# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_compound10
_database_code_depnum_ccdc_archive 'CCDC 1037722'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C19 H43 Ag N2 Si3'
_chemical_formula_weight         491.69

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8059(4)
_cell_length_b                   11.9323(4)
_cell_length_c                   11.9508(4)
_cell_angle_alpha                72.469(2)
_cell_angle_beta                 75.151(2)
_cell_angle_gamma                70.359(2)
_cell_volume                     1363.09(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9975
_cell_measurement_theta_min      3.94
_cell_measurement_theta_max      67.45

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             520
_exptl_absorpt_coefficient_mu    7.218
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5153
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17563
_diffrn_reflns_av_R_equivalents  0.0178
_diffrn_reflns_av_sigmaI/netI    0.0148
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.94
_diffrn_reflns_theta_max         67.93
_reflns_number_total             4817
_reflns_number_gt                4696
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0465P)²+0.5686P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4817
_refine_ls_number_parameters     228
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0273
_refine_ls_wR_factor_ref         0.0742
_refine_ls_wR_factor_gt          0.0737
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.621874(14) 0.885642(13) 0.720850(13) 0.03760(7) Uani 1 1 d . H .
Si1 Si 0.80295(6) 0.71174(5) 0.68007(6) 0.03891(14) Uani 1 1 d . . .
Si2 Si 0.99770(7) 0.71660(7) 0.72724(7) 0.04992(17) Uani 1 1 d . H .
Si3 Si 0.75668(9) 0.53013(7) 0.79872(7) 0.05580(19) Uani 1 1 d . A .
N1 N 0.35363(19) 1.04610(19) 0.84903(18) 0.0433(4) Uani 1 1 d . H .
N2 N 0.45416(19) 1.16251(17) 0.70819(17) 0.0377(4) Uani 1 1 d . H .
C1 C 0.4624(2) 1.0432(2) 0.7618(2) 0.0359(5) Uani 1 1 d . . .
C2 C 0.2801(3) 1.1645(3) 0.8492(3) 0.0584(7) Uani 1 1 d . . .
H2 H 0.1997 1.1902 0.9019 0.070 Uiso 1 1 calc R H .
C3 C 0.3423(3) 1.2374(2) 0.7617(3) 0.0550(6) Uani 1 1 d . H .
H3 H 0.3145 1.3244 0.7405 0.066 Uiso 1 1 calc R . .
C4 C 0.3186(3) 0.9345(3) 0.9311(2) 0.0538(6) Uani 1 1 d . . .
C5 C 0.4295(3) 0.8610(3) 1.0029(3) 0.0616(7) Uani 1 1 d . H .
H5A H 0.5134 0.8372 0.9487 0.092 Uiso 1 1 calc R . .
H5B H 0.4075 0.7873 1.0562 0.092 Uiso 1 1 calc R . .
H5C H 0.4390 0.9110 1.0502 0.092 Uiso 1 1 calc R . .
C6 C 0.3039(5) 0.8583(4) 0.8561(4) 0.0981(15) Uani 1 1 d . H .
H6A H 0.2338 0.9070 0.8086 0.147 Uiso 1 1 calc R . .
H6B H 0.2799 0.7852 0.9085 0.147 Uiso 1 1 calc R . .
H6C H 0.3885 0.8336 0.8030 0.147 Uiso 1 1 calc R . .
C7 C 0.1907(4) 0.9739(4) 1.0188(4) 0.1101(18) Uani 1 1 d . H .
H7A H 0.2036 1.0259 1.0622 0.165 Uiso 1 1 calc R . .
H7B H 0.1700 0.9012 1.0755 0.165 Uiso 1 1 calc R . .
H7C H 0.1169 1.0199 0.9749 0.165 Uiso 1 1 calc R . .
C8 C 0.5530(2) 1.2058(2) 0.6050(2) 0.0409(5) Uani 1 1 d . . .
C9 C 0.5615(3) 1.1516(3) 0.5021(2) 0.0538(6) Uani 1 1 d . H .
H9A H 0.5940 1.0622 0.5260 0.081 Uiso 1 1 calc R . .
H9B H 0.6231 1.1826 0.4330 0.081 Uiso 1 1 calc R . .
H9C H 0.4728 1.1753 0.4810 0.081 Uiso 1 1 calc R . .
C10 C 0.6879(3) 1.1666(3) 0.6442(3) 0.0534(6) Uani 1 1 d . H .
H10A H 0.6780 1.1970 0.7145 0.080 Uiso 1 1 calc R . .
H10B H 0.7514 1.2006 0.5794 0.080 Uiso 1 1 calc R . .
H10C H 0.7209 1.0770 0.6640 0.080 Uiso 1 1 calc R . .
C11 C 0.5062(3) 1.3457(2) 0.5661(3) 0.0564(7) Uani 1 1 d . H .
H11A H 0.4169 1.3714 0.5458 0.085 Uiso 1 1 calc R . .
H11B H 0.5683 1.3745 0.4963 0.085 Uiso 1 1 calc R . .
H11C H 0.5033 1.3808 0.6314 0.085 Uiso 1 1 calc R . .
C12 C 1.0317(3) 0.8693(3) 0.6615(3) 0.0672(8) Uani 1 1 d . . .
H12A H 1.1188 0.8645 0.6758 0.101 Uiso 1 1 calc R H .
H12B H 0.9622 0.9311 0.6988 0.101 Uiso 1 1 calc R . .
H12C H 1.0318 0.8921 0.5756 0.101 Uiso 1 1 calc R . .
C13 C 1.1502(4) 0.5993(4) 0.6735(5) 0.1037(16) Uani 1 1 d . . .
H13A H 1.1635 0.6153 0.5865 0.156 Uiso 1 1 calc R H .
H13B H 1.1382 0.5173 0.7089 0.156 Uiso 1 1 calc R . .
H13C H 1.2283 0.6041 0.6971 0.156 Uiso 1 1 calc R . .
C14 C 0.9817(5) 0.6894(4) 0.8928(3) 0.0897(12) Uani 1 1 d . . .
H14A H 1.0554 0.7079 0.9105 0.135 Uiso 1 1 calc R H .
H14B H 0.9845 0.6036 0.9304 0.135 Uiso 1 1 calc R . .
H14C H 0.8967 0.7426 0.9240 0.135 Uiso 1 1 calc R . .
C15 C 0.6906(2) 0.53636(16) 0.95794(16) 0.0741(9) Uani 1 1 d . . .
H15A H 0.6101 0.6054 0.9627 0.111 Uiso 1 1 calc R H .
H15B H 0.7583 0.5471 0.9918 0.111 Uiso 1 1 calc R . .
H15C H 0.6689 0.4599 1.0028 0.111 Uiso 1 1 calc R . .
C16 C 0.6299(3) 0.5049(3) 0.73707(18) 0.134(2) Uani 1 1 d R A 3
H16A H 0.6182 0.4234 0.7768 0.201 Uiso 1 1 d R B 3
H16B H 0.6597 0.5107 0.6514 0.201 Uiso 1 1 d R C 3
H16C H 0.5449 0.5672 0.7504 0.201 Uiso 1 1 d R D 3
C17 C 0.9065(3) 0.3921(2) 0.80223(16) 0.118(2) Uani 1 1 d R A 3
H17A H 0.8940 0.3310 0.8770 0.177 Uiso 1 1 calc R E 3
H17B H 0.9864 0.4164 0.7966 0.177 Uiso 1 1 calc R F 3
H17C H 0.9173 0.3569 0.7349 0.177 Uiso 1 1 calc R G 3
C18 C 0.8469(3) 0.69529(17) 0.51810(16) 0.0558(6) Uani 1 1 d R H 3
H18A H 0.9302 0.6283 0.5089 0.067 Uiso 1 1 calc R I 3
H18B H 0.7749 0.6724 0.5009 0.067 Uiso 1 1 calc R J 3
C19 C 0.8653(4) 0.8139(3) 0.4272(3) 0.0765(10) Uani 1 1 d . H 3
H19A H 0.7855 0.8819 0.4396 0.115 Uiso 1 1 calc R H 3
H19B H 0.8792 0.8034 0.3462 0.115 Uiso 1 1 calc R H 3
H19C H 0.9430 0.8320 0.4379 0.115 Uiso 1 1 calc R H 3


_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 C1 2.165(2) . ?
Ag1 Si1 2.4006(6) . ?
Si1 C18 1.9251(19) . ?
Si1 Si2 2.3366(10) . ?
Si1 Si3 2.3389(9) . ?
Si2 C12 1.873(3) . ?
Si2 C14 1.878(4) . ?
Si2 C13 1.880(4) . ?
Si3 C16 1.854(2) . ?
Si3 C15 1.8679(19) . ?
Si3 C17 1.881(2) . ?
N1 C1 1.355(3) . ?
N1 C2 1.369(4) . ?
N1 C4 1.497(3) . ?
N2 C1 1.357(3) . ?
N2 C3 1.375(3) . ?
N2 C8 1.497(3) . ?
C2 C3 1.336(4) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.519(4) . ?
C4 C6 1.522(5) . ?
C4 C7 1.532(5) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.524(3) . ?
C8 C10 1.524(3) . ?
C8 C11 1.531(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9801 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9799 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.542(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?

