#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/91/7219149.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_7219149
loop_
_publ_author_name
'Liu, Qing-Xiang'
'Zhao, Zhi-Xiang'
'Zhao, Xiao-Jun'
'Wei, Qing'
'Chen, Ai-Hui'
'Li, Hui-Long'
'Wang, Xiu-Guang'
_publ_section_title
;
 Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of
 nitrate anion
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1358
_journal_paper_doi               10.1039/C4CE01519C
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C38 H42 Ag Cr N4 O5.5'
_chemical_formula_weight         802.63
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-10-31 deposited with the CCDC.
2014-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 102.500(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.840(4)
_cell_length_b                   13.647(5)
_cell_length_c                   25.631(9)
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.84
_cell_measurement_theta_min      2.43
_cell_volume                     3702(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0749
_diffrn_reflns_av_sigmaI/netI    0.0789
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            17003
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.63
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.871
_exptl_absorpt_correction_T_max  0.8805
_exptl_absorpt_correction_T_min  0.8315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1652
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.790
_refine_diff_density_min         -0.971
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         6469
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0603
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0875P)²+4.0706P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1639
_refine_ls_wR_factor_ref         0.1718
_reflns_number_gt                5400
_reflns_number_total             6469
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01519c2.cif
_cod_data_source_block           n100518b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7219144--7219151.cif.
;
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C38 H42 Ag Cr N4 O5.50'
_cod_database_code               7219149
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.31128(3) 0.44300(3) 0.186468(13) 0.04253(17) Uani 1 1 d . . .
Cr1 Cr 0.09478(7) 0.97160(6) 0.06326(3) 0.0437(2) Uani 1 1 d . . .
N1 N 0.4432(3) 0.5118(3) 0.30103(15) 0.0439(9) Uani 1 1 d D . .
N2 N 0.2369(3) 0.5148(3) 0.29230(14) 0.0374(8) Uani 1 1 d . . .
N3 N 0.2141(3) 0.3209(3) 0.08216(14) 0.0345(8) Uani 1 1 d . . .
N4 N 0.4002(3) 0.3850(3) 0.08205(14) 0.0392(9) Uani 1 1 d . . .
O1 O 0.1168(3) 0.6177(3) 0.18513(12) 0.0451(8) Uani 1 1 d . . .
O2 O 0.0325(3) 0.4971(2) 0.09211(12) 0.0400(7) Uani 1 1 d . . .
O3 O 0.0197(5) 0.9055(5) 0.0988(2) 0.0984(18) Uani 1 1 d . . .
O4 O 0.1428(8) 1.0690(3) 0.0943(2) 0.117(3) Uani 1 1 d . . .
O5 O 0.2161(6) 0.9137(5) 0.0548(2) 0.1022(19) Uani 1 1 d . . .
O6 O -0.0092(11) 1.0265(7) 0.0084(3) 0.068(3) Uani 0.50 1 d P . .
C1 C 0.4212(5) 0.5392(4) 0.3515(2) 0.0472(12) Uani 1 1 d . A .
C2 C 0.2891(5) 0.5412(3) 0.34614(18) 0.0432(11) Uani 1 1 d . A .
C3 C 0.2332(6) 0.5622(4) 0.3897(2) 0.0567(15) Uani 1 1 d . . .
H3 H 0.1462 0.5635 0.3867 0.068 Uiso 1 1 calc R A .
C4 C 0.3200(8) 0.5809(5) 0.4383(2) 0.075(2) Uani 1 1 d . A .
H4 H 0.2880 0.5947 0.4684 0.090 Uiso 1 1 calc R . .
C5 C 0.4491(7) 0.5799(5) 0.4439(2) 0.078(2) Uani 1 1 d . . .
H5 H 0.5004 0.5928 0.4773 0.094 Uiso 1 1 calc R A .
C6 C 0.5057(7) 0.5599(4) 0.4006(2) 0.0660(17) Uani 1 1 d . A .
