc R . .
C3C6 C 0.4016(3) 0.6846(3) 1.57067(19) 0.0442(12) Uani 1 1 d . U .
H3C6 H 0.3765 0.6335 1.5717 0.053 Uiso 1 1 calc R . .
C11M C 0.1786(3) 0.0630(2) 1.25435(15) 0.0206(9) Uani 1 1 d . U .
C12M C 0.2772(3) 0.0901(2) 1.28516(15) 0.0229(9) Uani 1 1 d . U .
H12M H 0.2990 0.1372 1.3108 0.028 Uiso 1 1 calc R . .
C13M C 0.3443(3) 0.0508(2) 1.27973(16) 0.0284(10) Uani 1 1 d . U .
H13M H 0.4102 0.0713 1.3014 0.034 Uiso 1 1 calc R . .
C14M C 0.3148(3) -0.0182(2) 1.24261(17) 0.0323(10) Uani 1 1 d . U .
H14M H 0.3604 -0.0448 1.2378 0.039 Uiso 1 1 calc R . .
C15M C 0.2178(3) -0.0474(2) 1.21282(17) 0.0312(10) Uani 1 1 d . U .
H15M H 0.1959 -0.0954 1.1882 0.037 Uiso 1 1 calc R . .
C16M C 0.1525(3) -0.00765(19) 1.21842(16) 0.0229(9) Uani 1 1 d . U .
H16M H 0.0866 -0.0292 1.1969 0.027 Uiso 1 1 calc R . .
C21M C -0.0122(3) 0.0564(2) 1.24143(17) 0.0253(9) Uani 1 1 d . U .
C22M C -0.0572(3) 0.0250(2) 1.18444(19) 0.0339(11) Uani 1 1 d . U .
H22M H -0.0201 0.0369 1.1568 0.041 Uiso 1 1 calc R . .
C23M C -0.1542(3) -0.0228(2) 1.1663(2) 0.0532(14) Uani 1 1 d . U .
H23M H -0.1829 -0.0416 1.1271 0.064 Uiso 1 1 calc R . .
C24M C -0.2079(3) -0.0425(2) 1.2061(3) 0.0648(17) Uani 1 1 d . U .
H24M H -0.2736 -0.0757 1.1943 0.078 Uiso 1 1 calc R . .
C25M C -0.1664(4) -0.0139(2) 1.2628(3) 0.0622(16) Uani 1 1 d . U .
H25M H -0.2034 -0.0275 1.2901 0.075 Uiso 1 1 calc R . .
C26M C -0.0706(3) 0.0348(2) 1.2801(2) 0.0391(11) Uani 1 1 d . U .
H26M H -0.0436 0.0543 1.3194 0.047 Uiso 1 1 calc R . .
C31M C 0.1270(3) 0.1585(2) 1.32530(16) 0.0199(9) Uani 1 1 d . U .
C32M C 0.1329(3) 0.1219(2) 1.37025(17) 0.0310(10) Uani 1 1 d . U .
H32M H 0.1255 0.0702 1.3618 0.037 Uiso 1 1 calc R . .
C33M C 0.1490(3) 0.1577(2) 1.42637(18) 0.0372(11) Uani 1 1 d . U .
H33M H 0.1517 0.1302 1.4551 0.045 Uiso 1 1 calc R . .
C34M C 0.1611(3) 0.2326(2) 1.44082(18) 0.0333(10) Uani 1 1 d . U .
H34M H 0.1718 0.2572 1.4792 0.040 Uiso 1 1 calc R . .
C35M C 0.1573(3) 0.2712(2) 1.39828(18) 0.0315(10) Uani 1 1 d . U .
H35M H 0.1663 0.3231 1.4074 0.038 Uiso 1 1 calc R . .
C36M C 0.1405(3) 0.2345(2) 1.34199(16) 0.0241(9) Uani 1 1 d . U .
H36M H 0.1382 0.2626 1.3136 0.029 Uiso 1 1 calc R . .
C41M C 0.1196(3) 0.17178(19) 1.21724(15) 0.0213(9) Uani 1 1 d . U .
C42M C 0.0437(3) 0.1887(2) 1.18377(16) 0.0267(10) Uani 1 1 d . U .
H42M H -0.0226 0.1649 1.1854 0.032 Uiso 1 1 calc R . .
C43M C 0.0609(3) 0.2382(2) 1.14865(17) 0.0328(11) Uani 1 1 d . U .
H43M H 0.0068 0.2464 1.1260 0.039 Uiso 1 1 calc R . .
C44M C 0.1560(3) 0.2756(2) 1.14646(17) 0.0351(11) Uani 1 1 d . U .
H44M H 0.1684 0.3105 1.1230 0.042 Uiso 1 1 calc R . .
C45M C 0.2335(3) 0.2615(2) 1.17908(17) 0.0356(11) Uani 1 1 d . U .
H45M H 0.2996 0.2866 1.1779 0.043 Uiso 1 1 calc R . .
C46M C 0.2147(3) 0.2110(2) 1.21331(16) 0.0293(10) Uani 1 1 d . U .
H46M H 0.2692 0.2026 1.2353 0.035 Uiso 1 1 calc R . .
B1M B 0.1019(3) 0.1128(2) 1.25963(19) 0.0218(10) Uani 1 1 d . U .
C11O C 0.6819(3) 0.2648(2) 0.74394(15) 0.0221(9) Uani 1 1 d . U .
C12O C 0.7049(3) 0.3335(2) 0.72756(17) 0.0315(10) Uani 1 1 d . U .
H12O H 0.6537 0.3542 0.7178 0.038 Uiso 1 1 calc R . .
C13O C 0.8008(3) 0.3718(2) 0.7253(2) 0.0462(13) Uani 1 1 d . U .
H13O H 0.8136 0.4170 0.7126 0.055 Uiso 1 1 calc R . .
C14O C 0.8766(3) 0.3452(3) 0.7411(2) 0.0561(15) Uani 1 1 d . U .
H14O H 0.9424 0.3728 0.7410 0.067 Uiso 1 1 calc R . .
C15O C 0.8574(3) 0.2779(2) 0.7573(2) 0.0470(13) Uani 1 1 d . U .
H15O H 0.9097 0.2586 0.7678 0.056 Uiso 1 1 calc R . .
C16O C 0.7618(3) 0.2390(2) 0.75811(17) 0.0287(10) Uani 1 1 d . U .
H16O H 0.7498 0.1924 0.7688 0.034 Uiso 1 1 calc R . .
C21O C 0.5552(3) 0.16353(19) 0.78588(16) 0.0215(9) Uani 1 1 d . U .
C22O C 0.6238(3) 0.1806(2) 0.83727(17) 0.0285(10) Uani 1 1 d . U .
H22O H 0.6798 0.2238 0.8451 0.034 Uiso 1 1 calc R . .
C23O C 0.6137(3) 0.1373(2) 0.87724(17) 0.0348(11) Uani 1 1 d . U .
H23O H 0.6629 0.1508 0.9112 0.042 Uiso 1 1 calc R . .
C24O C 0.5324(3) 0.0745(2) 0.86795(18) 0.0357(11) Uani 1 1 d . U .
H24O H 0.5260 0.0440 0.8948 0.043 Uiso 1 1 calc R . .
C25O C 0.4607(3) 0.0570(2) 0.81892(17) 0.0289(10) Uani 1 1 d . U .
H25O H 0.4036 0.0147 0.8122 0.035 Uiso 1 1 calc R . .
C26O C 0.4719(3) 0.1010(2) 0.77950(16) 0.0245(9) Uani 1 1 d . U .
H26O H 0.4208 0.0883 0.7465 0.029 Uiso 1 1 calc R . .
C31O C 0.4908(3) 0.2610(2) 0.74032(15) 0.0201(9) Uani 1 1 d . U .
C32O C 0.5168(3) 0.3306(2) 0.77853(16) 0.0232(9) Uani 1 1 d . U .
H32O H 0.5802 0.3489 0.8033 0.028 Uiso 1 1 calc R . .
C33O C 0.4538(3) 0.3732(2) 0.78142(17) 0.0270(10) Uani 1 1 d . U .
H33O H 0.4751 0.4204 0.8071 0.032 Uiso 1 1 calc R . .
C34O C 0.3601(3) 0.3472(2) 0.74702(17) 0.0294(10) Uani 1 1 d . U .
H34O H 0.3165 0.3761 0.7489 0.035 Uiso 1 1 calc R . .
C35O C 0.3309(3) 0.2790(2) 0.71000(16) 0.0284(10) Uani 1 1 d . U .
H35O H 0.2664 0.2606 0.6864 0.034 Uiso 1 1 calc R . .
C36O C 0.3942(3) 0.2366(2) 0.70660(16) 0.0247(9) Uani 1 1 d . U .
H36O H 0.3717 0.1896 0.6807 0.030 Uiso 1 1 calc R . .
C41O C 0.5430(2) 0.1605(2) 0.67265(16) 0.0206(9) Uani 1 1 d . U .
C42O C 0.5449(3) 0.1960(2) 0.62706(16) 0.0255(9) Uani 1 1 d . U .
H42O H 0.5500 0.2472 0.6342 0.031 Uiso 1 1 calc R . .
C43O C 0.5398(3) 0.1606(2) 0.57237(17) 0.0318(10) Uani 1 1 d . U .
H43O H 0.5423 0.1875 0.5432 0.038 Uiso 1 1 calc R . .
C44O C 0.5311(3) 0.0856(2) 0.56041(17) 0.0327(10) Uani 1 1 d . U .
H44O H 0.5287 0.0607 0.5232 0.039 Uiso 1 1 calc R . .
C45O C 0.5258(3) 0.0478(2) 0.60343(17) 0.0280(10) Uani 1 1 d . U .
H45O H 0.5177 -0.0040 0.5956 0.034 Uiso 1 1 calc R . .
C46O C 0.5323(3) 0.0848(2) 0.65832(16) 0.0246(9) Uani 1 1 d . U .