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
C1 Ag1 Si1 177.98(6) . . ?
C18 Si1 Si2 106.47(8) . . ?
C18 Si1 Si3 106.37(6) . . ?
Si2 Si1 Si3 106.72(4) . . ?
C18 Si1 Ag1 116.03(7) . . ?
Si2 Si1 Ag1 110.36(3) . . ?
Si3 Si1 Ag1 110.39(3) . . ?
C12 Si2 C14 106.03(18) . . ?
C12 Si2 C13 106.78(18) . . ?
C14 Si2 C13 108.3(2) . . ?
C12 Si2 Si1 112.23(10) . . ?
C14 Si2 Si1 110.28(14) . . ?
C13 Si2 Si1 112.89(17) . . ?
C16 Si3 C15 109.06(12) . . ?
C16 Si3 C17 108.68(10) . . ?
C15 Si3 C17 105.25(10) . . ?
C16 Si3 Si1 107.31(10) . . ?
C15 Si3 Si1 112.73(7) . . ?
C17 Si3 Si1 113.71(11) . . ?
C1 N1 C2 110.5(2) . . ?
C1 N1 C4 124.1(2) . . ?
C2 N1 C4 125.4(2) . . ?
C1 N2 C3 110.4(2) . . ?
C1 N2 C8 124.52(19) . . ?
C3 N2 C8 125.1(2) . . ?
N1 C1 N2 104.7(2) . . ?
N1 C1 Ag1 128.50(17) . . ?
N2 C1 Ag1 126.68(16) . . ?
C3 C2 N1 107.5(2) . . ?
C3 C2 H2 126.3 . . ?
N1 C2 H2 126.3 . . ?
C2 C3 N2 106.9(2) . . ?
C2 C3 H3 126.5 . . ?
N2 C3 H3 126.5 . . ?
N1 C4 C5 109.1(2) . . ?
N1 C4 C6 108.3(2) . . ?
C5 C4 C6 110.0(3) . . ?
N1 C4 C7 109.2(3) . . ?
C5 C4 C7 107.7(3) . . ?
C6 C4 C7 112.5(3) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C9 109.1(2) . . ?
N2 C8 C10 108.82(19) . . ?
C9 C8 C10 111.2(2) . . ?
N2 C8 C11 109.0(2) . . ?
C9 C8 C11 109.3(2) . . ?
C10 C8 C11 109.3(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
Si3 C17 H17A 109.5 . . ?
Si3 C17 H17B 109.5 . . ?
Si3 C17 H17C 109.5 . . ?
C19 C18 Si1 112.61(17) . . ?
C19 C18 H18A 109.1 . . ?
Si1 C18 H18A 109.1 . . ?
C19 C18 H18B 109.1 . . ?
Si1 C18 H18B 109.1 . . ?
H18A C18 H18B 107.8 . . ?

_diffrn_measured_fraction_theta_max 0.973
_diffrn_reflns_theta_full        67.93
_diffrn_measured_fraction_theta_full 0.973
_refine_diff_density_max         0.745
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.064
####################################################################### 
# 
# 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_compound1
_database_code_depnum_ccdc_archive 'CCDC 1037723'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C14 H35 Cu N2 Si4'
_chemical_formula_weight         407.34

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_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                   32.0070(9)
_cell_length_b                   8.8040(2)
_cell_length_c                   22.5600(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 132.0781(10)
_cell_angle_gamma                90.00
_cell_volume                     4718.5(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5680
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       irregular
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1744
_exptl_absorpt_coefficient_mu    1.126
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8061
_exptl_absorpt_correction_T_max  0.9153
_exptl_absorpt_process_details   'SORTAV: (Blessing, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10335
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.48
_diffrn_reflns_theta_max         27.54
_reflns_number_total             5417
_reflns_number_gt                4117
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1991)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0226P)²+19.3512P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5417
_refine_ls_number_parameters     201
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_gt           0.0535
_refine_ls_wR_factor_ref         0.1172
_refine_ls_wR_factor_gt          0.1054
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.089
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.125529(18) 0.23112(5) 0.63561(3) 0.03855(13) Uani 1 1 d . . .
Si1 Si 0.13201(4) 0.13683(11) 0.73447(5) 0.0350(2) Uani 1 1 d . . .
Si2 Si 0.05924(4) -0.03844(12) 0.67362(6) 0.0415(2) Uani 1 1 d . . .
Si3 Si 0.12305(4) 0.30443(12) 0.80470(6) 0.0410(2) Uani 1 1 d . . .
Si4 Si 0.21617(4) 0.00593(13) 0.82759(6) 0.0456(3) Uani 1 1 d . . .
N1 N 0.13485(12) 0.2010(4) 0.51574(18) 0.0438(7) Uani 1 1 d . . .
N2 N 0.08911(12) 0.4004(4) 0.49427(17) 0.0424(7) Uani 1 1 d . . .
C1 C 0.11673(14) 0.2830(4) 0.5453(2) 0.0377(8) Uani 1 1 d . . .
C2 C 0.11845(17) 0.2673(6) 0.4481(2) 0.0590(12) Uani 1 1 d . . .
H2 H 0.1260 0.2317 0.4174 0.071 Uiso 1 1 calc R . .
C3 C 0.09002(17) 0.3907(6) 0.4345(2) 0.0566(11) Uani 1 1 d . . .
H3 H 0.0737 0.4584 0.3924 0.068 Uiso 1 1 calc R . .
C4 C 0.16685(19) 0.0615(5) 0.5510(3) 0.0648(12) Uani 1 1 d . . .
H4A H 0.1719 0.0365 0.5969 0.097 Uiso 1 1 calc R . .
H4B H 0.2029 0.0748 0.5669 0.097 Uiso 1 1 calc R . .
H4C H 0.1469 -0.0191 0.5126 0.097 Uiso 1 1 calc R . .
C5 C 0.06396(18) 0.5233(5) 0.5033(3) 0.0605(11) Uani 1 1 d . . .
H5A H 0.0695 0.5067 0.5502 0.091 Uiso 1 1 calc R . .
H5B H 0.0244 0.5277 0.4573 0.091 Uiso 1 1 calc R . .
H5C H 0.0813 0.6175 0.5085 0.091 Uiso 1 1 calc R . .
C6 C -0.00957(19) 0.0555(6) 0.5989(4) 0.112(3) Uani 1 1 d . . .
H6A H -0.0092 0.1151 0.5636 0.168 Uiso 1 1 calc R . .
H6B H -0.0167 0.1204 0.6256 0.168 Uiso 1 1 calc R . .
H6C H -0.0386 -0.0200 0.5687 0.168 Uiso 1 1 calc R . .
C7 C 0.0566(2) -0.1454(7) 0.7423(3) 0.0929(19) Uani 1 1 d . . .
H7A H 0.0517 -0.0755 0.7699 0.139 Uiso 1 1 calc R . .
H7B H 0.0911 -0.2006 0.7803 0.139 Uiso 1 1 calc R . .
H7C H 0.0255 -0.2152 0.7119 0.139 Uiso 1 1 calc R . .
C8 C 0.0646(3) -0.1866(7) 0.6204(4) 0.103(2) Uani 1 1 d . . .
H8A H 0.0329 -0.2538 0.5930 0.155 Uiso 1 1 calc R . .
H8B H 0.0987 -0.2434 0.6583 0.155 Uiso 1 1 calc R . .
H8C H 0.0650 -0.1392 0.5825 0.155 Uiso 1 1 calc R . .
C9 C 0.1255(3) 0.2122(6) 0.8812(4) 0.112(3) Uani 1 1 d . . .
H9A H 0.1609 0.1615 0.9198 0.168 Uiso 1 1 calc R . .
H9B H 0.0955 0.1397 0.8558 0.168 Uiso 1 1 calc R . .
H9C H 0.1213 0.2881 0.9075 0.168 Uiso 1 1 calc R . .
C10 C 0.0552(2) 0.4093(6) 0.7358(3) 0.0766(15) Uani 1 1 d . . .
H10A H 0.0525 0.4789 0.7660 0.115 Uiso 1 1 calc R . .
H10B H 0.0245 0.3385 0.7084 0.115 Uiso 1 1 calc R . .
H10C H 0.0535 0.4648 0.6977 0.115 Uiso 1 1 calc R . .
C11 C 0.1793(2) 0.4497(7) 0.8573(4) 0.113(3) Uani 1 1 d . . .
H11A H 0.1726 0.5225 0.8818 0.170 Uiso 1 1 calc R . .
H11B H 0.1795 0.5003 0.8198 0.170 Uiso 1 1 calc R . .
H11C H 0.2151 0.4016 0.8977 0.170 Uiso 1 1 calc R . .
C12 C 0.27706(18) 0.1386(6) 0.8839(3) 0.0894(18) Uani 1 1 d . . .
H12A H 0.3114 0.0822 0.9208 0.134 Uiso 1 1 calc R . .
H12B H 0.2738 0.2101 0.9127 0.134 Uiso 1 1 calc R . .
H12C H 0.2775 0.1922 0.8472 0.134 Uiso 1 1 calc R . .
C13 C 0.2215(2) -0.1031(7) 0.9030(3) 0.0848(17) Uani 1 1 d . . .
H13A H 0.1927 -0.1798 0.8766 0.127 Uiso 1 1 calc R . .
H13B H 0.2166 -0.0355 0.9314 0.127 Uiso 1 1 calc R . .
H13C H 0.2578 -0.1504 0.9400 0.127 Uiso 1 1 calc R . .
C14 C 0.2260(2) -0.1331(8) 0.7757(3) 0.108(2) Uani 1 1 d . . .
H14A H 0.2279 -0.0800 0.7403 0.162 Uiso 1 1 calc R . .
H14B H 0.1949 -0.2027 0.7455 0.162 Uiso 1 1 calc R . .
H14C H 0.2604 -0.1883 0.8145 0.162 Uiso 1 1 calc R . .


_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
Cu1 C1 1.915(3) . ?
Cu1 Si1 2.2553(10) . ?
Si1 Si3 2.3194(14) . ?
Si1 Si2 2.3250(14) . ?
Si1 Si4 2.3265(14) . ?
Si2 C6 1.844(5) . ?
Si2 C8 1.857(5) . ?
Si2 C7 1.862(5) . ?
Si3 C11 1.850(5) . ?
Si3 C10 1.861(4) . ?
Si3 C9 1.862(5) . ?
Si4 C13 1.860(5) . ?
Si4 C12 1.860(5) . ?
Si4 C14 1.861(5) . ?
N1 C1 1.350(4) . ?
N1 C2 1.367(5) . ?
N1 C4 1.448(5) . ?
N2 C1 1.347(4) . ?
N2 C3 1.370(5) . ?
N2 C5 1.443(5) . ?
C2 C3 1.314(6) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?