H6 H 0.5929 0.5603 0.4040 0.079 Uiso 1 1 calc R . .
C7 C 0.3319(4) 0.4951(4) 0.26578(16) 0.0404(10) Uani 1 1 d . A .
C8 C 0.5754(11) 0.4909(13) 0.2979(10) 0.050(3) Uani 0.476(8) 1 d PD A 1
H8A H 0.6316 0.5087 0.3314 0.060 Uiso 0.476(8) 1 calc PR A 1
H8B H 0.5976 0.5301 0.2697 0.060 Uiso 0.476(8) 1 calc PR A 1
C9 C 0.5917(13) 0.3832(11) 0.2866(6) 0.084(3) Uani 0.476(8) 1 d PD A 1
H9A H 0.5985 0.3816 0.2495 0.101 Uiso 0.476(8) 1 calc PR A 1
H9B H 0.6754 0.3674 0.3071 0.101 Uiso 0.476(8) 1 calc PR A 1
C10 C 0.5143(14) 0.2952(11) 0.2926(6) 0.086(3) Uani 0.476(8) 1 d PD A 1
H10A H 0.4802 0.2720 0.2565 0.104 Uiso 0.476(8) 1 calc PR A 1
H10B H 0.4428 0.3195 0.3059 0.104 Uiso 0.476(8) 1 calc PR A 1
C11 C 0.560(9) 0.2038(18) 0.3255(12) 0.105(7) Uani 0.476(8) 1 d PD A 1
H11A H 0.6427 0.1865 0.3211 0.158 Uiso 0.476(8) 1 calc PR A 1
H11B H 0.5026 0.1506 0.3136 0.158 Uiso 0.476(8) 1 calc PR A 1
H11C H 0.5624 0.2168 0.3625 0.158 Uiso 0.476(8) 1 calc PR A 1
C8' C 0.5621(11) 0.4830(13) 0.2852(8) 0.050(3) Uani 0.524(8) 1 d PD A 2
H8'1 H 0.6221 0.5366 0.2925 0.060 Uiso 0.524(8) 1 calc PR A 2
H8'2 H 0.5448 0.4698 0.2471 0.060 Uiso 0.524(8) 1 calc PR A 2
C9' C 0.6191(12) 0.3925(11) 0.3155(6) 0.084(3) Uani 0.524(8) 1 d PD A 2
H9'1 H 0.6782 0.3673 0.2954 0.101 Uiso 0.524(8) 1 calc PR A 2
H9'2 H 0.6702 0.4172 0.3487 0.101 Uiso 0.524(8) 1 calc PR A 2
C10' C 0.5549(13) 0.3049(10) 0.3309(6) 0.086(3) Uani 0.524(8) 1 d PD A 2
H10C H 0.4666 0.3231 0.3259 0.104 Uiso 0.524(8) 1 calc PR A 2
H10D H 0.5859 0.2983 0.3692 0.104 Uiso 0.524(8) 1 calc PR A 2
C11' C 0.555(8) 0.2014(16) 0.3086(11) 0.105(7) Uani 0.524(8) 1 d PD A 2
H11D H 0.5806 0.2034 0.2751 0.158 Uiso 0.524(8) 1 calc PR A 2
H11E H 0.4711 0.1745 0.3033 0.158 Uiso 0.524(8) 1 calc PR A 2
H11F H 0.6122 0.1612 0.3334 0.158 Uiso 0.524(8) 1 calc PR A 2
C12 C 0.1015(4) 0.4951(4) 0.27093(18) 0.0415(10) Uani 1 1 d . A .
H12A H 0.0701 0.4571 0.2973 0.050 Uiso 1 1 calc R . .
H12B H 0.0941 0.4543 0.2394 0.050 Uiso 1 1 calc R . .
C13 C 0.0149(4) 0.5843(4) 0.25594(18) 0.0392(10) Uani 1 1 d . . .
C14 C 0.0208(4) 0.6418(4) 0.21104(18) 0.0398(10) Uani 1 1 d . A .