H46O H 0.5292 0.0573 0.6872 0.030 Uiso 1 1 calc R . .
B11O B 0.5676(3) 0.2121(2) 0.73711(19) 0.0217(10) Uani 1 1 d . U .
C11N C 0.8610(3) 0.41866(19) 1.27392(16) 0.0215(9) Uani 1 1 d . U .
C12N C 0.9562(3) 0.4515(2) 1.30778(16) 0.0267(9) Uani 1 1 d . U .
H12N H 0.9693 0.4967 1.3346 0.032 Uiso 1 1 calc R . .
C13N C 1.0330(3) 0.4215(2) 1.30427(17) 0.0301(10) Uani 1 1 d . U .
H13N H 1.0966 0.4463 1.3280 0.036 Uiso 1 1 calc R . .
C14N C 1.0162(3) 0.3559(2) 1.26628(18) 0.0330(11) Uani 1 1 d . U .
H14N H 1.0675 0.3343 1.2640 0.040 Uiso 1 1 calc R . .
C15N C 0.9234(3) 0.3216(2) 1.23125(18) 0.0309(10) Uani 1 1 d . U .
H15N H 0.9111 0.2763 1.2047 0.037 Uiso 1 1 calc R . .
C16N C 0.8486(3) 0.3526(2) 1.23451(17) 0.0273(10) Uani 1 1 d . U .
H16N H 0.7862 0.3284 1.2092 0.033 Uiso 1 1 calc R . .
C21N C 0.6657(3) 0.3909(2) 1.27345(16) 0.0247(9) Uani 1 1 d . U .
C22N C 0.6585(3) 0.3201(2) 1.28427(17) 0.0314(10) Uani 1 1 d . U .
H22N H 0.7164 0.3055 1.2895 0.038 Uiso 1 1 calc R . .
C23N C 0.5696(3) 0.2704(2) 1.28756(19) 0.0430(12) Uani 1 1 d . U .
H23N H 0.5678 0.2233 1.2955 0.052 Uiso 1 1 calc R . .
C24N C 0.4850(3) 0.2892(3) 1.2795(2) 0.0511(13) Uani 1 1 d . U .
H24N H 0.4243 0.2552 1.2816 0.061 Uiso 1 1 calc R . .
C25N C 0.4880(3) 0.3575(2) 1.26835(19) 0.0442(12) Uani 1 1 d . U .
H25N H 0.4293 0.3709 1.2627 0.053 Uiso 1 1 calc R . .
C26N C 0.5768(3) 0.4069(2) 1.26534(17) 0.0333(10) Uani 1 1 d . U .
H26N H 0.5770 0.4537 1.2574 0.040 Uiso 1 1 calc R . .
C31N C 0.7662(3) 0.5000(2) 1.22645(16) 0.0221(9) Uani 1 1 d . U .
C32N C 0.6902(3) 0.4804(2) 1.17856(17) 0.0314(10) Uani 1 1 d . U .
H32N H 0.6360 0.4367 1.1740 0.038 Uiso 1 1 calc R . .
C33N C 0.6896(3) 0.5217(2) 1.13698(17) 0.0373(11) Uani 1 1 d . U .
H33N H 0.6351 0.5064 1.1055 0.045 Uiso 1 1 calc R . .
C34N C 0.7679(3) 0.5847(2) 1.14126(18) 0.0373(11) Uani 1 1 d . U .
H34N H 0.7675 0.6134 1.1133 0.045 Uiso 1 1 calc R . .
C35N C 0.8474(3) 0.6053(2) 1.18738(17) 0.0319(10) Uani 1 1 d . U .
H35N H 0.9027 0.6479 1.1908 0.038 Uiso 1 1 calc R . .
C36N C 0.8456(3) 0.5633(2) 1.22834(17) 0.0262(9) Uani 1 1 d . U .
H36N H 0.9008 0.5780 1.2593 0.031 Uiso 1 1 calc R . .
C41N C 0.7922(2) 0.50879(19) 1.34031(15) 0.0181(8) Uani 1 1 d . U .
C42N C 0.7990(3) 0.5840(2) 1.35232(16) 0.0237(9) Uani 1 1 d . U .
H42N H 0.7947 0.6085 1.3218 0.028 Uiso 1 1 calc R . .
C43N C 0.8115(3) 0.6247(2) 1.40652(17) 0.0292(10) Uani 1 1 d . U .
H43N H 0.8154 0.6757 1.4123 0.035 Uiso 1 1 calc R . .
C44N C 0.8183(3) 0.5915(2) 1.45222(17) 0.0324(10) Uani 1 1 d . U .
H44N H 0.8265 0.6189 1.4895 0.039 Uiso 1 1 calc R . .
C45N C 0.8130(3) 0.5171(2) 1.44220(17) 0.0305(10) Uani 1 1 d . U .
H45N H 0.8183 0.4932 1.4730 0.037 Uiso 1 1 calc R . .
C46N C 0.8000(3) 0.4774(2) 1.38778(16) 0.0254(9) Uani 1 1 d . U .
H46N H 0.7961 0.4264 1.3823 0.030 Uiso 1 1 calc R . .
B1N B 0.7704(3) 0.4542(2) 1.27732(19) 0.0224(10) Uani 1 1 d . U .
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
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
C1B2 Ag1A C1B1 174.32(15) . .
N2A1 N1A1 C1P 119.0(3) . .
C3A1 N1A1 N2A1 111.8(3) . .
C3A1 N1A1 C1P 129.2(4) . .
N2A2 N1A2 C1P' 119.1(3) . .
C3A2 N1A2 N2A2 112.5(4) . .
C3A2 N1A2 C1P' 128.4(4) . .
C1B1 N1B1 C1P 124.2(3) . .
C1B1 N1B1 C2B1 111.3(3) . .
C2B1 N1B1 C1P 124.3(3) . .
C1B2 N1B2 C1P' 123.6(3) . .
C1B2 N1B2 C2B2 111.6(3) . .
C2B2 N1B2 C1P' 124.8(3) . .
N2C1 N1C1 C2P 119.1(3) . .
C3C1 N1C1 N2C1 111.9(4) . .
C3C1 N1C1 C2P 128.3(4) . .
N2C2 N1C2 C2P' 119.8(3) . .
N2C2 N1C2 C3C2 110.9(4) . .
C3C2 N1C2 C2P' 129.1(3) . .
C1A1 N2A1 N1A1 103.7(3) . .
C1A2 N2A2 N1A2 102.4(4) . .
C1B1 N2B1 C2P 124.5(3) . .
C1B1 N2B1 C3B1 111.3(3) . .
C3B1 N2B1 C2P 124.1(3) . .
C1B2 N2B2 C2P' 123.5(3) . .
C1B2 N2B2 C3B2 111.5(3) . .
C3B2 N2B2 C2P' 124.9(3) . .
C1C1 N2C1 N1C1 103.4(4) . .
C1C2 N2C2 N1C2 104.0(3) . .
N2A1 C1A1 H1A1 123.7 . .
N2A1 C1A1 C2A1 112.7(4) . .
C2A1 C1A1 H1A1 123.7 . .
N2A2 C1A2 H1A2 123.5 . .
N2A2 C1A2 C2A2 113.1(4) . .
C2A2 C1A2 H1A2 123.5 . .
N1B1 C1B1 Ag1A 128.2(3) . .
N2B1 C1B1 Ag1A 128.3(3) . .
N2B1 C1B1 N1B1 103.4(3) . .
N1B2 C1B2 Ag1A 127.0(3) . .
N2B2 C1B2 Ag1A 128.3(3) . .
N2B2 C1B2 N1B2 103.5(3) . .
N2C1 C1C1 H1C1 123.4 . .
N2C1 C1C1 C2C1 113.1(5) . .
C2C1 C1C1 H1C1 123.4 . .
N2C2 C1C2 H1C2 123.6 . .
N2C2 C1C2 C2C2 112.7(4) . .
C2C2 C1C2 H1C2 123.6 . .
N1A1 C1P N1B1 112.0(3) . .
N1A1 C1P H1PA 109.2 . .
N1A1 C1P H1PB 109.2 . .
N1B1 C1P H1PA 109.2 . .
N1B1 C1P H1PB 109.2 . .
H1PA C1P H1PB 107.9 . .
N1A2 C1P' N1B2 113.1(3) . .
N1A2 C1P' H1PC 108.9 . .
N1A2 C1P' H1PD 108.9 . .
N1B2 C1P' H1PC 108.9 . .
N1B2 C1P' H1PD 108.9 . .
H1PC C1P' H1PD 107.8 . .
C1A1 C2A1 H2A1 127.7 . .
C3A1 C2A1 C1A1 104.6(4) . .
C3A1 C2A1 H2A1 127.7 . .
C1A2 C2A2 H2A2 127.8 . .
C3A2 C2A2 C1A2 104.4(5) . .
C3A2 C2A2 H2A2 127.8 . .
N1B1 C2B1 H2B1 126.6 . .
C3B1 C2B1 N1B1 106.9(3) . .
C3B1 C2B1 H2B1 126.6 . .
N1B2 C2B2 H2B2 126.7 . .
C3B2 C2B2 N1B2 106.6(3) . .
C3B2 C2B2 H2B2 126.7 . .
C1C1 C2C1 H2C1 127.1 . .
C1C1 C2C1 C3C1 105.9(5) . .
C3C1 C2C1 H2C1 127.1 . .
C1C2 C2C2 H2C2 127.7 . .
C3C2 C2C2 C1C2 104.7(4) . .
C3C2 C2C2 H2C2 127.7 . .
N1C1 C2P N2B1 111.8(3) . .
N1C1 C2P H2PA 109.3 . .
N1C1 C2P H2PB 109.3 . .
N2B1 C2P H2PA 109.3 . .
N2B1 C2P H2PB 109.3 . .
H2PA C2P H2PB 107.9 . .