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
C1 Cu1 Si1 171.91(11) . . ?
Cu1 Si1 Si3 118.03(5) . . ?
Cu1 Si1 Si2 105.58(5) . . ?
Si3 Si1 Si2 106.98(5) . . ?
Cu1 Si1 Si4 111.03(5) . . ?
Si3 Si1 Si4 107.26(5) . . ?
Si2 Si1 Si4 107.46(5) . . ?
C6 Si2 C8 107.2(3) . . ?
C6 Si2 C7 107.1(3) . . ?
C8 Si2 C7 105.0(3) . . ?
C6 Si2 Si1 110.62(17) . . ?
C8 Si2 Si1 110.95(18) . . ?
C7 Si2 Si1 115.51(17) . . ?
C11 Si3 C10 106.4(3) . . ?
C11 Si3 C9 106.8(3) . . ?
C10 Si3 C9 106.9(3) . . ?
C11 Si3 Si1 111.43(19) . . ?
C10 Si3 Si1 110.80(15) . . ?
C9 Si3 Si1 114.13(16) . . ?
C13 Si4 C12 106.8(3) . . ?
C13 Si4 C14 106.6(3) . . ?
C12 Si4 C14 107.5(3) . . ?
C13 Si4 Si1 114.99(16) . . ?
C12 Si4 Si1 110.78(17) . . ?
C14 Si4 Si1 109.86(17) . . ?
C1 N1 C2 110.6(3) . . ?
C1 N1 C4 124.2(3) . . ?
C2 N1 C4 125.2(4) . . ?
C1 N2 C3 111.0(3) . . ?
C1 N2 C5 124.3(3) . . ?
C3 N2 C5 124.6(4) . . ?
N2 C1 N1 103.9(3) . . ?
N2 C1 Cu1 129.6(3) . . ?
N1 C1 Cu1 126.4(3) . . ?
C3 C2 N1 107.6(3) . . ?
C3 C2 H2 126.2 . . ?
N1 C2 H2 126.2 . . ?
C2 C3 N2 106.8(4) . . ?
C2 C3 H3 126.6 . . ?
N2 C3 H3 126.6 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 H5A 109.5 . . ?
N2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si3 C10 H10A 109.5 . . ?
Si3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si3 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si4 C12 H12A 109.5 . . ?
Si4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si4 C13 H13A 109.5 . . ?
Si4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si4 C14 H14A 109.5 . . ?
Si4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.54
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.542
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.073
####################################################################### 
# 
# 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_compound2
_database_code_depnum_ccdc_archive 'CCDC 1037724'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C14 H35 Ag N2 Si4'
_chemical_formula_weight         451.67

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_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                   32.4050(8)
_cell_length_b                   8.7450(2)
_cell_length_c                   23.0820(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 132.9960(10)
_cell_angle_gamma                90.00
_cell_volume                     4784.1(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    8031
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Needles
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1888
_exptl_absorpt_coefficient_mu    1.040
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8512
_exptl_absorpt_correction_T_max  0.9214
_exptl_absorpt_process_details   'SORTAV: (Blessing, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11721
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0318
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.72
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4191
_reflns_number_gt                3726
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1991)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+100.9311P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4191
_refine_ls_number_parameters     201
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0604
_refine_ls_wR_factor_ref         0.1446
_refine_ls_wR_factor_gt          0.1403
_refine_ls_goodness_of_fit_ref   1.193
_refine_ls_restrained_S_all      1.193
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.12441(2) 0.26617(7) 0.13592(3) 0.03327(18) Uani 1 1 d . . .
Si1 Si 0.13086(8) 0.3704(2) 0.23725(11) 0.0300(4) Uani 1 1 d . . .
Si2 Si 0.12306(9) 0.2027(2) 0.30736(12) 0.0351(5) Uani 1 1 d . . .
Si3 Si 0.21598(9) 0.4999(3) 0.32895(13) 0.0385(5) Uani 1 1 d . . .
Si4 Si 0.05795(9) 0.5465(2) 0.17427(12) 0.0358(5) Uani 1 1 d . . .
N1 N 0.1343(2) 0.2881(8) 0.0114(3) 0.0390(15) Uani 1 1 d . . .
N2 N 0.0873(2) 0.0873(8) -0.0122(3) 0.0361(14) Uani 1 1 d . . .
C1 C 0.1154(3) 0.2065(9) 0.0392(4) 0.0358(17) Uani 1 1 d . . .
C2 C 0.1177(4) 0.2198(12) -0.0561(5) 0.054(2) Uani 1 1 d . . .
H2 H 0.1253 0.2541 -0.0861 0.065 Uiso 1 1 calc R . .
C3 C 0.0893(4) 0.0987(12) -0.0691(5) 0.052(2) Uani 1 1 d . . .
H3 H 0.0729 0.0304 -0.1107 0.062 Uiso 1 1 calc R . .
C4 C 0.1669(4) 0.4266(10) 0.0472(5) 0.050(2) Uani 1 1 d . . .
H4A H 0.1438 0.5126 0.0148 0.075 Uiso 1 1 calc R . .
H4B H 0.1986 0.4214 0.0516 0.075 Uiso 1 1 calc R . .
H4C H 0.1802 0.4383 0.0989 0.075 Uiso 1 1 calc R . .
C5 C 0.0618(4) -0.0323(11) -0.0042(5) 0.053(2) Uani 1 1 d . . .
H5A H 0.0670 -0.0135 0.0414 0.079 Uiso 1 1 calc R . .
H5B H 0.0789 -0.1281 0.0021 0.079 Uiso 1 1 calc R . .
H5C H 0.0222 -0.0362 -0.0507 0.079 Uiso 1 1 calc R . .
C6 C 0.1271(7) 0.2907(15) 0.3832(7) 0.104(5) Uani 1 1 d . . .
H6A H 0.0962 0.3607 0.3585 0.156 Uiso 1 1 calc R . .
H6B H 0.1621 0.3450 0.4204 0.156 Uiso 1 1 calc R . .
H6C H 0.1250 0.2126 0.4103 0.156 Uiso 1 1 calc R . .
C7 C 0.0553(4) 0.0973(13) 0.2389(6) 0.069(3) Uani 1 1 d . . .
H7A H 0.0479 0.0502 0.2686 0.104 Uiso 1 1 calc R . .
H7B H 0.0576 0.0199 0.2117 0.104 Uiso 1 1 calc R . .
H7C H 0.0254 0.1672 0.2011 0.104 Uiso 1 1 calc R . .
C8 C 0.1799(5) 0.0557(15) 0.3607(8) 0.099(5) Uani 1 1 d . . .
H8A H 0.2161 0.1052 0.3964 0.148 Uiso 1 1 calc R . .
H8B H 0.1769 -0.0039 0.3230 0.148 Uiso 1 1 calc R . .
H8C H 0.1761 -0.0101 0.3900 0.148 Uiso 1 1 calc R . .
C9 C 0.2763(4) 0.3697(15) 0.3833(7) 0.084(4) Uani 1 1 d . . .
H9A H 0.3103 0.4276 0.4105 0.126 Uiso 1 1 calc R . .
H9B H 0.2715 0.3005 0.3468 0.126 Uiso 1 1 calc R . .
H9C H 0.2787 0.3127 0.4210 0.126 Uiso 1 1 calc R . .
C10 C 0.2224(4) 0.6087(14) 0.4036(6) 0.075(3) Uani 1 1 d . . .
H10A H 0.2237 0.5387 0.4369 0.112 Uiso 1 1 calc R . .
H10B H 0.1905 0.6752 0.3773 0.112 Uiso 1 1 calc R . .
H10C H 0.2564 0.6684 0.4354 0.112 Uiso 1 1 calc R . .
C11 C 0.2244(4) 0.6410(15) 0.2767(6) 0.084(4) Uani 1 1 d . . .
H11A H 0.2596 0.6941 0.3148 0.126 Uiso 1 1 calc R . .
H11B H 0.1940 0.7133 0.2486 0.126 Uiso 1 1 calc R . .
H11C H 0.2240 0.5882 0.2399 0.126 Uiso 1 1 calc R . .
C12 C 0.0553(5) 0.6548(15) 0.2410(6) 0.085(4) Uani 1 1 d . . .
H12A H 0.0212 0.7139 0.2099 0.128 Uiso 1 1 calc R . .
H12B H 0.0872 0.7220 0.2740 0.128 Uiso 1 1 calc R . .
H12C H 0.0560 0.5845 0.2737 0.128 Uiso 1 1 calc R . .
C13 C 0.0640(5) 0.6939(14) 0.1220(7) 0.085(4) Uani 1 1 d . . .
H13A H 0.0377 0.7750 0.1042 0.128 Uiso 1 1 calc R . .
H13B H 0.0558 0.6481 0.0773 0.128 Uiso 1 1 calc R . .
H13C H 0.1016 0.7344 0.1576 0.128 Uiso 1 1 calc R . .
C14 C -0.0110(4) 0.4484(13) 0.0982(8) 0.108(6) Uani 1 1 d . . .
H14A H -0.0230 0.4048 0.1229 0.163 Uiso 1 1 calc R . .
H14B H -0.0070 0.3687 0.0736 0.163 Uiso 1 1 calc R . .
H14C H -0.0386 0.5209 0.0587 0.163 Uiso 1 1 calc R . .


_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 C1 2.110(7) . ?
Ag1 Si1 2.383(2) . ?
Si1 Si4 2.320(3) . ?
Si1 Si2 2.322(3) . ?
Si1 Si3 2.326(3) . ?
Si2 C6 1.834(10) . ?
Si2 C7 1.854(9) . ?
Si2 C8 1.863(11) . ?
Si3 C9 1.829(11) . ?
Si3 C10 1.852(10) . ?
Si3 C11 1.872(10) . ?
Si4 C12 1.861(10) . ?
Si4 C14 1.861(10) . ?
Si4 C13 1.865(10) . ?
N1 C1 1.355(9) . ?
N1 C2 1.388(11) . ?
N1 C4 1.441(11) . ?
N2 C1 1.361(10) . ?
N2 C3 1.363(10) . ?
N2 C5 1.421(11) . ?
C2 C3 1.296(13) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?