C15 C -0.0666(5) 0.7182(4) 0.19438(19) 0.0472(11) Uani 1 1 d . . .
H15 H -0.0627 0.7562 0.1647 0.057 Uiso 1 1 calc R A .
C16 C -0.1608(5) 0.7354(4) 0.2241(2) 0.0515(13) Uani 1 1 d . A .
H16 H -0.2198 0.7849 0.2133 0.062 Uiso 1 1 calc R . .
C17 C -0.1666(4) 0.6804(4) 0.2687(2) 0.0526(13) Uani 1 1 d . . .
H17 H -0.2286 0.6933 0.2878 0.063 Uiso 1 1 calc R A .
C18 C -0.0792(4) 0.6052(4) 0.2852(2) 0.0470(12) Uani 1 1 d . A .
H18 H -0.0827 0.5688 0.3155 0.056 Uiso 1 1 calc R . .
C19 C 0.1081(5) 0.6516(4) 0.13073(17) 0.0436(11) Uani 1 1 d . . .
H19A H 0.1882 0.6400 0.1207 0.052 Uiso 1 1 calc R . .
H19B H 0.0928 0.7216 0.1292 0.052 Uiso 1 1 calc R . .
C20 C 0.0045(4) 0.6012(4) 0.09096(17) 0.0389(10) Uani 1 1 d . . .
H20A H -0.0764 0.6123 0.1003 0.047 Uiso 1 1 calc R . .
H20B H 0.0005 0.6272 0.0554 0.047 Uiso 1 1 calc R . .
C21 C -0.0510(4) 0.4385(3) 0.05769(18) 0.0338(10) Uani 1 1 d . . .
C22 C -0.0232(4) 0.3367(3) 0.06041(16) 0.0336(9) Uani 1 1 d . . .
C23 C -0.1072(4) 0.2719(4) 0.02830(18) 0.0406(10) Uani 1 1 d . . .
H23 H -0.0906 0.2050 0.0306 0.049 Uiso 1 1 calc R . .
C24 C -0.2151(4) 0.3060(4) -0.0070(2) 0.0458(11) Uani 1 1 d . . .
H24 H -0.2699 0.2622 -0.0282 0.055 Uiso 1 1 calc R . .
C25 C -0.2399(4) 0.4051(4) -0.01026(19) 0.0457(11) Uani 1 1 d . . .
H25 H -0.3114 0.4277 -0.0341 0.055 Uiso 1 1 calc R . .
C26 C -0.1592(4) 0.4729(4) 0.02189(18) 0.0410(10) Uani 1 1 d . . .
H26 H -0.1773 0.5396 0.0194 0.049 Uiso 1 1 calc R . .
C27 C 0.0938(4) 0.2980(3) 0.09888(17) 0.0371(10) Uani 1 1 d . . .
H27A H 0.0972 0.3259 0.1340 0.045 Uiso 1 1 calc R . .
H27B H 0.0863 0.2275 0.1019 0.045 Uiso 1 1 calc R . .
C28 C 0.2494(4) 0.2862(3) 0.03559(17) 0.0360(10) Uani 1 1 d . . .
C29 C 0.3680(4) 0.3280(4) 0.03525(17) 0.0402(10) Uani 1 1 d . . .
C30 C 0.4301(5) 0.3090(5) -0.00710(19) 0.0532(14) Uani 1 1 d . . .
H30 H 0.5089 0.3358 -0.0072 0.064 Uiso 1 1 calc R . .
C31 C 0.3697(5) 0.2495(5) -0.0480(2) 0.0588(15) Uani 1 1 d . . .
H31 H 0.4067 0.2384 -0.0770 0.071 Uiso 1 1 calc R . .
C32 C 0.2536(5) 0.2052(4) -0.0470(2) 0.0529(13) Uani 1 1 d . . .
H32 H 0.2175 0.1630 -0.0746 0.064 Uiso 1 1 calc R . .