N1C2 C2P' N2B2 112.0(3) . .
N1C2 C2P' H2PC 109.2 . .
N1C2 C2P' H2PD 109.2 . .
N2B2 C2P' H2PC 109.2 . .
N2B2 C2P' H2PD 109.2 . .
H2PC C2P' H2PD 107.9 . .
N1A1 C3A1 C2A1 107.2(4) . .
N1A1 C3A1 H3A1 126.4 . .
C2A1 C3A1 H3A1 126.4 . .
N1A2 C3A2 C2A2 107.6(4) . .
N1A2 C3A2 H3A2 126.2 . .
C2A2 C3A2 H3A2 126.2 . .
N2B1 C3B1 H3B1 126.4 . .
C2B1 C3B1 N2B1 107.1(3) . .
C2B1 C3B1 H3B1 126.4 . .
N2B2 C3B2 H3B2 126.6 . .
C2B2 C3B2 N2B2 106.8(3) . .
C2B2 C3B2 H3B2 126.6 . .
N1C1 C3C1 C2C1 105.6(5) . .
N1C1 C3C1 H3C1 127.2 . .
C2C1 C3C1 H3C1 127.2 . .
N1C2 C3C2 H3C2 126.2 . .
C2C2 C3C2 N1C2 107.6(4) . .
C2C2 C3C2 H3C2 126.2 . .
C1B5 Ag1C C1B5 180.00(8) 2_567 .
N2A5 N1A5 C1R 119.2(3) . .
N2A5 N1A5 C3A5 113.1(4) . .
C3A5 N1A5 C1R 127.6(4) . .
C1B5 N1B5 C1R 124.3(3) . .
C1B5 N1B5 C2B5 112.0(4) . .
C2B5 N1B5 C1R 123.7(4) . .
N2C5 N1C5 C2R 119.0(5) . .
C3C5 N1C5 N2C5 112.4(5) . .
C3C5 N1C5 C2R 128.6(5) . .
C1A5 N2A5 N1A5 103.4(3) . .
C1B5 N2B5 C2R 124.5(3) . .
C1B5 N2B5 C3B5 111.7(4) . .
C3B5 N2B5 C2R 123.7(4) . .
C1C5 N2C5 N1C5 104.0(5) . .
N2A5 C1A5 H1A5 123.9 . .
N2A5 C1A5 C2A5 112.2(4) . .
C2A5 C1A5 H1A5 123.9 . .
N1B5 C1B5 Ag1C 127.8(3) . .
N2B5 C1B5 Ag1C 128.6(3) . .
N2B5 C1B5 N1B5 103.3(3) . .
N2C5 C1C5 H1C5 124.2 . .
N2C5 C1C5 C2C5 111.6(6) . .
C2C5 C1C5 H1C5 124.2 . .
N1A5 C1R N1B5 112.6(3) . .
N1A5 C1R H1RA 109.1 . .
N1A5 C1R H1RB 109.1 . .
N1B5 C1R H1RA 109.1 . .
N1B5 C1R H1RB 109.1 . .
H1RA C1R H1RB 107.8 . .
C1A5 C2A5 H2A5 127.7 . .
C3A5 C2A5 C1A5 104.7(4) . .
C3A5 C2A5 H2A5 127.7 . .
N1B5 C2B5 H2B5 126.7 . .
C3B5 C2B5 N1B5 106.5(4) . .
C3B5 C2B5 H2B5 126.7 . .
C1C5 C2C5 H2C5 127.4 . .
C3C5 C2C5 C1C5 105.1(6) . .
C3C5 C2C5 H2C5 127.4 . .
N1C5 C2R N2B5 111.3(3) . .
N1C5 C2R H2RA 109.4 . .
N1C5 C2R H2RB 109.4 . .
N2B5 C2R H2RA 109.4 . .
N2B5 C2R H2RB 109.4 . .
H2RA C2R H2RB 108.0 . .
N1A5 C3A5 C2A5 106.6(4) . .
N1A5 C3A5 H3A5 126.7 . .
C2A5 C3A5 H3A5 126.7 . .
N2B5 C3B5 H3B5 126.8 . .
C2B5 C3B5 N2B5 106.5(4) . .
C2B5 C3B5 H3B5 126.8 . .
N1C5 C3C5 C2C5 106.8(6) . .
N1C5 C3C5 H3C5 126.6 . .
C2C5 C3C5 H3C5 126.6 . .
C1B4 Ag1B C1B3 175.61(15) . .
N2A3 N1A3 C1Q 120.0(3) . .
N2A3 N1A3 C3A3 111.8(3) . .
C3A3 N1A3 C1Q 127.9(4) . .
N2A4 N1A4 C1Q' 120.2(3) . .
N2A4 N1A4 C3A4 111.8(4) . .
C3A4 N1A4 C1Q' 127.9(4) . .
C1B3 N1B3 C1Q 124.0(3) . .
C1B3 N1B3 C2B3 111.3(4) . .
C2B3 N1B3 C1Q 124.7(3) . .
C1B4 N1B4 C1Q' 125.3(3) . .
C1B4 N1B4 C2B4 111.9(3) . .
C2B4 N1B4 C1Q' 122.8(3) . .
N2C3 N1C3 C2Q 119.2(4) . .
C3C3 N1C3 N2C3 111.9(4) . .
C3C3 N1C3 C2Q 128.8(4) . .
N2C4 N1C4 C2Q' 118.8(4) . .
C3C4 N1C4 N2C4 112.4(4) . .
C3C4 N1C4 C2Q' 128.6(4) . .
C1A3 N2A3 N1A3 104.2(3) . .
C1A4 N2A4 N1A4 103.5(3) . .
C1B3 N2B3 C2Q 124.7(3) . .
C1B3 N2B3 C3B3 111.4(3) . .
C3B3 N2B3 C2Q 123.7(3) . .
C1B4 N2B4 C2Q' 124.2(3) . .
C1B4 N2B4 C3B4 112.0(3) . .
C3B4 N2B4 C2Q' 123.8(3) . .
C1C3 N2C3 N1C3 104.3(5) . .
C1C4 N2C4 N1C4 103.2(5) . .
N2A3 C1A3 H1A3 124.0 . .
N2A3 C1A3 C2A3 112.0(4) . .
C2A3 C1A3 H1A3 124.0 . .
N2A4 C1A4 H1A4 123.5 . .
N2A4 C1A4 C2A4 112.9(4) . .
C2A4 C1A4 H1A4 123.5 . .
N1B3 C1B3 Ag1B 128.0(3) . .
N2B3 C1B3 Ag1B 127.9(3) . .
N2B3 C1B3 N1B3 104.0(3) . .
N1B4 C1B4 Ag1B 126.0(3) . .
N1B4 C1B4 N2B4 103.3(3) . .
N2B4 C1B4 Ag1B 130.6(3) . .
N2C3 C1C3 H1C3 124.0 . .
N2C3 C1C3 C2C3 112.1(5) . .
C2C3 C1C3 H1C3 124.0 . .
N2C4 C1C4 H1C4 123.5 . .
N2C4 C1C4 C2C4 113.0(6) . .
C2C4 C1C4 H1C4 123.5 . .
N1A3 C1Q N1B3 112.2(3) . .
N1A3 C1Q H1Q 123.9 . .
N1B3 C1Q H1Q 123.9 . .
N1A4 C1Q' N1B4 112.2(3) . .
N1A4 C1Q' H1QA 109.2 . .
N1A4 C1Q' H1QB 109.2 . .
N1B4 C1Q' H1QA 109.2 . .
N1B4 C1Q' H1QB 109.2 . .
H1QA C1Q' H1QB 107.9 . .
C1A3 C2A3 H2A3 127.4 . .
C3A3 C2A3 C1A3 105.3(4) . .
C3A3 C2A3 H2A3 127.4 . .
C1A4 C2A4 H2A4 127.8 . .
C3A4 C2A4 C1A4 104.4(4) . .
C3A4 C2A4 H2A4 127.8 . .
N1B3 C2B3 H2B3 126.8 . .
C3B3 C2B3 N1B3 106.4(4) . .
C3B3 C2B3 H2B3 126.8 . .
N1B4 C2B4 H2B4 126.8 . .
C3B4 C2B4 N1B4 106.4(4) . .
C3B4 C2B4 H2B4 126.8 . .
C1C3 C2C3 H2C3 127.3 . .
C3C3 C2C3 C1C3 105.5(5) . .
C3C3 C2C3 H2C3 127.3 . .
C1C4 C2C4 H2C4 127.8 . .
C3C4 C2C4 C1C4 104.4(6) . .
C3C4 C2C4 H2C4 127.8 . .
N1C3 C2Q N2B3 111.3(3) . .
N1C3 C2Q H2QA 109.4 . .
N1C3 C2Q H2QB 109.4 . .
N2B3 C2Q H2QA 109.4 . .
N2B3 C2Q H2QB 109.4 . .
H2QA C2Q H2QB 108.0 . .
N1C4 C2Q' N2B4 111.4(3) . .
N1C4 C2Q' H2QC 109.3 . .
N1C4 C2Q' H2QD 109.3 . .
N2B4 C2Q' H2QC 109.3 . .
N2B4 C2Q' H2QD 109.3 . .
H2QC C2Q' H2QD 108.0 . .
N1A3 C3A3 H3A3 126.7 . .
C2A3 C3A3 N1A3 106.6(4) . .
C2A3 C3A3 H3A3 126.7 . .
N1A4 C3A4 H3A4 126.3 . .
C2A4 C3A4 N1A4 107.4(4) . .
C2A4 C3A4 H3A4 126.3 . .
N2B3 C3B3 H3B3 126.5 . .
C2B3 C3B3 N2B3 107.0(4) . .
C2B3 C3B3 H3B3 126.5 . .
N2B4 C3B4 H3B4 126.8 . .
C2B4 C3B4 N2B4 106.5(4) . .
C2B4 C3B4 H3B4 126.8 . .