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
C1 Ag1 Si1 171.6(2) . . ?
Si4 Si1 Si2 107.92(11) . . ?
Si4 Si1 Si3 108.41(11) . . ?
Si2 Si1 Si3 107.37(11) . . ?
Si4 Si1 Ag1 105.58(9) . . ?
Si2 Si1 Ag1 117.66(10) . . ?
Si3 Si1 Ag1 109.59(9) . . ?
C6 Si2 C7 107.1(6) . . ?
C6 Si2 C8 105.4(7) . . ?
C7 Si2 C8 106.4(6) . . ?
C6 Si2 Si1 115.4(4) . . ?
C7 Si2 Si1 110.4(3) . . ?
C8 Si2 Si1 111.6(4) . . ?
C9 Si3 C10 107.0(6) . . ?
C9 Si3 C11 107.2(6) . . ?
C10 Si3 C11 106.7(6) . . ?
C9 Si3 Si1 111.7(4) . . ?
C10 Si3 Si1 114.1(3) . . ?
C11 Si3 Si1 109.8(3) . . ?
C12 Si4 C14 108.2(6) . . ?
C12 Si4 C13 105.6(6) . . ?
C14 Si4 C13 107.2(6) . . ?
C12 Si4 Si1 114.9(4) . . ?
C14 Si4 Si1 109.9(3) . . ?
C13 Si4 Si1 110.7(4) . . ?
C1 N1 C2 110.5(7) . . ?
C1 N1 C4 124.3(7) . . ?
C2 N1 C4 125.3(7) . . ?
C1 N2 C3 109.9(7) . . ?
C1 N2 C5 123.6(6) . . ?
C3 N2 C5 126.4(7) . . ?
N1 C1 N2 103.9(6) . . ?
N1 C1 Ag1 126.2(6) . . ?
N2 C1 Ag1 129.7(6) . . ?
C3 C2 N1 106.5(8) . . ?
C3 C2 H2 126.8 . . ?
N1 C2 H2 126.8 . . ?
C2 C3 N2 109.2(8) . . ?
C2 C3 H3 125.4 . . ?
N2 C3 H3 125.4 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 H5A 109.5 . . ?
N2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si3 C10 H10A 109.5 . . ?
Si3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si3 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si4 C12 H12A 109.5 . . ?
Si4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si4 C13 H13A 109.5 . . ?
Si4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si4 C14 H14A 109.5 . . ?
Si4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.077
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.124
####################################################################### 
# 
# 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_compound3
_database_code_depnum_ccdc_archive 'CCDC 1037725'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C20 H47 Cu N2 Si4'
_chemical_formula_weight         491.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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'

_cell_length_a                   9.7847(4)
_cell_length_b                   16.8005(7)
_cell_length_c                   20.3185(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 118.196(2)
_cell_angle_gamma                90.00
_cell_volume                     2943.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9951
_cell_measurement_theta_min      3.61
_cell_measurement_theta_max      67.29

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.109
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064
_exptl_absorpt_coefficient_mu    2.653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6762
_exptl_absorpt_correction_T_max  0.7773
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24130
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_av_sigmaI/netI    0.0164
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.61
_diffrn_reflns_theta_max         67.83
_reflns_number_total             5299
_reflns_number_gt                4724
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0533P)²+0.5129P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5299
_refine_ls_number_parameters     259
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0301
_refine_ls_wR_factor_ref         0.0839
_refine_ls_wR_factor_gt          0.0805
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.98018(3) 0.891363(14) 0.842350(13) 0.03600(9) Uani 1 1 d . . .
Si1 Si 0.95824(5) 0.98174(2) 0.75526(2) 0.03031(11) Uani 1 1 d . . .
Si3 Si 0.73196(5) 0.97132(3) 0.64147(2) 0.03675(12) Uani 1 1 d . . .
Si4 Si 1.16168(5) 0.97927(3) 0.72501(3) 0.03529(12) Uani 1 1 d . . .
Si2 Si 0.95425(6) 1.11027(3) 0.79870(3) 0.03960(12) Uani 1 1 d . . .
N1 N 1.13925(15) 0.78908(8) 0.97661(8) 0.0360(3) Uani 1 1 d . . .
N2 N 0.89298(15) 0.77033(8) 0.92243(8) 0.0343(3) Uani 1 1 d . . .
C15 C 0.5559(2) 0.95469(16) 0.65459(13) 0.0611(6) Uani 1 1 d . . .
H15A H 0.4644 0.9553 0.6068 0.092 Uiso 1 1 calc R . .
H15B H 0.5492 0.9962 0.6854 0.092 Uiso 1 1 calc R . .
H15C H 0.5643 0.9041 0.6782 0.092 Uiso 1 1 calc R . .
C16 C 0.7462(3) 0.88425(15) 0.58713(13) 0.0678(7) Uani 1 1 d . . .
H16A H 0.6521 0.8799 0.5407 0.102 Uiso 1 1 calc R . .
H16B H 0.7616 0.8364 0.6156 0.102 Uiso 1 1 calc R . .
H16C H 0.8321 0.8919 0.5773 0.102 Uiso 1 1 calc R . .
C17 C 0.6900(3) 1.06241(14) 0.58112(12) 0.0639(6) Uani 1 1 d . . .
H17A H 0.7767 1.0734 0.5727 0.096 Uiso 1 1 calc R . .
H17B H 0.6726 1.1070 0.6057 0.096 Uiso 1 1 calc R . .
H17C H 0.5992 1.0533 0.5342 0.096 Uiso 1 1 calc R . .
C18 C 1.2142(2) 0.87475(11) 0.71200(12) 0.0482(4) Uani 1 1 d . . .
H18A H 1.2994 0.8762 0.7010 0.072 Uiso 1 1 calc R . .
H18B H 1.1265 0.8499 0.6714 0.072 Uiso 1 1 calc R . .
H18C H 1.2435 0.8448 0.7570 0.072 Uiso 1 1 calc R . .
C20 C 1.1209(3) 1.03336(14) 0.63642(13) 0.0593(5) Uani 1 1 d . . .
H20A H 1.0905 1.0871 0.6390 0.089 Uiso 1 1 calc R . .
H20B H 1.0387 1.0068 0.5946 0.089 Uiso 1 1 calc R . .
H20C H 1.2126 1.0337 0.6305 0.089 Uiso 1 1 calc R . .
C19 C 1.3415(2) 1.02463(13) 0.80233(13) 0.0569(5) Uani 1 1 d . . .
H19A H 1.4246 1.0215 0.7899 0.085 Uiso 1 1 calc R . .
H19B H 1.3696 0.9962 0.8479 0.085 Uiso 1 1 calc R . .
H19C H 1.3220 1.0794 0.8086 0.085 Uiso 1 1 calc R . .
C12 C 1.1017(3) 1.12018(15) 0.90001(14) 0.0820(8) Uani 1 1 d . . .
H12A H 1.2008 1.1022 0.9070 0.123 Uiso 1 1 calc R . .
H12B H 1.0704 1.0884 0.9299 0.123 Uiso 1 1 calc R . .
H12C H 1.1092 1.1749 0.9148 0.123 Uiso 1 1 calc R . .
C13 C 0.7601(3) 1.13226(14) 0.79251(15) 0.0669(6) Uani 1 1 d . . .
H13A H 0.7634 1.1833 0.8145 0.100 Uiso 1 1 calc R . .
H13B H 0.7357 1.0920 0.8188 0.100 Uiso 1 1 calc R . .
H13C H 0.6820 1.1328 0.7411 0.100 Uiso 1 1 calc R . .
C14 C 0.9951(3) 1.19149(12) 0.74723(15) 0.0681(6) Uani 1 1 d . . .
H14A H 0.9928 1.2420 0.7687 0.102 Uiso 1 1 calc R . .
H14B H 0.9178 1.1907 0.6956 0.102 Uiso 1 1 calc R . .
H14C H 1.0956 1.1834 0.7510 0.102 Uiso 1 1 calc R . .
C1 C 1.00427(18) 0.81471(9) 0.91828(9) 0.0334(3) Uani 1 1 d . . .
C4 C 1.29424(19) 0.82523(11) 0.99707(10) 0.0426(4) Uani 1 1 d . . .
C6 C 1.2892(3) 0.91305(13) 1.01382(13) 0.0613(6) Uani 1 1 d . . .
H6A H 1.2135 0.9395 0.9697 0.092 Uiso 1 1 calc R . .
H6B H 1.3893 0.9364 1.0292 0.092 Uiso 1 1 calc R . .
H6C H 1.2615 0.9187 1.0531 0.092 Uiso 1 1 calc R . .
C5 C 1.3277(2) 0.81479(15) 0.93181(13) 0.0601(6) Uani 1 1 d . . .
H5A H 1.3263 0.7592 0.9207 0.090 Uiso 1 1 calc R . .
H5B H 1.4280 0.8365 0.9446 0.090 Uiso 1 1 calc R . .
H5C H 1.2501 0.8421 0.8889 0.090 Uiso 1 1 calc R . .
C7 C 1.4182(2) 0.78314(16) 1.06614(14) 0.0698(7) Uani 1 1 d . . .
H7A H 1.3961 0.7902 1.1071 0.105 Uiso 1 1 calc R . .
H7B H 1.5180 0.8054 1.0790 0.105 Uiso 1 1 calc R . .
H7C H 1.4182 0.7274 1.0558 0.105 Uiso 1 1 calc R . .
C2 C 1.1112(2) 0.72964(11) 1.01511(10) 0.0447(4) Uani 1 1 d . . .
H2 H 1.1850 0.7028 1.0568 0.054 Uiso 1 1 calc R . .
C3 C 0.9576(2) 0.71762(11) 0.98124(11) 0.0447(4) Uani 1 1 d . . .
H3 H 0.9047 0.6807 0.9949 0.054 Uiso 1 1 calc R . .
C8 C 0.72260(19) 0.78102(10) 0.87163(10) 0.0388(4) Uani 1 1 d . . .
C10 C 0.6317(2) 0.72553(13) 0.89575(13) 0.0565(5) Uani 1 1 d . . .
H10A H 0.6599 0.6714 0.8929 0.085 Uiso 1 1 calc R . .
H10B H 0.5227 0.7326 0.8634 0.085 Uiso 1 1 calc R . .
H10C H 0.6552 0.7376 0.9462 0.085 Uiso 1 1 calc R . .
C9 C 0.6867(2) 0.76166(13) 0.79181(11) 0.0518(5) Uani 1 1 d . . .
H9A H 0.7479 0.7951 0.7776 0.078 Uiso 1 1 calc R . .
H9B H 0.5786 0.7708 0.7588 0.078 Uiso 1 1 calc R . .
H9C H 0.7110 0.7069 0.7888 0.078 Uiso 1 1 calc R . .
C11 C 0.6802(2) 0.86727(12) 0.87772(12) 0.0495(5) Uani 1 1 d . . .
H11A H 0.7085 0.8791 0.9288 0.074 Uiso 1 1 calc R . .
H11B H 0.5705 0.8746 0.8473 0.074 Uiso 1 1 calc R . .
H11C H 0.7348 0.9023 0.8609 0.074 Uiso 1 1 calc R . .