C33 C 0.1902(4) 0.2223(4) -0.00576(17) 0.0412(10) Uani 1 1 d . . .
H33 H 0.1128 0.1931 -0.0056 0.049 Uiso 1 1 calc R . .
C34 C 0.3061(4) 0.3804(4) 0.11081(17) 0.0390(10) Uani 1 1 d . . .
C35 C 0.5236(5) 0.4309(4) 0.1020(2) 0.0543(14) Uani 1 1 d . . .
H35A H 0.5149 0.4832 0.1266 0.065 Uiso 1 1 calc R . .
H35B H 0.5535 0.4594 0.0724 0.065 Uiso 1 1 calc R . .
C36 C 0.6219(5) 0.3549(5) 0.1311(2) 0.0603(15) Uani 1 1 d . . .
H36A H 0.5864 0.3204 0.1575 0.072 Uiso 1 1 calc R . .
H36B H 0.6376 0.3072 0.1053 0.072 Uiso 1 1 calc R . .
C37 C 0.7470(5) 0.4011(6) 0.1587(2) 0.0696(17) Uani 1 1 d . . .
H37A H 0.7839 0.4346 0.1324 0.083 Uiso 1 1 calc R . .
H37B H 0.7318 0.4493 0.1844 0.083 Uiso 1 1 calc R . .
C38 C 0.8392(6) 0.3246(7) 0.1872(3) 0.086(2) Uani 1 1 d . . .
H38A H 0.8106 0.3003 0.2177 0.129 Uiso 1 1 calc R . .
H38B H 0.9212 0.3537 0.1987 0.129 Uiso 1 1 calc R . .
H38C H 0.8441 0.2715 0.1632 0.129 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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'
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
C34 Ag1 C7 173.90(17) . .
O4 Cr1 O5 107.1(4) . .
O4 Cr1 O3 109.7(3) . .
O5 Cr1 O3 109.4(3) . .
O4 Cr1 O6 97.4(4) . .
O5 Cr1 O6 120.4(4) . .
O3 Cr1 O6 111.8(5) . .
O4 Cr1 O6 121.5(4) . 3_575
O5 Cr1 O6 97.0(4) . 3_575
O3 Cr1 O6 110.9(5) . 3_575
O6 Cr1 O6 28.0(5) . 3_575
C7 N1 C1 110.5(4) . .
C7 N1 C8 131.4(9) . .
C1 N1 C8 117.2(10) . .
C7 N1 C8' 118.1(8) . .
C1 N1 C8' 130.3(8) . .
C8 N1 C8' 13.3(16) . .
C7 N2 C2 110.2(4) . .
C7 N2 C12 124.8(4) . .
C2 N2 C12 124.2(4) . .
C34 N3 C28 110.7(3) . .
C34 N3 C27 123.4(3) . .
C28 N3 C27 125.9(4) . .
C34 N4 C29 110.7(4) . .
C34 N4 C35 123.7(4) . .
C29 N4 C35 125.0(4) . .
C14 O1 C19 119.0(4) . .
C21 O2 C20 116.8(3) . .
O6 O6 Cr1 82.4(13) 3_575 .
O6 O6 Cr1 69.6(11) 3_575 3_575
Cr1 O6 Cr1 152.0(5) . 3_575
C2 C1 C6 122.1(5) . .
C2 C1 N1 106.5(4) . .
C6 C1 N1 131.3(5) . .
C1 C2 C3 121.9(5) . .
C1 C2 N2 105.9(4) . .
C3 C2 N2 132.2(5) . .
C2 C3 C4 114.6(6) . .
C2 C3 H3 122.7 . .
C4 C3 H3 122.7 . .
C5 C4 C3 124.0(6) . .
C5 C4 H4 118.0 . .
C3 C4 H4 118.0 . .
C4 C5 C6 121.8(5) . .
C4 C5 H5 119.1 . .
C6 C5 H5 119.1 . .
