# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_rm
_database_code_depnum_ccdc_archive 'CCDC 2023398'
loop_
_audit_author_name
_audit_author_address
'Kumar Biradha'
;Indian Institute of Technology Kharagpur
India
;
_audit_update_record             
;
2020-08-14 deposited with the CCDC.	2020-09-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H26 Ag N5 O7'
_chemical_formula_weight         604.37

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   8.7630(6)
_cell_length_b                   12.9801(9)
_cell_length_c                   43.998(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.4275(19)
_cell_angle_gamma                90
_cell_volume                     4995.6(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4673
_cell_measurement_theta_min      1.855
_cell_measurement_theta_max      25.494

_exptl_crystal_description       needle
_exptl_crystal_colour            white
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_F_000             2464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_absorpt_coefficient_mu    0.861
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.813
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APex-2 CCD'
_diffrn_measurement_method       hemisphere
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29851
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_theta_min         1.855
_diffrn_reflns_theta_max         25.494
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4673
_reflns_number_gt                4065
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0516P)²+15.6097P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4673
_refine_ls_number_parameters     361
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0410
_refine_ls_wR_factor_ref         0.1090
_refine_ls_wR_factor_gt          0.1050
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.00710(3) 0.62875(2) 0.00819(2) 0.02647(12) Uani 1 1 d . . . . .
N100 N 0.7844(3) 0.5021(2) 0.05305(6) 0.0253(7) Uani 1 1 d . . . . .
O103 O 0.8137(3) 0.5970(2) 0.05320(6) 0.0365(7) Uani 1 1 d . . . . .
O102 O 0.7604(3) 0.4581(2) 0.07742(6) 0.0376(7) Uani 1 1 d . . . . .
O101 O 0.7809(3) 0.4540(2) 0.02827(6) 0.0360(7) Uani 1 1 d . . . . .
N11 N 1.1882(4) 0.6555(2) 0.04243(7) 0.0244(7) Uani 1 1 d . . . . .
N12 N 1.3281(5) 0.6936(3) 0.15005(8) 0.0456(10) Uani 1 1 d . . . . .
H12 H 1.3347 0.6285 0.1535 0.055 Uiso 1 1 calc R U . . .
C11 C 1.2680(5) 0.6968(3) 0.09447(8) 0.0293(9) Uani 1 1 d . . . . .
C12 C 1.1560(5) 0.6789(3) 0.07120(8) 0.0259(8) Uani 1 1 d . . . . .
H12A H 1.0539 0.6833 0.0758 0.031 Uiso 1 1 calc R U . . .
C13 C 1.3343(5) 0.6482(3) 0.03609(8) 0.0268(8) Uani 1 1 d . . . . .
H13 H 1.3574 0.6329 0.0162 0.032 Uiso 1 1 calc R U . . .
C14 C 1.4533(5) 0.6622(3) 0.05778(9) 0.0317(9) Uani 1 1 d . . . . .
H14 H 1.5543 0.6556 0.0527 0.038 Uiso 1 1 calc R U . . .
C15 C 1.4192(5) 0.6863(3) 0.08721(9) 0.0342(10) Uani 1 1 d . . . . .
H15 H 1.4976 0.6954 0.1022 0.041 Uiso 1 1 calc R U . . .
C16 C 1.2222(6) 0.7288(3) 0.12563(9) 0.0401(11) Uani 1 1 d . . . . .
H16A H 1.2157 0.8033 0.1264 0.048 Uiso 1 1 calc R U . . .
H16B H 1.1214 0.7014 0.1288 0.048 Uiso 1 1 calc R U . . .
N21 N 2.3352(3) 0.8761(2) 0.47132(7) 0.0227(7) Uani 1 1 d . . . . .
N22 N 2.2269(4) 0.8526(2) 0.36495(7) 0.0297(8) Uani 1 1 d . . . . .
H22 H 2.2412 0.7874 0.3669 0.036 Uiso 1 1 calc R U . . .
C21 C 2.2602(4) 0.9032(3) 0.41871(8) 0.0233(8) Uani 1 1 d . . . . .
C22 C 2.3695(4) 0.8909(3) 0.44236(8) 0.0236(8) Uani 1 1 d . . . . .
H22A H 2.4720 0.8930 0.4380 0.028 Uiso 1 1 calc R U . . .
C23 C 2.1862(5) 0.8718(3) 0.47746(8) 0.0260(8) Uani 1 1 d . . . . .
H23 H 2.1607 0.8619 0.4975 0.031 Uiso 1 1 calc R U . . .