_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
Cu1 C1 1.9366(16) . ?
Cu1 Si1 2.2636(5) . ?
Si1 Si3 2.3326(6) . ?
Si1 Si2 2.3401(6) . ?
Si1 Si4 2.3449(6) . ?
Si3 C16 1.877(2) . ?
Si3 C17 1.881(2) . ?
Si3 C15 1.884(2) . ?
Si4 C19 1.879(2) . ?
Si4 C18 1.8830(19) . ?
Si4 C20 1.883(2) . ?
Si2 C14 1.873(2) . ?
Si2 C13 1.880(2) . ?
Si2 C12 1.882(2) . ?
N1 C1 1.362(2) . ?
N1 C2 1.374(2) . ?
N1 C4 1.499(2) . ?
N2 C1 1.355(2) . ?
N2 C3 1.378(2) . ?
N2 C8 1.500(2) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C4 C5 1.519(3) . ?
C4 C6 1.520(3) . ?
C4 C7 1.527(3) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C2 C3 1.340(3) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C8 C10 1.521(2) . ?
C8 C9 1.523(2) . ?
C8 C11 1.529(2) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?

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
C1 Cu1 Si1 178.60(5) . . ?
Cu1 Si1 Si3 114.80(2) . . ?
Cu1 Si1 Si2 109.66(2) . . ?
Si3 Si1 Si2 105.42(2) . . ?
Cu1 Si1 Si4 114.48(2) . . ?
Si3 Si1 Si4 105.35(2) . . ?
Si2 Si1 Si4 106.42(2) . . ?
C16 Si3 C17 107.73(12) . . ?
C16 Si3 C15 107.13(12) . . ?
C17 Si3 C15 106.28(11) . . ?
C16 Si3 Si1 110.00(7) . . ?
C17 Si3 Si1 113.44(7) . . ?
C15 Si3 Si1 111.96(7) . . ?
C19 Si4 C18 106.60(9) . . ?
C19 Si4 C20 107.18(11) . . ?
C18 Si4 C20 105.34(10) . . ?
C19 Si4 Si1 110.43(7) . . ?
C18 Si4 Si1 112.03(6) . . ?
C20 Si4 Si1 114.78(7) . . ?
C14 Si2 C13 107.15(11) . . ?
C14 Si2 C12 106.90(13) . . ?
C13 Si2 C12 106.50(13) . . ?
C14 Si2 Si1 114.56(8) . . ?
C13 Si2 Si1 110.63(8) . . ?
C12 Si2 Si1 110.69(8) . . ?
C1 N1 C2 110.66(14) . . ?
C1 N1 C4 123.46(14) . . ?
C2 N1 C4 125.79(14) . . ?
C1 N2 C3 110.78(14) . . ?
C1 N2 C8 123.76(14) . . ?
C3 N2 C8 125.39(14) . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si3 C17 H17A 109.5 . . ?
Si3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si4 C20 H20A 109.5 . . ?
Si4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si4 C19 H19A 109.5 . . ?
Si4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C1 N1 104.44(13) . . ?
N2 C1 Cu1 128.08(12) . . ?
N1 C1 Cu1 127.33(12) . . ?
N1 C4 C5 108.58(15) . . ?
N1 C4 C6 108.64(15) . . ?
C5 C4 C6 110.54(18) . . ?
N1 C4 C7 109.10(16) . . ?
C5 C4 C7 110.11(18) . . ?
C6 C4 C7 109.84(18) . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C2 N1 107.12(15) . . ?
C3 C2 H2 126.4 . . ?
N1 C2 H2 126.4 . . ?
C2 C3 N2 106.99(15) . . ?
C2 C3 H3 126.5 . . ?
N2 C3 H3 126.5 . . ?
N2 C8 C10 109.50(15) . . ?
N2 C8 C9 109.22(14) . . ?
C10 C8 C9 109.67(16) . . ?
N2 C8 C11 108.28(14) . . ?
C10 C8 C11 109.42(15) . . ?
C9 C8 C11 110.72(16) . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Cu1 Si1 Si3 166(2) . . . . ?
C1 Cu1 Si1 Si2 -75(2) . . . . ?
C1 Cu1 Si1 Si4 44(2) . . . . ?
Cu1 Si1 Si3 C16 -75.58(10) . . . . ?
Si2 Si1 Si3 C16 163.62(10) . . . . ?
Si4 Si1 Si3 C16 51.30(10) . . . . ?
Cu1 Si1 Si3 C17 163.69(9) . . . . ?
Si2 Si1 Si3 C17 42.89(9) . . . . ?
Si4 Si1 Si3 C17 -69.43(9) . . . . ?
Cu1 Si1 Si3 C15 43.41(9) . . . . ?
Si2 Si1 Si3 C15 -77.39(9) . . . . ?
Si4 Si1 Si3 C15 170.29(9) . . . . ?
Cu1 Si1 Si4 C19 -74.24(8) . . . . ?
Si3 Si1 Si4 C19 158.68(8) . . . . ?
Si2 Si1 Si4 C19 47.07(8) . . . . ?
Cu1 Si1 Si4 C18 44.42(8) . . . . ?
Si3 Si1 Si4 C18 -82.66(8) . . . . ?
Si2 Si1 Si4 C18 165.72(7) . . . . ?
Cu1 Si1 Si4 C20 164.49(9) . . . . ?
Si3 Si1 Si4 C20 37.41(9) . . . . ?
Si2 Si1 Si4 C20 -74.20(9) . . . . ?
Cu1 Si1 Si2 C14 162.88(10) . . . . ?
Si3 Si1 Si2 C14 -73.01(10) . . . . ?
Si4 Si1 Si2 C14 38.55(10) . . . . ?
Cu1 Si1 Si2 C13 -75.89(9) . . . . ?
Si3 Si1 Si2 C13 48.22(9) . . . . ?
Si4 Si1 Si2 C13 159.78(9) . . . . ?
Cu1 Si1 Si2 C12 41.94(12) . . . . ?
Si3 Si1 Si2 C12 166.04(12) . . . . ?
Si4 Si1 Si2 C12 -82.40(12) . . . . ?
C3 N2 C1 N1 -0.89(18) . . . . ?
C8 N2 C1 N1 176.29(14) . . . . ?
C3 N2 C1 Cu1 174.70(13) . . . . ?
C8 N2 C1 Cu1 -8.1(2) . . . . ?
C2 N1 C1 N2 0.68(18) . . . . ?
C4 N1 C1 N2 -176.14(14) . . . . ?
C2 N1 C1 Cu1 -174.96(13) . . . . ?
C4 N1 C1 Cu1 8.2(2) . . . . ?
Si1 Cu1 C1 N2 175(29) . . . . ?
Si1 Cu1 C1 N1 -11(2) . . . . ?
C1 N1 C4 C5 -61.4(2) . . . . ?
C2 N1 C4 C5 122.25(19) . . . . ?
C1 N1 C4 C6 58.8(2) . . . . ?
C2 N1 C4 C6 -117.49(19) . . . . ?
C1 N1 C4 C7 178.56(17) . . . . ?
C2 N1 C4 C7 2.2(3) . . . . ?
C1 N1 C2 C3 -0.2(2) . . . . ?
C4 N1 C2 C3 176.51(16) . . . . ?
N1 C2 C3 N2 -0.3(2) . . . . ?
C1 N2 C3 C2 0.8(2) . . . . ?
C8 N2 C3 C2 -176.34(16) . . . . ?
C1 N2 C8 C10 -175.89(16) . . . . ?
C3 N2 C8 C10 0.9(2) . . . . ?
C1 N2 C8 C9 64.0(2) . . . . ?
C3 N2 C8 C9 -119.23(19) . . . . ?
C1 N2 C8 C11 -56.6(2) . . . . ?
C3 N2 C8 C11 120.12(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        67.83
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.436
_refine_diff_density_min         -0.147
_refine_diff_density_rms         0.047
####################################################################### 
# 
# 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_compound4
_database_code_depnum_ccdc_archive 'CCDC 1037726'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C20 H47 Ag N2 Si4'
_chemical_formula_weight         535.83

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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'

_cell_length_a                   9.7854(4)
_cell_length_b                   16.9170(7)
_cell_length_c                   20.6366(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 118.3060(10)
_cell_angle_gamma                90.00
_cell_volume                     3007.7(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9944
_cell_measurement_theta_min      3.57
_cell_measurement_theta_max      68.29