C5 C6 C1 115.6(6) . .
C5 C6 H6 122.2 . .
C1 C6 H6 122.2 . .
N1 C7 N2 106.9(4) . .
N1 C7 Ag1 125.9(3) . .
N2 C7 Ag1 127.1(3) . .
N1 C8 C9 110.6(11) . .
N1 C8 H8A 109.5 . .
C9 C8 H8A 109.5 . .
N1 C8 H8B 109.5 . .
C9 C8 H8B 109.5 . .
H8A C8 H8B 108.1 . .
C10 C9 C8 132.0(13) . .
C10 C9 H9A 104.2 . .
C8 C9 H9A 104.2 . .
C10 C9 H9B 104.2 . .
C8 C9 H9B 104.2 . .
H9A C9 H9B 105.6 . .
C9 C10 C11 126(4) . .
C9 C10 H10A 105.7 . .
C11 C10 H10A 105.7 . .
C9 C10 H10B 105.7 . .
C11 C10 H10B 105.7 . .
H10A C10 H10B 106.2 . .
N1 C8' C9' 110.9(11) . .
N1 C8' H8'1 109.5 . .
C9' C8' H8'1 109.5 . .
N1 C8' H8'2 109.5 . .
C9' C8' H8'2 109.5 . .
H8'1 C8' H8'2 108.0 . .
C10' C9' C8' 129.2(12) . .
C10' C9' H9'1 105.0 . .
C8' C9' H9'1 105.0 . .
C10' C9' H9'2 105.0 . .
C8' C9' H9'2 105.0 . .
H9'1 C9' H9'2 105.9 . .
C9' C10' C11' 128(3) . .
C9' C10' H10C 105.4 . .
C11' C10' H10C 105.4 . .
C9' C10' H10D 105.4 . .
C11' C10' H10D 105.4 . .
H10C C10' H10D 106.0 . .
C10' C11' H11D 109.5 . .
C10' C11' H11E 109.5 . .
H11D C11' H11E 109.5 . .
C10' C11' H11F 109.5 . .
H11D C11' H11F 109.5 . .
H11E C11' H11F 109.5 . .
N2 C12 C13 116.9(4) . .
N2 C12 H12A 108.1 . .
C13 C12 H12A 108.1 . .
N2 C12 H12B 108.1 . .
C13 C12 H12B 108.1 . .
H12A C12 H12B 107.3 . .
C14 C13 C18 119.0(4) . .
C14 C13 C12 120.9(4) . .
C18 C13 C12 119.9(4) . .
O1 C14 C13 115.5(4) . .
O1 C14 C15 123.6(4) . .
C13 C14 C15 120.9(4) . .
C14 C15 C16 118.3(5) . .
C14 C15 H15 120.9 . .
C16 C15 H15 120.9 . .
C17 C16 C15 121.4(5) . .
C17 C16 H16 119.3 . .
C15 C16 H16 119.3 . .
C16 C17 C18 119.9(4) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C17 C18 C13 120.4(5) . .
C17 C18 H18 119.8 . .
C13 C18 H18 119.8 . .
O1 C19 C20 112.8(4) . .
O1 C19 H19A 109.0 . .
C20 C19 H19A 109.0 . .
O1 C19 H19B 109.0 . .
C20 C19 H19B 109.0 . .
H19A C19 H19B 107.8 . .
O2 C20 C19 108.1(4) . .
O2 C20 H20A 110.1 . .
C19 C20 H20A 110.1 . .
O2 C20 H20B 110.1 . .
C19 C20 H20B 110.1 . .
H20A C20 H20B 108.4 . .
O2 C21 C26 124.4(4) . .
O2 C21 C22 115.7(4) . .
C26 C21 C22 119.8(4) . .
C23 C22 C21 119.0(4) . .
C23 C22 C27 120.4(4) . .
C21 C22 C27 120.6(4) . .
C24 C23 C22 121.2(5) . .
C24 C23 H23 119.4 . .