C24 C 2.0707(5) 0.8817(3) 0.45492(9) 0.0274(8) Uani 1 1 d . . . . .
H24 H 1.9689 0.8773 0.4597 0.033 Uiso 1 1 calc R U . . .
C25 C 2.1080(5) 0.8980(3) 0.42536(8) 0.0267(8) Uani 1 1 d . . . . .
H25 H 2.0314 0.9055 0.4100 0.032 Uiso 1 1 calc R U . . .
C26 C 2.3086(5) 0.9210(3) 0.38671(8) 0.0281(8) Uani 1 1 d . . . . .
H26A H 2.2885 0.9920 0.3809 0.034 Uiso 1 1 calc R U . . .
H26B H 2.4177 0.9090 0.3861 0.034 Uiso 1 1 calc R U . . .
O31 O 2.1028(4) 0.9775(2) 0.33756(7) 0.0453(8) Uani 1 1 d . . . . .
O32 O 1.4184(4) 0.8510(2) 0.16368(7) 0.0428(8) Uani 1 1 d . . . . .
C30 C 1.6998(7) 0.7147(4) 0.23694(10) 0.0558(15) Uani 1 1 d . . . . .
C31 C 1.7805(5) 0.7813(3) 0.25653(9) 0.0375(10) Uani 1 1 d . . . . .
H31 H 1.7712 0.8519 0.2533 0.045 Uiso 1 1 calc R U . . .
C32 C 1.8755(6) 0.7462(3) 0.28105(10) 0.0451(12) Uani 1 1 d . . . . .
C36A C 1.6024(6) 0.7575(3) 0.21130(10) 0.0459(12) Uani 1 1 d . . . . .
H36A H 1.6063 0.8285 0.2085 0.055 Uiso 1 1 calc R U . . .
C37A C 1.5106(6) 0.7053(3) 0.19196(10) 0.0491(13) Uani 1 1 d . . . . .
H37A H 1.5052 0.6340 0.1937 0.059 Uiso 1 1 calc R U . . .
C38A C 1.4164(5) 0.7574(3) 0.16761(9) 0.0391(11) Uani 1 1 d . . . . .
C36B C 1.9580(5) 0.8215(3) 0.30058(8) 0.0314(9) Uani 1 1 d . . . . .
H36B H 1.9378 0.8906 0.2964 0.038 Uiso 1 1 calc R U . . .
C37B C 2.0583(5) 0.8023(3) 0.32362(9) 0.0350(10) Uani 1 1 d . . . . .
H37B H 2.0833 0.7342 0.3282 0.042 Uiso 1 1 calc R U . . .
C38B C 2.1317(5) 0.8851(3) 0.34226(8) 0.0291(9) Uani 1 1 d . . . . .
C33 C 1.9251(13) 0.6440(7) 0.2811(2) 0.033(2) Uani 0.5 1 d . . P A 1
H33 H 2.0020 0.6206 0.2949 0.039 Uiso 0.5 1 calc R U P A 1
C34 C 1.8548(12) 0.5794(6) 0.2598(2) 0.041(2) Uani 0.5 1 d . . P A 1
H34 H 1.8741 0.5090 0.2611 0.049 Uiso 0.5 1 calc R U P A 1
C35 C 1.7577(12) 0.6153(7) 0.2368(2) 0.035(2) Uani 0.5 1 d . . P A 1
H35 H 1.7296 0.5719 0.2205 0.042 Uiso 0.5 1 calc R U P A 1
C33' C 1.8504(12) 0.6388(7) 0.2902(2) 0.031(2) Uani 0.5 1 d . . P A 2
H33' H 1.8974 0.6152 0.3084 0.037 Uiso 0.5 1 calc R U P A 2
C34' C 1.7581(11) 0.5704(6) 0.27250(17) 0.0313(18) Uani 0.5 1 d . . P A 2
H34' H 1.7546 0.5012 0.2778 0.038 Uiso 0.5 1 calc R U P A 2
C35' C 1.6726(12) 0.6057(6) 0.2473(2) 0.0323(19) Uani 0.5 1 d . . P A 2
H35' H 1.6007 0.5637 0.2370 0.039 Uiso 0.5 1 calc R U P A 2
O1W O 2.1993(5) 0.6448(2) 0.38115(8) 0.0614(11) Uani 1 1 d . . . . .
O2W O 1.2294(4) 1.0195(3) 0.16245(9) 0.0644(10) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N21 2.148(3) 8_365 ?
Ag1 N11 2.150(3) . ?
N100 O102 1.244(4) . ?
N100 O103 1.258(4) . ?