N1C3 C3C3 C2C3 106.2(5) . .
N1C3 C3C3 H3C3 126.9 . .
C2C3 C3C3 H3C3 126.9 . .
N1C4 C3C4 C2C4 107.0(6) . .
N1C4 C3C4 H3C4 126.5 . .
C2C4 C3C4 H3C4 126.5 . .
C1B6 Ag1D C1B6 180.0 . 2_668
N2A6 N1A6 C1S 119.7(3) . .
C3A6 N1A6 N2A6 111.4(3) . .
C3A6 N1A6 C1S 128.9(3) . .
C1B6 N1B6 C1S 124.4(3) . .
C1B6 N1B6 C2B6 111.8(3) . .
C2B6 N1B6 C1S 123.8(3) . .
N2C6 N1C6 C2S 120.4(3) . .
N2C6 N1C6 C3C6 110.9(4) . .
C3C6 N1C6 C2S 128.7(3) . .
C1A6 N2A6 N1A6 103.9(3) . .
C1B6 N2B6 C2S 124.0(3) . .
C1B6 N2B6 C3B6 111.2(3) . .
C3B6 N2B6 C2S 124.8(3) . .
C1C6 N2C6 N1C6 104.6(4) . .
N2A6 C1A6 H1A6 123.6 . .
N2A6 C1A6 C2A6 112.9(4) . .
C2A6 C1A6 H1A6 123.6 . .
N1B6 C1B6 Ag1D 126.0(3) . .
N2B6 C1B6 Ag1D 130.5(3) . .
N2B6 C1B6 N1B6 103.4(3) . .
N2C6 C1C6 H1C6 124.0 . .
N2C6 C1C6 C2C6 112.0(4) . .
C2C6 C1C6 H1C6 124.0 . .
N1A6 C1S N1B6 113.2(3) . .
N1A6 C1S H1SA 108.9 . .
N1A6 C1S H1SB 108.9 . .
N1B6 C1S H1SA 108.9 . .
N1B6 C1S H1SB 108.9 . .
H1SA C1S H1SB 107.7 . .
C1A6 C2A6 H2A6 127.4 . .
C3A6 C2A6 C1A6 105.1(4) . .
C3A6 C2A6 H2A6 127.4 . .
N1B6 C2B6 H2B6 126.9 . .
C3B6 C2B6 N1B6 106.1(3) . .
C3B6 C2B6 H2B6 126.9 . .
C1C6 C2C6 H2C6 127.1 . .
C3C6 C2C6 C1C6 105.7(4) . .
C3C6 C2C6 H2C6 127.1 . .
N1C6 C2S N2B6 112.3(3) . .
N1C6 C2S H2SA 109.1 . .
N1C6 C2S H2SB 109.1 . .
N2B6 C2S H2SA 109.1 . .
N2B6 C2S H2SB 109.1 . .
H2SA C2S H2SB 107.9 . .
N1A6 C3A6 C2A6 106.7(4) . .
N1A6 C3A6 H3A6 126.6 . .
C2A6 C3A6 H3A6 126.6 . .
N2B6 C3B6 H3B6 126.2 . .
C2B6 C3B6 N2B6 107.5(3) . .
C2B6 C3B6 H3B6 126.2 . .
N1C6 C3C6 H3C6 126.6 . .
C2C6 C3C6 N1C6 106.8(4) . .
C2C6 C3C6 H3C6 126.6 . .
C12M C11M B1M 121.7(3) . .
C16M C11M C12M 114.6(3) . .
C16M C11M B1M 123.7(3) . .
C11M C12M H12M 118.5 . .
C13M C12M C11M 122.9(4) . .
C13M C12M H12M 118.5 . .
C12M C13M H13M 120.0 . .
C14M C13M C12M 120.0(4) . .
C14M C13M H13M 120.0 . .
C13M C14M H14M 120.7 . .
C15M C14M C13M 118.7(4) . .
C15M C14M H14M 120.7 . .
C14M C15M H15M 119.7 . .
C14M C15M C16M 120.6(4) . .
C16M C15M H15M 119.7 . .
C11M C16M H16M 118.4 . .
C15M C16M C11M 123.2(4) . .
C15M C16M H16M 118.4 . .
C22M C21M C26M 115.3(4) . .
C22M C21M B1M 120.4(4) . .
C26M C21M B1M 124.3(4) . .
C21M C22M H22M 118.5 . .
C23M C22M C21M 123.1(4) . .
C23M C22M H22M 118.5 . .
C22M C23M H23M 120.4 . .
C24M C23M C22M 119.1(5) . .
C24M C23M H23M 120.4 . .
C23M C24M H24M 120.0 . .
C25M C24M C23M 120.0(5) . .
C25M C24M H24M 120.0 . .
C24M C25M H25M 119.9 . .
C24M C25M C26M 120.2(5) . .
C26M C25M H25M 119.9 . .
C21M C26M H26M 118.9 . .
C25M C26M C21M 122.2(5) . .
C25M C26M H26M 118.9 . .
C32M C31M B1M 121.1(3) . .
C36M C31M C32M 114.3(4) . .
C36M C31M B1M 124.5(3) . .
C31M C32M H32M 118.5 . .
C33M C32M C31M 123.1(4) . .
C33M C32M H32M 118.5 . .
C32M C33M H33M 119.7 . .
C34M C33M C32M 120.6(4) . .
C34M C33M H33M 119.7 . .
C33M C34M H34M 120.8 . .
C33M C34M C35M 118.5(4) . .
C35M C34M H34M 120.8 . .
C34M C35M H35M 119.8 . .
C34M C35M C36M 120.4(4) . .
C36M C35M H35M 119.8 . .
C31M C36M H36M 118.4 . .
C35M C36M C31M 123.1(4) . .
C35M C36M H36M 118.4 . .
C42M C41M B1M 124.7(3) . .
C46M C41M C42M 114.2(3) . .
C46M C41M B1M 121.1(3) . .
C41M C42M H42M 118.4 . .
C43M C42M C41M 123.3(4) . .
C43M C42M H42M 118.4 . .
C42M C43M H43M 119.9 . .
C44M C43M C42M 120.2(4) . .
C44M C43M H43M 119.9 . .
C43M C44M H44M 120.6 . .
C43M C44M C45M 118.7(4) . .
C45M C44M H44M 120.6 . .
C44M C45M H45M 119.9 . .
C46M C45M C44M 120.2(4) . .
C46M C45M H45M 119.9 . .
C41M C46M H46M 118.3 . .
C45M C46M C41M 123.4(4) . .
C45M C46M H46M 118.3 . .
C21M B1M C11M 109.1(3) . .
C21M B1M C41M 110.3(3) . .
C31M B1M C11M 107.8(3) . .
C31M B1M C21M 110.6(3) . .
C31M B1M C41M 110.1(3) . .
C41M B1M C11M 108.9(3) . .
C12O C11O B11O 122.4(3) . .
C16O C11O C12O 115.4(3) . .
C16O C11O B11O 121.5(3) . .
C11O C12O H12O 119.2 . .
C13O C12O C11O 121.6(4) . .
C13O C12O H12O 119.2 . .
C12O C13O H13O 119.6 . .
C14O C13O C12O 120.8(4) . .
C14O C13O H13O 119.6 . .
C13O C14O H14O 120.2 . .
C13O C14O C15O 119.5(4) . .
C15O C14O H14O 120.2 . .
C14O C15O H15O 120.2 . .
C16O C15O C14O 119.7(4) . .
C16O C15O H15O 120.2 . .
C11O C16O H16O 118.5 . .
C15O C16O C11O 123.0(4) . .
C15O C16O H16O 118.5 . .
C22O C21O C26O 114.3(3) . .
C22O C21O B11O 123.9(3) . .
C26O C21O B11O 121.8(3) . .
C21O C22O H22O 118.5 . .
C23O C22O C21O 123.1(4) . .
C23O C22O H22O 118.5 . .
C22O C23O H23O 119.8 . .
C24O C23O C22O 120.3(4) . .
C24O C23O H23O 119.8 . .
C23O C24O H24O 120.6 . .
C25O C24O C23O 118.8(4) . .
C25O C24O H24O 120.6 . .
C24O C25O H25O 120.0 . .
C24O C25O C26O 120.0(4) . .
C26O C25O H25O 120.0 . .
C21O C26O H26O 118.4 . .
C25O C26O C21O 123.3(4) . .
C25O C26O H26O 118.4 . .
C32O C31O B11O 121.8(3) . .
C36O C31O C32O 115.0(3) . .
C36O C31O B11O 123.2(3) . .
C31O C32O H32O 118.6 . .
C33O C32O C31O 122.8(4) . .
C33O C32O H32O 118.6 . .
C32O C33O H33O 120.0 . .
C34O C33O C32O 120.0(4) . .
C34O C33O H33O 120.0 . .
C33O C34O H34O 120.5 . .
C35O C34O C33O 119.0(4) . .
C35O C34O H34O 120.5 . .
C34O C35O H35O 119.5 . .
C34O C35O C36O 121.0(4) . .
C36O C35O H35O 119.5 . .
C31O C36O H36O 119.0 . .
C35O C36O C31O 122.1(4) . .
C35O C36O H36O 119.0 . .
C42O C41O B11O 118.5(3) . .
C46O C41O C42O 114.5(3) . .
C46O C41O B11O 126.5(3) . .
C41O C42O H42O 118.1 . .
C43O C42O C41O 123.8(4) . .
C43O C42O H42O 118.1 . .
C42O C43O H43O 120.2 . .
C42O C43O C44O 119.6(4) . .
C44O C43O H43O 120.2 . .
C43O C44O H44O 120.6 . .
C45O C44O C43O 118.8(4) . .
C45O C44O H44O 120.6 . .
C44O C45O H45O 119.7 . .
C44O C45O C46O 120.7(4) . .
C46O C45O H45O 119.7 . .
C41O C46O H46O 118.7 . .