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.183
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1136
_exptl_absorpt_coefficient_mu    6.949
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6478
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25597
_diffrn_reflns_av_R_equivalents  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0146
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.57
_diffrn_reflns_theta_max         68.35
_reflns_number_total             5437
_reflns_number_gt                5203
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0433P)²+0.6695P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5437
_refine_ls_number_parameters     259
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.0251
_refine_ls_wR_factor_ref         0.0663
_refine_ls_wR_factor_gt          0.0655
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.480288(15) 0.103082(8) 0.843060(7) 0.03471(6) Uani 1 1 d . . .
Si1 Si 0.46059(5) 0.01026(3) 0.75148(2) 0.02885(11) Uani 1 1 d . . .
Si2 Si 0.23277(6) 0.02459(3) 0.64067(3) 0.03582(12) Uani 1 1 d . . .
Si3 Si 0.66459(6) 0.01727(3) 0.72280(3) 0.03393(12) Uani 1 1 d . . .
Si4 Si 0.45837(7) -0.11755(3) 0.79362(3) 0.03826(12) Uani 1 1 d . . .
N1 N 0.39002(17) 0.23118(9) 0.92827(8) 0.0324(3) Uani 1 1 d . . .
N2 N 0.63701(18) 0.21307(9) 0.98335(8) 0.0347(3) Uani 1 1 d . . .
C1 C 0.5033(2) 0.18658(10) 0.92627(10) 0.0321(4) Uani 1 1 d . . .
C2 C 0.4535(3) 0.28474(12) 0.98537(12) 0.0444(5) Uani 1 1 d . . .
H2 H 0.3994 0.3217 0.9978 0.053 Uiso 1 1 calc R . .
C3 C 0.6068(2) 0.27365(13) 1.01948(12) 0.0449(5) Uani 1 1 d . . .
H3 H 0.6796 0.3015 1.0600 0.054 Uiso 1 1 calc R . .
C4 C 0.2198(2) 0.21987(12) 0.87819(11) 0.0377(4) Uani 1 1 d . . .
C5 C 0.1828(3) 0.23779(15) 0.79929(12) 0.0503(5) Uani 1 1 d . . .
H5A H 0.2443 0.2045 0.7856 0.075 Uiso 1 1 calc R . .
H5B H 0.2059 0.2922 0.7955 0.075 Uiso 1 1 calc R . .
H5C H 0.0747 0.2280 0.7670 0.075 Uiso 1 1 calc R . .
C6 C 0.1771(2) 0.13476(13) 0.88530(13) 0.0493(5) Uani 1 1 d . . .
H6A H 0.2058 0.1239 0.9358 0.074 Uiso 1 1 calc R . .
H6B H 0.2313 0.0993 0.8690 0.074 Uiso 1 1 calc R . .
H6C H 0.0672 0.1275 0.8555 0.074 Uiso 1 1 calc R . .
C7 C 0.1285(3) 0.27593(15) 0.90082(15) 0.0564(6) Uani 1 1 d . . .
H7A H 0.1577 0.3295 0.8979 0.085 Uiso 1 1 calc R . .
H7B H 0.1506 0.2645 0.9504 0.085 Uiso 1 1 calc R . .
H7C H 0.0194 0.2692 0.8684 0.085 Uiso 1 1 calc R . .
C8 C 0.7939(2) 0.17771(13) 1.00584(11) 0.0423(4) Uani 1 1 d . . .
C9 C 0.8338(3) 0.18951(17) 0.94357(15) 0.0602(6) Uani 1 1 d . . .
H9A H 0.8363 0.2450 0.9345 0.090 Uiso 1 1 calc R . .
H9B H 0.7567 0.1642 0.8998 0.090 Uiso 1 1 calc R . .
H9C H 0.9336 0.1667 0.9572 0.090 Uiso 1 1 calc R . .
C10 C 0.7888(3) 0.09037(14) 1.02168(15) 0.0598(6) Uani 1 1 d . . .
H10A H 0.7139 0.0643 0.9779 0.090 Uiso 1 1 calc R . .
H10B H 0.7600 0.0843 1.0599 0.090 Uiso 1 1 calc R . .
H10C H 0.8893 0.0674 1.0373 0.090 Uiso 1 1 calc R . .
C11 C 0.9145(3) 0.21930(18) 1.07509(15) 0.0670(7) Uani 1 1 d . . .
H11A H 0.8884 0.2123 1.1141 0.100 Uiso 1 1 calc R . .
H11B H 0.9158 0.2747 1.0652 0.100 Uiso 1 1 calc R . .
H11C H 1.0151 0.1971 1.0895 0.100 Uiso 1 1 calc R . .
C12 C 0.2474(3) 0.11326(17) 0.58998(16) 0.0702(9) Uani 1 1 d . . .
H12A H 0.1497 0.1219 0.5468 0.105 Uiso 1 1 calc R . .
H12B H 0.3265 0.1045 0.5758 0.105 Uiso 1 1 calc R . .
H12C H 0.2736 0.1588 0.6213 0.105 Uiso 1 1 calc R . .
C13 C 0.1878(3) -0.06351(17) 0.57843(14) 0.0674(7) Uani 1 1 d . . .
H13A H 0.2726 -0.0729 0.5684 0.101 Uiso 1 1 calc R . .
H13B H 0.0950 -0.0535 0.5331 0.101 Uiso 1 1 calc R . .
H13C H 0.1727 -0.1091 0.6020 0.101 Uiso 1 1 calc R . .
C14 C 0.0590(3) 0.04011(19) 0.65550(15) 0.0657(7) Uani 1 1 d . . .
H14A H 0.0421 -0.0064 0.6775 0.099 Uiso 1 1 calc R . .
H14B H -0.0310 0.0500 0.6091 0.099 Uiso 1 1 calc R . .
H14C H 0.0772 0.0845 0.6875 0.099 Uiso 1 1 calc R . .
C15 C 0.7155(3) 0.12264(13) 0.71359(14) 0.0502(5) Uani 1 1 d . . .
H15A H 0.8010 0.1232 0.7030 0.075 Uiso 1 1 calc R . .
H15B H 0.7441 0.1504 0.7588 0.075 Uiso 1 1 calc R . .
H15C H 0.6274 0.1480 0.6743 0.075 Uiso 1 1 calc R . .
C16 C 0.6247(3) -0.03316(16) 0.63429(14) 0.0593(6) Uani 1 1 d . . .
H16A H 0.5939 -0.0869 0.6352 0.089 Uiso 1 1 calc R . .
H16B H 0.7168 -0.0325 0.6289 0.089 Uiso 1 1 calc R . .
H16C H 0.5428 -0.0058 0.5936 0.089 Uiso 1 1 calc R . .
C17 C 0.8453(3) -0.02835(15) 0.79813(15) 0.0595(6) Uani 1 1 d . . .
H17A H 0.8695 -0.0036 0.8442 0.089 Uiso 1 1 calc R . .
H17B H 0.9300 -0.0209 0.7876 0.089 Uiso 1 1 calc R . .
H17C H 0.8286 -0.0839 0.8011 0.089 Uiso 1 1 calc R . .
C18 C 0.6102(4) -0.12767(19) 0.89278(17) 0.0836(10) Uani 1 1 d . . .
H18A H 0.7100 -0.1140 0.8978 0.125 Uiso 1 1 calc R . .
H18B H 0.6123 -0.1812 0.9085 0.125 Uiso 1 1 calc R . .
H18C H 0.5858 -0.0929 0.9226 0.125 Uiso 1 1 calc R . .
C19 C 0.4963(4) -0.19726(14) 0.74146(18) 0.0681(7) Uani 1 1 d . . .
H19A H 0.4926 -0.2478 0.7617 0.102 Uiso 1 1 calc R . .
H19B H 0.5971 -0.1897 0.7452 0.102 Uiso 1 1 calc R . .
H19C H 0.4188 -0.1953 0.6907 0.102 Uiso 1 1 calc R . .
C20 C 0.2652(3) -0.13899(16) 0.78875(18) 0.0672(7) Uani 1 1 d . . .
H20A H 0.2682 -0.1901 0.8097 0.101 Uiso 1 1 calc R . .
H20B H 0.1857 -0.1384 0.7383 0.101 Uiso 1 1 calc R . .
H20C H 0.2430 -0.0995 0.8158 0.101 Uiso 1 1 calc R . .


_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 C1 2.1512(18) . ?
Ag1 Si1 2.3936(5) . ?
Si1 Si2 2.3287(7) . ?
Si1 Si4 2.3345(7) . ?
Si1 Si3 2.3388(7) . ?
Si2 C12 1.873(2) . ?
Si2 C13 1.879(3) . ?
Si2 C14 1.884(2) . ?
Si3 C17 1.879(2) . ?
Si3 C16 1.881(2) . ?
Si3 C15 1.885(2) . ?
Si4 C19 1.869(3) . ?
Si4 C20 1.880(3) . ?
Si4 C18 1.882(3) . ?
N1 C1 1.358(2) . ?
N1 C2 1.379(2) . ?
N1 C4 1.499(2) . ?
N2 C1 1.356(2) . ?
N2 C3 1.380(3) . ?
N2 C8 1.501(2) . ?
C2 C3 1.334(3) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 C7 1.521(3) . ?
C4 C5 1.521(3) . ?
C4 C6 1.526(3) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C10 1.519(3) . ?
C8 C9 1.523(3) . ?
C8 C11 1.527(3) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?