N100 O101 1.255(4) . ?
N11 C13 1.330(5) . ?
N11 C12 1.348(5) . ?
N12 C38A 1.346(6) . ?
N12 C16 1.451(5) . ?
C11 C15 1.388(6) . ?
C11 C12 1.395(5) . ?
C11 C16 1.510(5) . ?
C13 C14 1.383(5) . ?
C14 C15 1.382(6) . ?
N21 C22 1.340(5) . ?
N21 C23 1.350(5) . ?
N21 Ag1 2.148(3) 8_666 ?
N22 C38B 1.331(5) . ?
N22 C26 1.461(5) . ?
C21 C22 1.382(5) . ?
C21 C25 1.384(5) . ?
C21 C26 1.512(5) . ?
C23 C24 1.380(5) . ?
C24 C25 1.376(5) . ?
O31 C38B 1.241(5) . ?
O32 C38A 1.228(5) . ?
C30 C31 1.385(6) . ?
C30 C35 1.387(10) . ?
C30 C36A 1.481(6) . ?
C30 C35' 1.509(10) . ?
C31 C32 1.399(6) . ?
C32 C33 1.397(11) . ?
C32 C36B 1.464(6) . ?
C32 C33' 1.472(11) . ?
C36A C37A 1.323(6) . ?
C37A C38A 1.477(6) . ?
C36B C37B 1.325(6) . ?
C37B C38B 1.475(5) . ?
C33 C34 1.376(13) . ?
C34 C35 1.366(12) . ?
C33' C34' 1.404(13) . ?
C34' C35' 1.379(11) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N21 Ag1 N11 171.48(11) 8_365 . ?
O102 N100 O103 119.3(3) . . ?
O102 N100 O101 121.6(3) . . ?
O103 N100 O101 119.1(3) . . ?
C13 N11 C12 118.1(3) . . ?
C13 N11 Ag1 121.4(2) . . ?
C12 N11 Ag1 120.5(3) . . ?
C38A N12 C16 123.5(4) . . ?
C15 C11 C12 117.0(4) . . ?
C15 C11 C16 123.1(4) . . ?
C12 C11 C16 119.9(4) . . ?
N11 C12 C11 123.3(4) . . ?
N11 C13 C14 122.8(4) . . ?
C15 C14 C13 118.7(4) . . ?
C14 C15 C11 120.1(3) . . ?
N12 C16 C11 113.1(3) . . ?
C22 N21 C23 118.1(3) . . ?
C22 N21 Ag1 122.3(3) . 8_666 ?
C23 N21 Ag1 119.4(2) . 8_666 ?
C38B N22 C26 124.1(3) . . ?
C22 C21 C25 117.9(3) . . ?
C22 C21 C26 119.9(3) . . ?
C25 C21 C26 122.2(3) . . ?
N21 C22 C21 123.2(4) . . ?
N21 C23 C24 121.9(3) . . ?
C25 C24 C23 119.2(4) . . ?
C24 C25 C21 119.6(3) . . ?
N22 C26 C21 111.3(3) . . ?
C31 C30 C35 114.3(5) . . ?
C31 C30 C36A 119.3(4) . . ?
C35 C30 C36A 122.6(5) . . ?
C31 C30 C35' 118.8(5) . . ?
C36A C30 C35' 119.2(5) . . ?
C30 C31 C32 122.4(4) . . ?
C33 C32 C31 118.8(5) . . ?
C33 C32 C36B 119.3(5) . . ?
C31 C32 C36B 119.1(4) . . ?
C31 C32 C33' 115.3(5) . . ?
C36B C32 C33' 123.3(5) . . ?
C37A C36A C30 126.7(4) . . ?
C36A C37A C38A 121.6(4) . . ?
O32 C38A N12 122.7(4) . . ?
O32 C38A C37A 122.9(4) . . ?
N12 C38A C37A 114.3(4) . . ?
C37B C36B C32 127.2(4) . . ?
C36B C37B C38B 122.3(4) . . ?
O31 C38B N22 122.9(4) . . ?
O31 C38B C37B 122.2(4) . . ?
N22 C38B C37B 114.8(3) . . ?
C34 C33 C32 116.8(8) . . ?
C35 C34 C33 122.2(8) . . ?
C34 C35 C30 121.7(8) . . ?
C34' C33' C32 122.6(7) . . ?
C35' C34' C33' 120.2(8) . . ?
C34' C35' C30 117.7(7) . . ?

_refine_diff_density_max         0.740
_refine_diff_density_min         -0.502
_refine_diff_density_rms         0.088