C45O C46O C41O 122.7(4) . .
C45O C46O H46O 118.7 . .
C11O B11O C31O 112.2(3) . .
C11O B11O C41O 102.2(3) . .
C21O B11O C11O 112.9(3) . .
C21O B11O C31O 106.7(3) . .
C21O B11O C41O 113.6(3) . .
C31O B11O C41O 109.3(3) . .
C12N C11N C16N 114.5(3) . .
C12N C11N B1N 123.9(3) . .
C16N C11N B1N 121.7(3) . .
C11N C12N H12N 118.2 . .
C13N C12N C11N 123.6(4) . .
C13N C12N H12N 118.2 . .
C12N C13N H13N 120.2 . .
C14N C13N C12N 119.6(4) . .
C14N C13N H13N 120.2 . .
C13N C14N H14N 120.5 . .
C13N C14N C15N 119.1(4) . .
C15N C14N H14N 120.5 . .
C14N C15N H15N 119.7 . .
C16N C15N C14N 120.7(4) . .
C16N C15N H15N 119.7 . .
C11N C16N H16N 118.7 . .
C15N C16N C11N 122.6(4) . .
C15N C16N H16N 118.7 . .
C22N C21N B1N 123.5(3) . .
C26N C21N C22N 114.8(3) . .
C26N C21N B1N 121.4(3) . .
C21N C22N H22N 118.8 . .
C23N C22N C21N 122.4(4) . .
C23N C22N H22N 118.8 . .
C22N C23N H23N 119.9 . .
C24N C23N C22N 120.2(4) . .
C24N C23N H23N 119.9 . .
C23N C24N H24N 120.2 . .
C23N C24N C25N 119.6(4) . .
C25N C24N H24N 120.2 . .
C24N C25N H25N 120.0 . .
C24N C25N C26N 120.0(4) . .
C26N C25N H25N 120.0 . .
C21N C26N H26N 118.5 . .
C25N C26N C21N 123.0(4) . .
C25N C26N H26N 118.5 . .
C32N C31N C36N 114.6(3) . .
C32N C31N B1N 125.5(4) . .
C36N C31N B1N 119.9(3) . .
C31N C32N H32N 118.3 . .
C33N C32N C31N 123.3(4) . .
C33N C32N H32N 118.3 . .
C32N C33N H33N 119.9 . .
C34N C33N C32N 120.2(4) . .
C34N C33N H33N 119.9 . .
C33N C34N H34N 120.6 . .
C33N C34N C35N 118.8(4) . .
C35N C34N H34N 120.6 . .
C34N C35N H35N 120.2 . .
C36N C35N C34N 119.7(4) . .
C36N C35N H35N 120.2 . .
C31N C36N H36N 118.3 . .
C35N C36N C31N 123.4(4) . .
C35N C36N H36N 118.3 . .
C42N C41N C46N 114.6(3) . .
C42N C41N B1N 127.0(3) . .
C46N C41N B1N 118.3(3) . .
C41N C42N H42N 118.4 . .
C43N C42N C41N 123.2(4) . .
C43N C42N H42N 118.4 . .
C42N C43N H43N 119.8 . .
C44N C43N C42N 120.4(4) . .
C44N C43N H43N 119.8 . .
C43N C44N H44N 120.9 . .
C43N C44N C45N 118.2(4) . .
C45N C44N H44N 120.9 . .
C44N C45N H45N 119.8 . .
C46N C45N C44N 120.5(4) . .
C46N C45N H45N 119.8 . .
C41N C46N H46N 118.4 . .
C45N C46N C41N 123.1(4) . .
C45N C46N H46N 118.4 . .
C11N B1N C31N 106.6(3) . .
C11N B1N C41N 109.2(3) . .
C21N B1N C11N 112.4(3) . .
C21N B1N C31N 112.9(3) . .
C21N B1N C41N 103.7(3) . .
C31N B1N C41N 112.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1A C1B1 2.080(4) .
Ag1A C1B2 2.078(4) .
N1A1 N2A1 1.361(4) .
N1A1 C1P 1.434(5) .
N1A1 C3A1 1.349(5) .
N1A2 N2A2 1.348(4) .
N1A2 C1P' 1.438(5) .
N1A2 C3A2 1.336(5) .
N1B1 C1B1 1.363(4) .
N1B1 C1P 1.467(5) .
N1B1 C2B1 1.380(4) .
N1B2 C1B2 1.360(5) .
N1B2 C1P' 1.461(5) .
N1B2 C2B2 1.379(4) .
N1C1 N2C1 1.366(4) .
N1C1 C2P 1.444(5) .
N1C1 C3C1 1.344(5) .
N1C2 N2C2 1.359(4) .
N1C2 C2P' 1.433(5) .
N1C2 C3C2 1.364(5) .
N2A1 C1A1 1.317(5) .
N2A2 C1A2 1.328(5) .
N2B1 C1B1 1.357(5) .
N2B1 C2P 1.458(5) .
N2B1 C3B1 1.381(4) .
N2B2 C1B2 1.351(4) .
N2B2 C2P' 1.461(5) .
N2B2 C3B2 1.383(4) .
N2C1 C1C1 1.309(6) .
N2C2 C1C2 1.320(5) .
C1A1 H1A1 0.9500 .
C1A1 C2A1 1.392(6) .
C1A2 H1A2 0.9500 .
C1A2 C2A2 1.377(7) .
C1C1 H1C1 0.9500 .
C1C1 C2C1 1.356(7) .
C1C2 H1C2 0.9500 .
C1C2 C2C2 1.390(6) .
C1P H1PA 0.9900 .
C1P H1PB 0.9900 .
C1P' H1PC 0.9900 .
C1P' H1PD 0.9900 .
C2A1 H2A1 0.9500 .
C2A1 C3A1 1.355(5) .
C2A2 H2A2 0.9500 .
C2A2 C3A2 1.340(6) .
C2B1 H2B1 0.9500 .
C2B1 C3B1 1.327(5) .
C2B2 H2B2 0.9500 .
C2B2 C3B2 1.337(5) .
C2C1 H2C1 0.9500 .
C2C1 C3C1 1.366(6) .
C2C2 H2C2 0.9500 .
C2C2 C3C2 1.347(6) .
C2P H2PA 0.9900 .
C2P H2PB 0.9900 .
C2P' H2PC 0.9900 .
C2P' H2PD 0.9900 .
C3A1 H3A1 0.9500 .
C3A2 H3A2 0.9500 .
C3B1 H3B1 0.9500 .
C3B2 H3B2 0.9500 .
C3C1 H3C1 0.9500 .
C3C2 H3C2 0.9500 .
Ag1C C1B5 2.074(4) 2_567
Ag1C C1B5 2.074(4) .
N1A5 N2A5 1.342(4) .
N1A5 C1R 1.442(5) .
N1A5 C3A5 1.350(5) .
N1B5 C1B5 1.352(5) .
N1B5 C1R 1.462(5) .
N1B5 C2B5 1.363(5) .
N1C5 N2C5 1.361(5) .
N1C5 C2R 1.438(6) .
N1C5 C3C5 1.332(7) .
N2A5 C1A5 1.331(5) .
N2B5 C1B5 1.351(5) .
N2B5 C2R 1.461(5) .
N2B5 C3B5 1.370(5) .
N2C5 C1C5 1.324(7) .
C1A5 H1A5 0.9500 .
C1A5 C2A5 1.398(6) .
C1C5 H1C5 0.9500 .
C1C5 C2C5 1.391(9) .
C1R H1RA 0.9900 .
C1R H1RB 0.9900 .
C2A5 H2A5 0.9500 .
C2A5 C3A5 1.357(6) .
C2B5 H2B5 0.9500 .
C2B5 C3B5 1.343(6) .
C2C5 H2C5 0.9500 .
C2C5 C3C5 1.368(7) .
C2R H2RA 0.9900 .
C2R H2RB 0.9900 .
C3A5 H3A5 0.9500 .
C3B5 H3B5 0.9500 .
C3C5 H3C5 0.9500 .
Ag1B C1B3 2.078(4) .
Ag1B C1B4 2.070(4) .
N1A3 N2A3 1.353(4) .
N1A3 C1Q 1.426(5) .
N1A3 C3A3 1.359(5) .
N1A4 N2A4 1.350(4) .
N1A4 C1Q' 1.435(5) .
N1A4 C3A4 1.350(5) .
N1B3 C1B3 1.356(4) .
N1B3 C1Q 1.462(5) .
N1B3 C2B3 1.378(5) .
N1B4 C1B4 1.347(4) .
N1B4 C1Q' 1.462(5) .
N1B4 C2B4 1.383(5) .
N1C3 N2C3 1.356(5) .
N1C3 C2Q 1.428(5) .
N1C3 C3C3 1.342(5) .
N1C4 N2C4 1.356(5) .
N1C4 C2Q' 1.436(5) .
N1C4 C3C4 1.334(6) .
N2A3 C1A3 1.319(5) .
N2A4 C1A4 1.314(5) .
N2B3 C1B3 1.353(4) .
N2B3 C2Q 1.455(4) .
N2B3 C3B3 1.372(5) .
N2B4 C1B4 1.348(5) .
N2B4 C2Q' 1.460(5) .
N2B4 C3B4 1.378(5) .
N2C3 C1C3 1.315(6) .
N2C4 C1C4 1.325(7) .
C1A3 H1A3 0.9500 .
C1A3 C2A3 1.394(5) .
C1A4 H1A4 0.9500 .
C1A4 C2A4 1.387(6) .
C1C3 H1C3 0.9500 .
C1C3 C2C3 1.373(8) .
C1C4 H1C4 0.9500 .
C1C4 C2C4 1.373(8) .
C1Q H1Q 0.9500 .
C1Q' H1QA 0.9900 .
C1Q' H1QB 0.9900 .
C2A3 H2A3 0.9500 .
C2A3 C3A3 1.352(6) .