C22 C23 H23 119.4 . .
C25 C24 C23 119.5(5) . .
C25 C24 H24 120.3 . .
C23 C24 H24 120.3 . .
C24 C25 C26 121.4(4) . .
C24 C25 H25 119.3 . .
C26 C25 H25 119.3 . .
C21 C26 C25 119.1(5) . .
C21 C26 H26 120.4 . .
C25 C26 H26 120.4 . .
N3 C27 C22 113.5(3) . .
N3 C27 H27A 108.9 . .
C22 C27 H27A 108.9 . .
N3 C27 H27B 108.9 . .
C22 C27 H27B 108.9 . .
H27A C27 H27B 107.7 . .
C29 C28 N3 106.5(4) . .
C29 C28 C33 120.8(4) . .
N3 C28 C33 132.7(4) . .
N4 C29 C28 106.1(4) . .
N4 C29 C30 132.9(4) . .
C28 C29 C30 121.0(4) . .
C31 C30 C29 117.8(5) . .
C31 C30 H30 121.1 . .
C29 C30 H30 121.1 . .
C30 C31 C32 121.4(5) . .
C30 C31 H31 119.3 . .
C32 C31 H31 119.3 . .
C33 C32 C31 122.1(5) . .
C33 C32 H32 118.9 . .
C31 C32 H32 118.9 . .
C32 C33 C28 116.8(5) . .
C32 C33 H33 121.6 . .
C28 C33 H33 121.6 . .
N3 C34 N4 106.1(4) . .
N3 C34 Ag1 127.2(3) . .
N4 C34 Ag1 126.6(3) . .
N4 C35 C36 111.1(5) . .
N4 C35 H35A 109.4 . .
C36 C35 H35A 109.4 . .
N4 C35 H35B 109.4 . .
C36 C35 H35B 109.4 . .
H35A C35 H35B 108.0 . .
C37 C36 C35 113.3(6) . .
C37 C36 H36A 108.9 . .
C35 C36 H36A 108.9 . .
C37 C36 H36B 108.9 . .
C35 C36 H36B 108.9 . .
H36A C36 H36B 107.7 . .
C38 C37 C36 111.5(6) . .
C38 C37 H37A 109.3 . .
C36 C37 H37A 109.3 . .
C38 C37 H37B 109.3 . .
C36 C37 H37B 109.3 . .
H37A C37 H37B 108.0 . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C34 2.109(4) .
Ag1 C7 2.119(4) .
Cr1 O4 1.578(5) .
Cr1 O5 1.588(5) .
Cr1 O3 1.621(5) .
Cr1 O6 1.768(10) .
Cr1 O6 1.869(9) 3_575
N1 C7 1.361(6) .
N1 C1 1.416(6) .
N1 C8 1.479(9) .
N1 C8' 1.485(9) .
N2 C7 1.378(6) .
N2 C2 1.420(6) .
N2 C12 1.476(6) .
N3 C34 1.370(6) .
N3 C28 1.412(5) .
N3 C27 1.492(5) .
N4 C34 1.383(5) .
N4 C29 1.408(6) .
N4 C35 1.466(6) .
O1 C14 1.390(5) .
O1 C19 1.453(5) .
O2 C21 1.376(5) .
O2 C20 1.452(6) .
O6 O6 0.886(16) 3_575
O6 Cr1 1.870(9) 3_575
C1 C2 1.409(8) .
C1 C6 1.415(7) .
C2 C3 1.411(7) .
C3 C4 1.412(9) .
C3 H3 0.9300 .
C4 C5 1.376(11) .
C4 H4 0.9300 .
C5 C6 1.406(10) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C8 C9 1.517(10) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.492(10) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.527(10) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C8' C9' 1.517(10) .
C8' H8'1 0.9700 .
C8' H8'2 0.9700 .
C9' C10' 1.479(9) .
C9' H9'1 0.9700 .
C9' H9'2 0.9700 .