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
C1 Ag1 Si1 178.77(5) . . ?
Si2 Si1 Si4 106.77(3) . . ?
Si2 Si1 Si3 106.31(3) . . ?
Si4 Si1 Si3 107.52(3) . . ?
Si2 Si1 Ag1 112.85(2) . . ?
Si4 Si1 Ag1 108.96(2) . . ?
Si3 Si1 Ag1 114.06(2) . . ?
C12 Si2 C13 107.98(15) . . ?
C12 Si2 C14 107.06(14) . . ?
C13 Si2 C14 106.55(14) . . ?
C12 Si2 Si1 109.91(9) . . ?
C13 Si2 Si1 113.19(9) . . ?
C14 Si2 Si1 111.87(9) . . ?
C17 Si3 C16 107.32(13) . . ?
C17 Si3 C15 106.37(11) . . ?
C16 Si3 C15 105.91(12) . . ?
C17 Si3 Si1 110.54(9) . . ?
C16 Si3 Si1 114.42(8) . . ?
C15 Si3 Si1 111.82(8) . . ?
C19 Si4 C20 107.42(14) . . ?
C19 Si4 C18 106.89(16) . . ?
C20 Si4 C18 107.21(15) . . ?
C19 Si4 Si1 114.47(9) . . ?
C20 Si4 Si1 110.21(9) . . ?
C18 Si4 Si1 110.33(10) . . ?
C1 N1 C2 110.37(16) . . ?
C1 N1 C4 124.36(15) . . ?
C2 N1 C4 125.18(16) . . ?
C1 N2 C3 110.43(16) . . ?
C1 N2 C8 124.11(16) . . ?
C3 N2 C8 125.37(17) . . ?
N2 C1 N1 104.79(15) . . ?
N2 C1 Ag1 127.10(13) . . ?
N1 C1 Ag1 127.68(13) . . ?
C3 C2 N1 107.25(17) . . ?
C3 C2 H2 126.4 . . ?
N1 C2 H2 126.4 . . ?
C2 C3 N2 107.16(17) . . ?
C2 C3 H3 126.4 . . ?
N2 C3 H3 126.4 . . ?
N1 C4 C7 109.36(17) . . ?
N1 C4 C5 109.62(15) . . ?
C7 C4 C5 109.13(19) . . ?
N1 C4 C6 108.66(16) . . ?
C7 C4 C6 109.33(18) . . ?
C5 C4 C6 110.73(18) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C10 108.73(17) . . ?
N2 C8 C9 108.71(17) . . ?
C10 C8 C9 110.9(2) . . ?
N2 C8 C11 109.20(18) . . ?
C10 C8 C11 109.7(2) . . ?
C9 C8 C11 109.6(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si3 C17 H17A 109.5 . . ?
Si3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si4 C19 H19A 109.5 . . ?
Si4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si4 C20 H20A 109.5 . . ?
Si4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Ag1 Si1 Si2 -146(2) . . . . ?
C1 Ag1 Si1 Si4 95(2) . . . . ?
C1 Ag1 Si1 Si3 -25(2) . . . . ?
Si4 Si1 Si2 C12 -164.71(12) . . . . ?
Si3 Si1 Si2 C12 -50.15(13) . . . . ?
Ag1 Si1 Si2 C12 75.60(13) . . . . ?
Si4 Si1 Si2 C13 -43.89(12) . . . . ?
Si3 Si1 Si2 C13 70.67(12) . . . . ?
Ag1 Si1 Si2 C13 -163.58(11) . . . . ?
Si4 Si1 Si2 C14 76.49(11) . . . . ?
Si3 Si1 Si2 C14 -168.94(11) . . . . ?
Ag1 Si1 Si2 C14 -43.19(11) . . . . ?
Si2 Si1 Si3 C17 -159.82(9) . . . . ?
Si4 Si1 Si3 C17 -45.77(10) . . . . ?
Ag1 Si1 Si3 C17 75.17(10) . . . . ?
Si2 Si1 Si3 C16 -38.54(10) . . . . ?
Si4 Si1 Si3 C16 75.52(10) . . . . ?
Ag1 Si1 Si3 C16 -163.54(10) . . . . ?
Si2 Si1 Si3 C15 81.87(9) . . . . ?
Si4 Si1 Si3 C15 -164.08(9) . . . . ?
Ag1 Si1 Si3 C15 -43.13(9) . . . . ?
Si2 Si1 Si4 C19 73.28(12) . . . . ?
Si3 Si1 Si4 C19 -40.46(12) . . . . ?
Ag1 Si1 Si4 C19 -164.56(12) . . . . ?
Si2 Si1 Si4 C20 -47.92(11) . . . . ?
Si3 Si1 Si4 C20 -161.66(11) . . . . ?
Ag1 Si1 Si4 C20 74.24(11) . . . . ?
Si2 Si1 Si4 C18 -166.12(14) . . . . ?
Si3 Si1 Si4 C18 80.13(14) . . . . ?
Ag1 Si1 Si4 C18 -43.96(14) . . . . ?
C3 N2 C1 N1 -0.7(2) . . . . ?
C8 N2 C1 N1 176.21(16) . . . . ?
C3 N2 C1 Ag1 172.20(14) . . . . ?
C8 N2 C1 Ag1 -10.9(3) . . . . ?
C2 N1 C1 N2 0.5(2) . . . . ?
C4 N1 C1 N2 -175.97(16) . . . . ?
C2 N1 C1 Ag1 -172.28(14) . . . . ?
C4 N1 C1 Ag1 11.2(3) . . . . ?
Si1 Ag1 C1 N2 -8(2) . . . . ?
Si1 Ag1 C1 N1 163(2) . . . . ?
C1 N1 C2 C3 -0.2(2) . . . . ?
C4 N1 C2 C3 176.25(18) . . . . ?
N1 C2 C3 N2 -0.2(2) . . . . ?
C1 N2 C3 C2 0.6(2) . . . . ?
C8 N2 C3 C2 -176.26(19) . . . . ?
C1 N1 C4 C7 175.30(18) . . . . ?
C2 N1 C4 C7 -0.7(3) . . . . ?
C1 N1 C4 C5 -65.1(2) . . . . ?
C2 N1 C4 C5 118.9(2) . . . . ?
C1 N1 C4 C6 56.0(2) . . . . ?
C2 N1 C4 C6 -119.9(2) . . . . ?
C1 N2 C8 C10 -56.6(3) . . . . ?
C3 N2 C8 C10 119.7(2) . . . . ?
C1 N2 C8 C9 64.2(2) . . . . ?
C3 N2 C8 C9 -119.4(2) . . . . ?
C1 N2 C8 C11 -176.27(19) . . . . ?
C3 N2 C8 C11 0.1(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        68.35
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         0.546
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.056
####################################################################### 
# 
# 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_compound5
_database_code_depnum_ccdc_archive 'CCDC 1037727'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C26 H62 Cu2 N4 Si6'
_chemical_formula_weight         726.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_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                   20.7709(10)
_cell_length_b                   9.2426(4)
_cell_length_c                   21.9292(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.296(2)
_cell_angle_gamma                90.00
_cell_volume                     4097.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5767
_cell_measurement_theta_min      4.14
_cell_measurement_theta_max      68.28

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1552
_exptl_absorpt_coefficient_mu    3.108
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6369
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13370
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0214
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         4.14
_diffrn_reflns_theta_max         68.41
_reflns_number_total             3736
_reflns_number_gt                3295
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0814P)²+5.4680P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3736
_refine_ls_number_parameters     186
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0478
_refine_ls_wR_factor_ref         0.1391
_refine_ls_wR_factor_gt          0.1341
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu -0.01921(2) 0.21838(5) 0.29483(2) 0.04966(18) Uani 1 1 d . . .
Si1 Si 0.09805(4) 0.16674(9) 0.31301(3) 0.0437(2) Uani 1 1 d . . .
Si2 Si 0.10473(4) 0.06824(10) 0.41340(3) 0.0544(2) Uani 1 1 d . . .
Si3 Si 0.18161(5) 0.34405(12) 0.33362(5) 0.0676(3) Uani 1 1 d . . .
N1 N -0.0517(2) 0.4476(5) 0.3728(3) 0.1152(17) Uani 1 1 d . . .
N2 N -0.1022(2) 0.2554(6) 0.39309(15) 0.1068(17) Uani 1 1 d . . .
C1 C -0.06047(18) 0.3089(5) 0.35654(19) 0.0734(11) Uani 1 1 d . . .
C2 C -0.0866(4) 0.4845(10) 0.4178(5) 0.170(5) Uani 1 1 d . . .
H2 H -0.0877 0.5766 0.4368 0.204 Uiso 1 1 calc R . .
C3 C -0.1166(4) 0.3708(13) 0.4284(3) 0.164(4) Uani 1 1 d . . .
H3 H -0.1451 0.3654 0.4566 0.197 Uiso 1 1 calc R . .
C4 C -0.0124(4) 0.5435(8) 0.3447(4) 0.1390(18) Uani 1 1 d . . .
H4A H 0.0102 0.4879 0.3177 0.209 Uiso 1 1 calc R . .
H4B H 0.0206 0.5916 0.3776 0.209 Uiso 1 1 calc R . .
H4C H -0.0410 0.6163 0.3196 0.209 Uiso 1 1 calc R . .
C5 C -0.1275(4) 0.1098(8) 0.3909(4) 0.1390(18) Uani 1 1 d . . .
H5A H -0.1751 0.1106 0.3722 0.209 Uiso 1 1 calc R . .
H5B H -0.1196 0.0706 0.4334 0.209 Uiso 1 1 calc R . .
H5C H -0.1050 0.0494 0.3654 0.209 Uiso 1 1 calc R . .
C6 C 0.0900(3) 0.2064(5) 0.47206(18) 0.0923(14) Uani 1 1 d . . .
H6A H 0.0462 0.2498 0.4571 0.138 Uiso 1 1 calc R . .
H6B H 0.1239 0.2820 0.4770 0.138 Uiso 1 1 calc R . .
H6C H 0.0923 0.1591 0.5125 0.138 Uiso 1 1 calc R . .
C7 C 0.0435(3) -0.0806(6) 0.4135(2) 0.1009(17) Uani 1 1 d . . .
H7A H 0.0506 -0.1220 0.4556 0.151 Uiso 1 1 calc R . .
H7B H 0.0494 -0.1560 0.3838 0.151 Uiso 1 1 calc R . .
H7C H -0.0015 -0.0415 0.4010 0.151 Uiso 1 1 calc R . .
C8 C 0.1870(2) -0.0208(7) 0.4464(2) 0.110(2) Uani 1 1 d . . .
H8A H 0.1879 -0.0577 0.4885 0.165 Uiso 1 1 calc R . .
H8B H 0.2226 0.0501 0.4487 0.165 Uiso 1 1 calc R . .
H8C H 0.1933 -0.1012 0.4192 0.165 Uiso 1 1 calc R . .
C9 C 0.1700(3) 0.4912(8) 0.3876(5) 0.161(4) Uani 1 1 d . A .
H9A H 0.1757 0.4524 0.4301 0.241 Uiso 1 1 calc R . .
H9B H 0.1254 0.5316 0.3737 0.241 Uiso 1 1 calc R . .
H9C H 0.2028 0.5674 0.3875 0.241 Uiso 1 1 calc R . .
C10 C 0.2649(2) 0.2648(7) 0.3668(4) 0.124(2) Uani 1 1 d . A .
H10A H 0.2988 0.3397 0.3692 0.186 Uiso 1 1 calc R . .
H10B H 0.2733 0.1858 0.3398 0.186 Uiso 1 1 calc R . .
H10C H 0.2665 0.2272 0.4089 0.186 Uiso 1 1 calc R . .
C11 C 0.2010(16) 0.389(7) 0.2550(9) 0.128(15) Uani 0.45(5) 1 d P A 1
H11A H 0.1623 0.4340 0.2276 0.192 Uiso 0.45(5) 1 calc PR A 1
H11B H 0.2122 0.2997 0.2355 0.192 Uiso 0.45(5) 1 calc PR A 1
H11C H 0.2386 0.4557 0.2615 0.192 Uiso 0.45(5) 1 calc PR A 1
C11B C 0.1778(13) 0.470(3) 0.2657(11) 0.107(6) Uani 0.55(5) 1 d P A 2
H11D H 0.1360 0.5234 0.2573 0.161 Uiso 0.55(5) 1 calc PR A 2
H11E H 0.1807 0.4138 0.2285 0.161 Uiso 0.55(5) 1 calc PR A 2
H11F H 0.2149 0.5383 0.2757 0.161 Uiso 0.55(5) 1 calc PR A 2
C12 C 0.14181(18) 0.0157(4) 0.27673(16) 0.0658(9) Uani 1 1 d . . .
H12A H 0.1578 0.0574 0.2413 0.079 Uiso 1 1 calc R A .
H12B H 0.1811 -0.0166 0.3086 0.079 Uiso 1 1 calc R . .
C13 C 0.0999(3) -0.1150(5) 0.2533(2) 0.0914(13) Uani 1 1 d . A .
H13A H 0.0865 -0.1621 0.2885 0.137 Uiso 1 1 calc R . .
H13B H 0.1255 -0.1832 0.2341 0.137 Uiso 1 1 calc R . .
H13C H 0.0604 -0.0847 0.2221 0.137 Uiso 1 1 calc R . .