C2A4 H2A4 0.9500 .
C2A4 C3A4 1.344(6) .
C2B3 H2B3 0.9500 .
C2B3 C3B3 1.346(6) .
C2B4 H2B4 0.9500 .
C2B4 C3B4 1.332(5) .
C2C3 H2C3 0.9500 .
C2C3 C3C3 1.367(6) .
C2C4 H2C4 0.9500 .
C2C4 C3C4 1.370(7) .
C2Q H2QA 0.9900 .
C2Q H2QB 0.9900 .
C2Q' H2QC 0.9900 .
C2Q' H2QD 0.9900 .
C3A3 H3A3 0.9500 .
C3A4 H3A4 0.9500 .
C3B3 H3B3 0.9500 .
C3B4 H3B4 0.9500 .
C3C3 H3C3 0.9500 .
C3C4 H3C4 0.9500 .
Ag1D C1B6 2.081(4) 2_668
Ag1D C1B6 2.081(4) .
N1A6 N2A6 1.362(4) .
N1A6 C1S 1.438(5) .
N1A6 C3A6 1.355(5) .
N1B6 C1B6 1.360(5) .
N1B6 C1S 1.458(5) .
N1B6 C2B6 1.381(4) .
N1C6 N2C6 1.359(4) .
N1C6 C2S 1.430(5) .
N1C6 C3C6 1.359(5) .
N2A6 C1A6 1.317(5) .
N2B6 C1B6 1.355(5) .
N2B6 C2S 1.462(5) .
N2B6 C3B6 1.378(4) .
N2C6 C1C6 1.314(5) .
C1A6 H1A6 0.9500 .
C1A6 C2A6 1.375(5) .
C1C6 H1C6 0.9500 .
C1C6 C2C6 1.379(6) .
C1S H1SA 0.9900 .
C1S H1SB 0.9900 .
C2A6 H2A6 0.9500 .
C2A6 C3A6 1.360(5) .
C2B6 H2B6 0.9500 .
C2B6 C3B6 1.332(5) .
C2C6 H2C6 0.9500 .
C2C6 C3C6 1.349(6) .
C2S H2SA 0.9900 .
C2S H2SB 0.9900 .
C3A6 H3A6 0.9500 .
C3B6 H3B6 0.9500 .
C3C6 H3C6 0.9500 .
C11M C12M 1.407(5) .
C11M C16M 1.403(5) .
C11M B1M 1.661(5) .
C12M H12M 0.9500 .
C12M C13M 1.396(5) .
C13M H13M 0.9500 .
C13M C14M 1.388(5) .
C14M H14M 0.9500 .
C14M C15M 1.381(5) .
C15M H15M 0.9500 .
C15M C16M 1.381(5) .
C16M H16M 0.9500 .
C21M C22M 1.398(5) .
C21M C26M 1.407(5) .
C21M B1M 1.641(6) .
C22M H22M 0.9500 .
C22M C23M 1.396(5) .
C23M H23M 0.9500 .
C23M C24M 1.379(7) .
C24M H24M 0.9500 .
C24M C25M 1.376(7) .
C25M H25M 0.9500 .
C25M C26M 1.387(6) .
C26M H26M 0.9500 .
C31M C32M 1.406(5) .
C31M C36M 1.397(5) .
C31M B1M 1.634(6) .
C32M H32M 0.9500 .
C32M C33M 1.386(5) .
C33M H33M 0.9500 .
C33M C34M 1.377(5) .
C34M H34M 0.9500 .
C34M C35M 1.378(5) .
C35M H35M 0.9500 .
C35M C36M 1.393(5) .
C36M H36M 0.9500 .
C41M C42M 1.407(5) .
C41M C46M 1.397(5) .
C41M B1M 1.655(5) .
C42M H42M 0.9500 .
C42M C43M 1.384(5) .
C43M H43M 0.9500 .
C43M C44M 1.376(5) .
C44M H44M 0.9500 .
C44M C45M 1.386(5) .
C45M H45M 0.9500 .
C45M C46M 1.383(5) .
C46M H46M 0.9500 .
C11O C12O 1.407(5) .
C11O C16O 1.397(5) .
C11O B11O 1.643(5) .
C12O H12O 0.9500 .
C12O C13O 1.390(5) .
C13O H13O 0.9500 .
C13O C14O 1.361(6) .
C14O H14O 0.9500 .
C14O C15O 1.379(6) .
C15O H15O 0.9500 .
C15O C16O 1.379(5) .
C16O H16O 0.9500 .
C21O C22O 1.400(5) .
C21O C26O 1.407(5) .
C21O B11O 1.636(5) .
C22O H22O 0.9500 .
C22O C23O 1.386(5) .
C23O H23O 0.9500 .
C23O C24O 1.382(5) .
C24O H24O 0.9500 .
C24O C25O 1.381(5) .
C25O H25O 0.9500 .
C25O C26O 1.385(5) .
C26O H26O 0.9500 .
C31O C32O 1.412(5) .
C31O C36O 1.409(5) .
C31O B11O 1.647(5) .
C32O H32O 0.9500 .
C32O C33O 1.387(5) .
C33O H33O 0.9500 .
C33O C34O 1.383(5) .
C34O H34O 0.9500 .
C34O C35O 1.376(5) .
C35O H35O 0.9500 .
C35O C36O 1.387(5) .
C36O H36O 0.9500 .
C41O C42O 1.403(5) .
C41O C46O 1.395(5) .
C41O B11O 1.649(6) .
C42O H42O 0.9500 .
C42O C43O 1.383(5) .
C43O H43O 0.9500 .
C43O C44O 1.385(5) .
C44O H44O 0.9500 .
C44O C45O 1.376(5) .
C45O H45O 0.9500 .
C45O C46O 1.392(5) .
C46O H46O 0.9500 .
C11N C12N 1.397(5) .
C11N C16N 1.411(5) .
C11N B1N 1.644(5) .
C12N H12N 0.9500 .
C12N C13N 1.395(5) .
C13N H13N 0.9500 .
C13N C14N 1.372(5) .
C14N H14N 0.9500 .
C14N C15N 1.385(5) .
C15N H15N 0.9500 .
C15N C16N 1.379(5) .
C16N H16N 0.9500 .
C21N C22N 1.406(5) .
C21N C26N 1.394(5) .
C21N B1N 1.630(5) .
C22N H22N 0.9500 .
C22N C23N 1.392(5) .
C23N H23N 0.9500 .
C23N C24N 1.363(6) .
C24N H24N 0.9500 .
C24N C25N 1.371(6) .
C25N H25N 0.9500 .
C25N C26N 1.386(5) .
C26N H26N 0.9500 .
C31N C32N 1.391(5) .
C31N C36N 1.405(5) .
C31N B1N 1.645(5) .
C32N H32N 0.9500 .
C32N C33N 1.391(5) .
C33N H33N 0.9500 .
C33N C34N 1.380(5) .
C34N H34N 0.9500 .
C34N C35N 1.392(5) .
C35N H35N 0.9500 .
C35N C36N 1.387(5) .
C36N H36N 0.9500 .
C41N C42N 1.397(5) .
C41N C46N 1.400(5) .
C41N B1N 1.648(6) .
C42N H42N 0.9500 .
C42N C43N 1.384(5) .
C43N H43N 0.9500 .
C43N C44N 1.382(5) .
C44N H44N 0.9500 .
C44N C45N 1.386(5) .
C45N H45N 0.9500 .
C45N C46N 1.380(5) .
C46N H46N 0.9500 .