C10' C11' 1.524(10) .
C10' H10C 0.9700 .
C10' H10D 0.9700 .
C11' H11D 0.9600 .
C11' H11E 0.9600 .
C11' H11F 0.9600 .
C12 C13 1.535(7) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.406(7) .
C13 C18 1.419(7) .
C14 C15 1.411(7) .
C15 C16 1.420(7) .
C15 H15 0.9300 .
C16 C17 1.381(8) .
C16 H16 0.9300 .
C17 C18 1.398(8) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.509(7) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C26 1.404(6) .
C21 C22 1.421(6) .
C22 C23 1.401(7) .
C22 C27 1.523(6) .
C23 C24 1.395(7) .
C23 H23 0.9300 .
C24 C25 1.378(8) .
C24 H24 0.9300 .
C25 C26 1.411(7) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.408(6) .
C28 C33 1.414(7) .
C29 C30 1.420(6) .
C30 C31 1.375(8) .
C30 H30 0.9300 .
C31 C32 1.401(8) .
C31 H31 0.9300 .
C32 C33 1.400(7) .
C32 H32 0.9300 .
C33 H33 0.9300 .
C35 C36 1.556(8) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 C37 1.524(8) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C38 1.518(10) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O4 Cr1 O6 O6 151.5(17) . 3_575
O5 Cr1 O6 O6 36.7(19) . 3_575
O3 Cr1 O6 O6 -93.8(17) . 3_575
O4 Cr1 O6 Cr1 151.5(17) . 3_575
O5 Cr1 O6 Cr1 36.7(19) . 3_575
O3 Cr1 O6 Cr1 -93.8(17) . 3_575
O6 Cr1 O6 Cr1 -0.001(3) 3_575 3_575
C7 N1 C1 C2 -1.3(6) . .
C8 N1 C1 C2 -171.8(9) . .
C8' N1 C1 C2 -169.2(10) . .
C7 N1 C1 C6 177.2(6) . .
C8 N1 C1 C6 6.8(12) . .
C8' N1 C1 C6 9.3(13) . .
C6 C1 C2 C3 -1.3(8) . .
N1 C1 C2 C3 177.4(5) . .
C6 C1 C2 N2 -178.7(5) . .
N1 C1 C2 N2 0.0(5) . .
C7 N2 C2 C1 1.3(5) . .
C12 N2 C2 C1 171.6(4) . .
C7 N2 C2 C3 -175.7(5) . .
C12 N2 C2 C3 -5.4(8) . .
C1 C2 C3 C4 0.2(8) . .
N2 C2 C3 C4 176.9(5) . .
C2 C3 C4 C5 0.4(9) . .
C3 C4 C5 C6 0.1(11) . .
C4 C5 C6 C1 -1.2(10) . .
C2 C1 C6 C5 1.7(8) . .
N1 C1 C6 C5 -176.6(6) . .
C1 N1 C7 N2 2.1(6) . .
C8 N1 C7 N2 170.8(11) . .
C8' N1 C7 N2 171.7(8) . .
C1 N1 C7 Ag1 -175.6(3) . .
C8 N1 C7 Ag1 -6.9(13) . .
C8' N1 C7 Ag1 -6.0(9) . .
C2 N2 C7 N1 -2.1(5) . .
C12 N2 C7 N1 -172.4(4) . .
C2 N2 C7 Ag1 175.5(3) . .
C12 N2 C7 Ag1 5.3(7) . .
C34 Ag1 C7 N1 43.5(19) . .
C34 Ag1 C7 N2 -133.7(16) . .
C7 N1 C8 C9 -55(2) . .
C1 N1 C8 C9 112.6(15) . .
C8' N1 C8 C9 -59(5) . .
N1 C8 C9 C10 -19(3) . .
C8 C9 C10 C11 -123(3) . .
C7 N1 C8' C9' -106.9(13) . .
C1 N1 C8' C9' 60.2(17) . .
C8 N1 C8' C9' 70(6) . .