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
N1A1 N2A1 C1A1 C2A1 0.2(5)
N1A2 N2A2 C1A2 C2A2 -0.5(5)
N1B1 C2B1 C3B1 N2B1 -0.2(4)
N1B2 C2B2 C3B2 N2B2 0.4(4)
N1C1 N2C1 C1C1 C2C1 -0.2(6)
N1C2 N2C2 C1C2 C2C2 0.6(5)
N2A1 N1A1 C1P N1B1 -96.4(4)
N2A1 N1A1 C3A1 C2A1 0.0(5)
N2A1 C1A1 C2A1 C3A1 -0.2(5)
N2A2 N1A2 C1P' N1B2 86.0(4)
N2A2 N1A2 C3A2 C2A2 -0.5(5)
N2A2 C1A2 C2A2 C3A2 0.3(6)
N2C1 N1C1 C2P N2B1 -80.6(4)
N2C1 N1C1 C3C1 C2C1 -2.0(5)
N2C1 C1C1 C2C1 C3C1 -1.0(7)
N2C2 N1C2 C2P' N2B2 78.9(4)
N2C2 N1C2 C3C2 C2C2 -0.1(5)
N2C2 C1C2 C2C2 C3C2 -0.7(6)
C1A1 C2A1 C3A1 N1A1 0.1(5)
C1A2 C2A2 C3A2 N1A2 0.1(6)
C1B1 N1B1 C1P N1A1 71.1(5)
C1B1 N1B1 C2B1 C3B1 0.4(4)
C1B1 N2B1 C2P N1C1 -96.2(4)
C1B1 N2B1 C3B1 C2B1 -0.1(4)
C1B2 N1B2 C1P' N1A2 -97.0(4)
C1B2 N1B2 C2B2 C3B2 -0.8(4)
C1B2 N2B2 C2P' N1C2 104.7(4)
C1B2 N2B2 C3B2 C2B2 0.2(4)
C1C1 C2C1 C3C1 N1C1 1.8(6)
C1C2 C2C2 C3C2 N1C2 0.4(5)
C1P N1A1 N2A1 C1A1 -179.1(4)
C1P N1A1 C3A1 C2A1 178.8(4)
C1P N1B1 C1B1 Ag1A -9.1(5)
C1P N1B1 C1B1 N2B1 174.1(3)
C1P N1B1 C2B1 C3B1 -174.1(3)
C1P' N1A2 N2A2 C1A2 179.2(3)
C1P' N1A2 C3A2 C2A2 -179.0(4)
C1P' N1B2 C1B2 Ag1A 15.6(5)
C1P' N1B2 C1B2 N2B2 -176.2(3)
C1P' N1B2 C2B2 C3B2 176.2(3)
C2B1 N1B1 C1B1 Ag1A 176.3(3)
C2B1 N1B1 C1B1 N2B1 -0.5(4)
C2B1 N1B1 C1P N1A1 -115.0(4)
C2B2 N1B2 C1B2 Ag1A -167.3(3)
C2B2 N1B2 C1B2 N2B2 0.9(4)
C2B2 N1B2 C1P' N1A2 86.3(4)
C2P N1C1 N2C1 C1C1 172.7(4)
C2P N1C1 C3C1 C2C1 -172.4(4)
C2P N2B1 C1B1 Ag1A -0.1(5)
C2P N2B1 C1B1 N1B1 176.7(3)
C2P N2B1 C3B1 C2B1 -176.5(3)
C2P' N1C2 N2C2 C1C2 -176.8(4)
C2P' N1C2 C3C2 C2C2 176.0(4)
C2P' N2B2 C1B2 Ag1A -15.3(5)
C2P' N2B2 C1B2 N1B2 176.8(3)
C2P' N2B2 C3B2 C2B2 -177.2(3)
C3A1 N1A1 N2A1 C1A1 -0.1(4)
C3A1 N1A1 C1P N1B1 84.9(5)
C3A2 N1A2 N2A2 C1A2 0.6(5)
C3A2 N1A2 C1P' N1B2 -95.6(5)
C3B1 N2B1 C1B1 Ag1A -176.4(3)
C3B1 N2B1 C1B1 N1B1 0.4(4)
C3B1 N2B1 C2P N1C1 79.7(4)
C3B2 N2B2 C1B2 Ag1A 167.3(3)
C3B2 N2B2 C1B2 N1B2 -0.7(4)
C3B2 N2B2 C2P' N1C2 -78.3(4)
C3C1 N1C1 N2C1 C1C1 1.3(5)
C3C1 N1C1 C2P N2B1 89.2(5)
C3C2 N1C2 N2C2 C1C2 -0.3(5)
C3C2 N1C2 C2P' N2B2 -96.8(5)
N1A5 N2A5 C1A5 C2A5 0.0(5)
N1B5 C2B5 C3B5 N2B5 -0.9(6)
N1C5 N2C5 C1C5 C2C5 -1.2(7)
N2A5 N1A5 C1R N1B5 -95.7(4)
N2A5 N1A5 C3A5 C2A5 -0.2(5)
N2A5 C1A5 C2A5 C3A5 -0.1(5)
N2C5 N1C5 C2R N2B5 -89.1(5)
N2C5 N1C5 C3C5 C2C5 0.0(6)
N2C5 C1C5 C2C5 C3C5 1.2(7)
C1A5 C2A5 C3A5 N1A5 0.2(5)
C1B5 N1B5 C1R N1A5 74.5(5)
C1B5 N1B5 C2B5 C3B5 0.7(6)
C1B5 N2B5 C2R N1C5 -115.5(4)
C1B5 N2B5 C3B5 C2B5 0.8(6)
C1C5 C2C5 C3C5 N1C5 -0.7(6)
C1R N1A5 N2A5 C1A5 178.4(4)
C1R N1A5 C3A5 C2A5 -178.3(4)
C1R N1B5 C1B5 Ag1C -6.5(6)
C1R N1B5 C1B5 N2B5 179.3(3)
C1R N1B5 C2B5 C3B5 -178.8(4)
C2B5 N1B5 C1B5 Ag1C 174.0(3)
C2B5 N1B5 C1B5 N2B5 -0.2(5)
C2B5 N1B5 C1R N1A5 -106.0(5)
C2R N1C5 N2C5 C1C5 178.5(4)
C2R N1C5 C3C5 C2C5 -177.5(4)
C2R N2B5 C1B5 Ag1C 8.7(6)
C2R N2B5 C1B5 N1B5 -177.1(4)
C2R N2B5 C3B5 C2B5 177.6(4)
C3A5 N1A5 N2A5 C1A5 0.1(5)
C3A5 N1A5 C1R N1B5 82.3(5)
C3B5 N2B5 C1B5 Ag1C -174.5(3)
C3B5 N2B5 C1B5 N1B5 -0.3(5)
C3B5 N2B5 C2R N1C5 68.1(6)
C3C5 N1C5 N2C5 C1C5 0.7(6)
C3C5 N1C5 C2R N2B5 88.3(6)
N1A3 N2A3 C1A3 C2A3 -0.4(5)
N1A4 N2A4 C1A4 C2A4 -0.4(5)
N1B3 C2B3 C3B3 N2B3 0.1(5)
N1B4 C2B4 C3B4 N2B4 -0.4(5)
N1C3 N2C3 C1C3 C2C3 0.5(7)
N1C4 N2C4 C1C4 C2C4 -1.4(6)
N2A3 N1A3 C1Q N1B3 93.0(4)
N2A3 N1A3 C3A3 C2A3 1.1(5)
N2A3 C1A3 C2A3 C3A3 1.0(5)
N2A4 N1A4 C1Q' N1B4 -97.3(4)
N2A4 N1A4 C3A4 C2A4 -0.8(5)
N2A4 C1A4 C2A4 C3A4 0.0(6)
N2C3 N1C3 C2Q N2B3 86.5(4)
N2C3 N1C3 C3C3 C2C3 0.2(5)
N2C3 C1C3 C2C3 C3C3 -0.4(7)
N2C4 N1C4 C2Q' N2B4 -95.1(4)
N2C4 N1C4 C3C4 C2C4 -0.3(6)
N2C4 C1C4 C2C4 C3C4 1.2(7)
C1A3 C2A3 C3A3 N1A3 -1.2(5)
C1A4 C2A4 C3A4 N1A4 0.5(5)
C1B3 N1B3 C1Q N1A3 -72.2(5)
C1B3 N1B3 C2B3 C3B3 -0.2(5)
C1B3 N2B3 C2Q N1C3 118.5(4)
C1B3 N2B3 C3B3 C2B3 0.1(5)
C1B4 N1B4 C1Q' N1A4 82.4(5)
C1B4 N1B4 C2B4 C3B4 0.2(5)
C1B4 N2B4 C2Q' N1C4 -113.6(4)
C1B4 N2B4 C3B4 C2B4 0.4(5)
C1C3 C2C3 C3C3 N1C3 0.1(6)
C1C4 C2C4 C3C4 N1C4 -0.5(6)
C1Q N1A3 N2A3 C1A3 -175.5(3)
C1Q N1A3 C3A3 C2A3 175.7(4)
C1Q N1B3 C1B3 Ag1B 4.9(5)
C1Q N1B3 C1B3 N2B3 -179.3(3)
C1Q N1B3 C2B3 C3B3 179.3(3)
C1Q' N1A4 N2A4 C1A4 175.8(3)
C1Q' N1A4 C3A4 C2A4 -175.4(4)
C1Q' N1B4 C1B4 Ag1B -4.4(6)
C1Q' N1B4 C1B4 N2B4 179.4(3)
C1Q' N1B4 C2B4 C3B4 -179.2(4)
C2B3 N1B3 C1B3 Ag1B -175.5(3)
C2B3 N1B3 C1B3 N2B3 0.3(4)
C2B3 N1B3 C1Q N1A3 108.2(4)
C2B4 N1B4 C1B4 Ag1B 176.2(3)
C2B4 N1B4 C1B4 N2B4 0.0(4)
C2B4 N1B4 C1Q' N1A4 -98.3(4)
C2Q N1C3 N2C3 C1C3 -176.5(4)
C2Q N1C3 C3C3 C2C3 175.8(4)
C2Q N2B3 C1B3 Ag1B -9.0(5)
C2Q N2B3 C1B3 N1B3 175.1(3)
C2Q N2B3 C3B3 C2B3 -175.3(3)
C2Q' N1C4 N2C4 C1C4 176.4(4)
C2Q' N1C4 C3C4 C2C4 -175.1(4)
C2Q' N2B4 C1B4 Ag1B 3.7(6)
C2Q' N2B4 C1B4 N1B4 179.7(3)
C2Q' N2B4 C3B4 C2B4 -179.6(4)
C3A3 N1A3 N2A3 C1A3 -0.4(4)
C3A3 N1A3 C1Q N1B3 -81.3(5)
C3A4 N1A4 N2A4 C1A4 0.7(5)
C3A4 N1A4 C1Q' N1B4 76.9(5)
C3B3 N2B3 C1B3 Ag1B 175.6(3)
C3B3 N2B3 C1B3 N1B3 -0.3(4)
C3B3 N2B3 C2Q N1C3 -66.7(5)
C3B4 N2B4 C1B4 Ag1B -176.2(3)
C3B4 N2B4 C1B4 N1B4 -0.2(4)
C3B4 N2B4 C2Q' N1C4 66.3(5)
C3C3 N1C3 N2C3 C1C3 -0.4(6)
C3C3 N1C3 C2Q N2B3 -88.8(5)
C3C4 N1C4 N2C4 C1C4 1.0(5)
C3C4 N1C4 C2Q' N2B4 79.4(5)
N1A6 N2A6 C1A6 C2A6 0.6(5)
N1B6 C2B6 C3B6 N2B6 0.4(4)
N1C6 N2C6 C1C6 C2C6 0.1(5)
N2A6 N1A6 C1S N1B6 -85.7(4)
N2A6 N1A6 C3A6 C2A6 0.6(5)
N2A6 C1A6 C2A6 C3A6 -0.2(5)
N2C6 N1C6 C2S N2B6 -84.0(4)
N2C6 N1C6 C3C6 C2C6 0.3(5)
N2C6 C1C6 C2C6 C3C6 0.1(6)
C1A6 C2A6 C3A6 N1A6 -0.2(5)
C1B6 N1B6 C1S N1A6 77.2(5)
C1B6 N1B6 C2B6 C3B6 0.3(4)
C1B6 N2B6 C2S N1C6 -108.0(4)