N1 C8' C9' C10' 38(2) . .
C8' C9' C10' C11' 110(3) . .
C7 N2 C12 C13 -110.4(5) . .
C2 N2 C12 C13 80.7(6) . .
N2 C12 C13 C14 71.0(6) . .
N2 C12 C13 C18 -113.8(5) . .
C19 O1 C14 C13 161.7(4) . .
C19 O1 C14 C15 -18.1(6) . .
C18 C13 C14 O1 178.9(4) . .
C12 C13 C14 O1 -5.8(6) . .
C18 C13 C14 C15 -1.2(7) . .
C12 C13 C14 C15 174.1(4) . .
O1 C14 C15 C16 179.8(4) . .
C13 C14 C15 C16 0.0(7) . .
C14 C15 C16 C17 0.9(7) . .
C15 C16 C17 C18 -0.6(8) . .
C16 C17 C18 C13 -0.7(8) . .
C14 C13 C18 C17 1.6(7) . .
C12 C13 C18 C17 -173.7(4) . .
C14 O1 C19 C20 -69.5(5) . .
C21 O2 C20 C19 -179.1(3) . .
O1 C19 C20 O2 -61.3(5) . .
C20 O2 C21 C26 0.5(6) . .
C20 O2 C21 C22 -178.6(3) . .
O2 C21 C22 C23 177.1(3) . .
C26 C21 C22 C23 -2.1(6) . .
O2 C21 C22 C27 -1.0(6) . .
C26 C21 C22 C27 179.9(4) . .
C21 C22 C23 C24 1.6(6) . .
C27 C22 C23 C24 179.7(4) . .
C22 C23 C24 C25 -0.2(7) . .
C23 C24 C25 C26 -0.8(7) . .
O2 C21 C26 C25 -178.0(4) . .
C22 C21 C26 C25 1.1(6) . .
C24 C25 C26 C21 0.3(7) . .
C34 N3 C27 C22 115.5(5) . .
C28 N3 C27 C22 -64.0(6) . .
C23 C22 C27 N3 109.1(4) . .
C21 C22 C27 N3 -72.8(5) . .
C34 N3 C28 C29 -1.1(5) . .
C27 N3 C28 C29 178.5(4) . .
C34 N3 C28 C33 178.4(5) . .
C27 N3 C28 C33 -2.0(7) . .
C34 N4 C29 C28 -0.4(5) . .
C35 N4 C29 C28 171.0(4) . .
C34 N4 C29 C30 179.6(5) . .
C35 N4 C29 C30 -9.0(8) . .
N3 C28 C29 N4 0.9(5) . .
C33 C28 C29 N4 -178.7(4) . .
N3 C28 C29 C30 -179.1(4) . .
C33 C28 C29 C30 1.3(7) . .
N4 C29 C30 C31 -179.1(5) . .
C28 C29 C30 C31 0.9(7) . .
C29 C30 C31 C32 -2.9(8) . .
C30 C31 C32 C33 2.9(9) . .
C31 C32 C33 C28 -0.6(7) . .
C29 C28 C33 C32 -1.5(7) . .
N3 C28 C33 C32 179.1(5) . .
C28 N3 C34 N4 0.8(5) . .
C27 N3 C34 N4 -178.8(4) . .
C28 N3 C34 Ag1 -174.6(3) . .
C27 N3 C34 Ag1 5.8(6) . .
C29 N4 C34 N3 -0.2(5) . .
C35 N4 C34 N3 -171.8(4) . .
C29 N4 C34 Ag1 175.2(3) . .
C35 N4 C34 Ag1 3.6(6) . .
C7 Ag1 C34 N3 107.5(17) . .
C7 Ag1 C34 N4 -67.0(19) . .
C34 N4 C35 C36 91.6(6) . .
C29 N4 C35 C36 -78.8(6) . .
N4 C35 C36 C37 -172.8(4) . .
C35 C36 C37 C38 179.2(5) . .