C1B6 N2B6 C3B6 C2B6 -0.9(4)
C1C6 C2C6 C3C6 N1C6 -0.2(5)
C1S N1A6 N2A6 C1A6 -179.1(3)
C1S N1A6 C3A6 C2A6 178.8(4)
C1S N1B6 C1B6 Ag1D -6.7(5)
C1S N1B6 C1B6 N2B6 177.4(3)
C1S N1B6 C2B6 C3B6 -177.9(3)
C2B6 N1B6 C1B6 Ag1D 175.1(3)
C2B6 N1B6 C1B6 N2B6 -0.8(4)
C2B6 N1B6 C1S N1A6 -104.8(4)
C2S N1C6 N2C6 C1C6 176.6(4)
C2S N1C6 C3C6 C2C6 -176.2(4)
C2S N2B6 C1B6 Ag1D 3.7(5)
C2S N2B6 C1B6 N1B6 179.3(3)
C2S N2B6 C3B6 C2B6 -179.2(3)
C3A6 N1A6 N2A6 C1A6 -0.7(4)
C3A6 N1A6 C1S N1B6 96.1(5)
C3B6 N2B6 C1B6 Ag1D -174.6(3)
C3B6 N2B6 C1B6 N1B6 1.0(4)
C3B6 N2B6 C2S N1C6 70.0(5)
C3C6 N1C6 N2C6 C1C6 -0.3(5)
C3C6 N1C6 C2S N2B6 92.2(5)
C11M C12M C13M C14M 0.0(5)
C12M C11M C16M C15M -0.8(5)
C12M C11M B1M C21M -156.6(3)
C12M C11M B1M C31M -36.5(4)
C12M C11M B1M C41M 83.0(4)
C12M C13M C14M C15M -1.8(5)
C13M C14M C15M C16M 2.2(6)
C14M C15M C16M C11M -0.9(6)
C16M C11M C12M C13M 1.3(5)
C16M C11M B1M C21M 25.1(5)
C16M C11M B1M C31M 145.2(3)
C16M C11M B1M C41M -95.3(4)
C21M C22M C23M C24M -2.1(6)
C22M C21M C26M C25M -0.2(6)
C22M C21M B1M C11M -76.7(4)
C22M C21M B1M C31M 164.8(3)
C22M C21M B1M C41M 42.9(5)
C22M C23M C24M C25M 1.2(7)
C23M C24M C25M C26M 0.1(7)
C24M C25M C26M C21M -0.6(7)
C26M C21M C22M C23M 1.6(6)
C26M C21M B1M C11M 102.1(4)
C26M C21M B1M C31M -16.3(5)
C26M C21M B1M C41M -138.3(4)
C31M C32M C33M C34M -0.6(6)
C32M C31M C36M C35M -0.8(5)
C32M C31M B1M C11M -51.1(4)
C32M C31M B1M C21M 68.1(4)
C32M C31M B1M C41M -169.8(3)
C32M C33M C34M C35M -0.3(6)
C33M C34M C35M C36M 0.7(6)
C34M C35M C36M C31M -0.1(6)
C36M C31M C32M C33M 1.1(6)
C36M C31M B1M C11M 131.3(4)
C36M C31M B1M C21M -109.5(4)
C36M C31M B1M C41M 12.6(5)
C41M C42M C43M C44M -2.1(6)
C42M C41M C46M C45M -0.8(6)
C42M C41M B1M C11M 139.4(4)
C42M C41M B1M C21M 19.7(5)
C42M C41M B1M C31M -102.5(4)
C42M C43M C44M C45M 1.3(6)
C43M C44M C45M C46M -0.4(6)
C44M C45M C46M C41M 0.2(6)
C46M C41M C42M C43M 1.7(5)
C46M C41M B1M C11M -42.3(5)
C46M C41M B1M C21M -162.0(3)
C46M C41M B1M C31M 75.7(4)
B1M C11M C12M C13M -177.2(3)
B1M C11M C16M C15M 177.6(3)
B1M C21M C22M C23M -179.5(4)
B1M C21M C26M C25M -179.1(4)
B1M C31M C32M C33M -176.7(4)
B1M C31M C36M C35M 177.0(3)
B1M C41M C42M C43M -179.9(4)
B1M C41M C46M C45M -179.2(4)
C11O C12O C13O C14O -2.6(7)
C12O C11O C16O C15O 1.1(6)
C12O C11O B11O C21O -148.8(3)
C12O C11O B11O C31O -28.2(5)
C12O C11O B11O C41O 88.8(4)
C12O C13O C14O C15O 2.7(8)
C13O C14O C15O C16O -1.0(7)
C14O C15O C16O C11O -0.9(7)
C16O C11O C12O C13O 0.6(6)
C16O C11O B11O C21O 41.3(5)
C16O C11O B11O C31O 162.0(3)
C16O C11O B11O C41O -81.1(4)
C21O C22O C23O C24O -1.0(6)
C22O C21O C26O C25O -3.7(5)
C22O C21O B11O C11O 18.9(5)
C22O C21O B11O C31O -104.8(4)
C22O C21O B11O C41O 134.7(4)
C22O C23O C24O C25O -1.6(6)
C23O C24O C25O C26O 1.4(6)
C24O C25O C26O C21O 1.3(6)
C26O C21O C22O C23O 3.5(5)
C26O C21O B11O C11O -162.3(3)
C26O C21O B11O C31O 74.0(4)
C26O C21O B11O C41O -46.5(5)
C31O C32O C33O C34O 1.8(5)
C32O C31O C36O C35O 1.6(5)
C32O C31O B11O C11O -39.3(5)
C32O C31O B11O C21O 84.9(4)
C32O C31O B11O C41O -151.9(3)
C32O C33O C34O C35O -0.3(5)
C33O C34O C35O C36O -0.5(5)
C34O C35O C36O C31O -0.2(5)
C36O C31O C32O C33O -2.3(5)
C36O C31O B11O C11O 142.2(3)
C36O C31O B11O C21O -93.6(4)
C36O C31O B11O C41O 29.6(5)
C41O C42O C43O C44O 0.9(6)
C42O C41O C46O C45O 1.1(5)
C42O C41O B11O C11O -62.3(4)
C42O C41O B11O C21O 175.8(3)
C42O C41O B11O C31O 56.8(4)
C42O C43O C44O C45O 1.2(6)
C43O C44O C45O C46O -2.0(6)
C44O C45O C46O C41O 0.8(6)
C46O C41O C42O C43O -2.0(5)
C46O C41O B11O C11O 108.9(4)
C46O C41O B11O C21O -13.0(5)
C46O C41O B11O C31O -132.1(4)
B11O C11O C12O C13O -169.8(4)
B11O C11O C16O C15O 171.6(4)
B11O C21O C22O C23O -177.6(4)
B11O C21O C26O C25O 177.4(3)
B11O C31O C32O C33O 179.1(3)
B11O C31O C36O C35O -179.8(3)
B11O C41O C42O C43O 170.2(3)
B11O C41O C46O C45O -170.3(3)
C11N C12N C13N C14N -0.6(6)
C12N C11N C16N C15N 2.3(5)
C12N C11N B1N C21N -138.3(4)
C12N C11N B1N C31N 97.4(4)
C12N C11N B1N C41N -23.9(5)
C12N C13N C14N C15N 1.4(6)
C13N C14N C15N C16N -0.3(6)
C14N C15N C16N C11N -1.7(6)
C16N C11N C12N C13N -1.2(5)
C16N C11N B1N C21N 43.7(5)
C16N C11N B1N C31N -80.6(4)
C16N C11N B1N C41N 158.1(3)
C21N C22N C23N C24N 0.9(7)
C22N C21N C26N C25N 0.8(6)
C22N C21N B1N C11N 19.2(5)
C22N C21N B1N C31N 139.8(4)
C22N C21N B1N C41N -98.6(4)
C22N C23N C24N C25N -0.3(7)
C23N C24N C25N C26N 0.0(7)
C24N C25N C26N C21N -0.3(7)
C26N C21N C22N C23N -1.1(6)
C26N C21N B1N C11N -168.3(3)
C26N C21N B1N C31N -47.7(5)
C26N C21N B1N C41N 73.9(4)
C31N C32N C33N C34N 1.5(6)
C32N C31N C36N C35N 2.6(5)
C32N C31N B1N C11N 112.3(4)
C32N C31N B1N C21N -11.6(5)
C32N C31N B1N C41N -128.2(4)
C32N C33N C34N C35N 0.8(6)
C33N C34N C35N C36N -1.2(6)
C34N C35N C36N C31N -0.6(6)
C36N C31N C32N C33N -3.1(6)
C36N C31N B1N C11N -65.2(4)
C36N C31N B1N C21N 170.9(3)
C36N C31N B1N C41N 54.2(4)
C41N C42N C43N C44N 0.2(6)
C42N C41N C46N C45N 0.1(5)
C42N C41N B1N C11N 123.1(4)
C42N C41N B1N C21N -116.9(4)
C42N C41N B1N C31N 5.2(5)
C42N C43N C44N C45N 0.4(6)
C43N C44N C45N C46N -0.8(6)
C44N C45N C46N C41N 0.5(6)
C46N C41N C42N C43N -0.5(5)
C46N C41N B1N C11N -60.7(4)
C46N C41N B1N C21N 59.3(4)
C46N C41N B1N C31N -178.6(3)
B1N C11N C12N C13N -179.3(3)
B1N C11N C16N C15N -179.5(3)
B1N C21N C22N C23N 171.9(4)
B1N C21N C26N C25N -172.3(4)
B1N C31N C32N C33N 179.2(4)
B1N C31N C36N C35N -179.5(3)
B1N C41N C42N C43N 175.8(3)
B1N C41N C46N C45N -176.5(3)