_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
Cu1 C1 1.949(4) . ?
Cu1 Cu1 2.2854(9) 2 ?
Cu1 Si1 2.4232(9) . ?
Cu1 Si1 2.5922(8) 2 ?
Si1 C12 1.934(3) . ?
Si1 Si3 2.3540(12) . ?
Si1 Si2 2.3567(11) . ?
Si1 Cu1 2.5922(8) 2 ?
Si2 C7 1.873(5) . ?
Si2 C8 1.885(4) . ?
Si2 C6 1.887(4) . ?
Si3 C9 1.855(6) . ?
Si3 C10 1.866(5) . ?
Si3 C11B 1.878(14) . ?
Si3 C11 1.903(18) . ?
N1 C1 1.331(6) . ?
N1 C2 1.395(10) . ?
N1 C4 1.437(9) . ?
N2 C3 1.391(8) . ?
N2 C1 1.399(7) . ?
N2 C5 1.441(8) . ?
C2 C3 1.271(14) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11B H11D 0.9800 . ?
C11B H11E 0.9800 . ?
C11B H11F 0.9800 . ?
C12 C13 1.509(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?

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
C1 Cu1 Cu1 153.31(14) . 2 ?
C1 Cu1 Si1 123.79(10) . . ?
Cu1 Cu1 Si1 66.73(3) 2 . ?
C1 Cu1 Si1 115.21(10) . 2 ?
Cu1 Cu1 Si1 59.18(2) 2 2 ?
Si1 Cu1 Si1 120.93(3) . 2 ?
C12 Si1 Si3 100.72(13) . . ?
C12 Si1 Si2 99.96(11) . . ?
Si3 Si1 Si2 101.95(4) . . ?
C12 Si1 Cu1 128.62(12) . . ?
Si3 Si1 Cu1 124.28(5) . . ?
Si2 Si1 Cu1 94.06(4) . . ?
C12 Si1 Cu1 90.90(11) . 2 ?
Si3 Si1 Cu1 109.28(4) . 2 ?
Si2 Si1 Cu1 144.33(4) . 2 ?
Cu1 Si1 Cu1 54.09(2) . 2 ?
C7 Si2 C8 103.6(3) . . ?
C7 Si2 C6 106.2(3) . . ?
C8 Si2 C6 108.0(3) . . ?
C7 Si2 Si1 112.97(14) . . ?
C8 Si2 Si1 112.40(15) . . ?
C6 Si2 Si1 113.06(15) . . ?
C9 Si3 C10 106.5(3) . . ?
C9 Si3 C11B 93.7(11) . . ?
C10 Si3 C11B 114.7(10) . . ?
C9 Si3 C11 120(2) . . ?
C10 Si3 C11 93.9(16) . . ?
C11B Si3 C11 29.1(12) . . ?
C9 Si3 Si1 115.8(2) . . ?
C10 Si3 Si1 112.22(19) . . ?
C11B Si3 Si1 112.6(4) . . ?
C11 Si3 Si1 106.1(9) . . ?
C1 N1 C2 111.3(7) . . ?
C1 N1 C4 122.4(5) . . ?
C2 N1 C4 126.3(6) . . ?
C3 N2 C1 106.8(7) . . ?
C3 N2 C5 127.7(7) . . ?
C1 N2 C5 125.4(4) . . ?
N1 C1 N2 104.6(4) . . ?
N1 C1 Cu1 123.0(4) . . ?
N2 C1 Cu1 132.5(3) . . ?
C3 C2 N1 106.5(6) . . ?
C3 C2 H2 126.7 . . ?
N1 C2 H2 126.7 . . ?
C2 C3 N2 110.8(8) . . ?
C2 C3 H3 124.6 . . ?
N2 C3 H3 124.6 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 H5A 109.5 . . ?
N2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si3 C10 H10A 109.5 . . ?
Si3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si3 C11 H11A 109.5 . . ?
Si3 C11 H11B 109.5 . . ?
Si3 C11 H11C 109.5 . . ?
Si3 C11B H11D 109.5 . . ?
Si3 C11B H11E 109.5 . . ?
H11D C11B H11E 109.5 . . ?
Si3 C11B H11F 109.5 . . ?
H11D C11B H11F 109.5 . . ?
H11E C11B H11F 109.5 . . ?
C13 C12 Si1 115.4(3) . . ?
C13 C12 H12A 108.4 . . ?
Si1 C12 H12A 108.4 . . ?
C13 C12 H12B 108.4 . . ?
Si1 C12 H12B 108.4 . . ?
H12A C12 H12B 107.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Cu1 Si1 C12 151.7(2) . . . . ?
Cu1 Cu1 Si1 C12 -56.39(15) 2 . . . ?
Si1 Cu1 Si1 C12 -31.60(16) 2 . . . ?
C1 Cu1 Si1 Si3 -61.95(18) . . . . ?
Cu1 Cu1 Si1 Si3 89.99(5) 2 . . . ?
Si1 Cu1 Si1 Si3 114.78(6) 2 . . . ?
C1 Cu1 Si1 Si2 45.49(18) . . . . ?
Cu1 Cu1 Si1 Si2 -162.58(4) 2 . . . ?
Si1 Cu1 Si1 Si2 -137.79(3) 2 . . . ?
C1 Cu1 Si1 Cu1 -151.94(18) . . . 2 ?
Si1 Cu1 Si1 Cu1 24.79(4) 2 . . 2 ?
C12 Si1 Si2 C7 -76.4(3) . . . . ?
Si3 Si1 Si2 C7 -179.7(2) . . . . ?
Cu1 Si1 Si2 C7 54.0(2) . . . . ?
Cu1 Si1 Si2 C7 29.4(2) 2 . . . ?
C12 Si1 Si2 C8 40.4(3) . . . . ?
Si3 Si1 Si2 C8 -62.9(2) . . . . ?
Cu1 Si1 Si2 C8 170.8(2) . . . . ?
Cu1 Si1 Si2 C8 146.2(2) 2 . . . ?
C12 Si1 Si2 C6 162.9(2) . . . . ?
Si3 Si1 Si2 C6 59.6(2) . . . . ?
Cu1 Si1 Si2 C6 -66.7(2) . . . . ?
Cu1 Si1 Si2 C6 -91.3(2) 2 . . . ?
C12 Si1 Si3 C9 -164.7(4) . . . . ?
Si2 Si1 Si3 C9 -61.9(4) . . . . ?
Cu1 Si1 Si3 C9 41.5(4) . . . . ?
Cu1 Si1 Si3 C9 100.6(4) 2 . . . ?
C12 Si1 Si3 C10 -42.1(3) . . . . ?
Si2 Si1 Si3 C10 60.6(3) . . . . ?
Cu1 Si1 Si3 C10 164.0(3) . . . . ?
Cu1 Si1 Si3 C10 -136.9(3) 2 . . . ?
C12 Si1 Si3 C11B 89.2(13) . . . . ?
Si2 Si1 Si3 C11B -168.1(13) . . . . ?
Cu1 Si1 Si3 C11B -64.7(13) . . . . ?
Cu1 Si1 Si3 C11B -5.6(13) 2 . . . ?
C12 Si1 Si3 C11 59(2) . . . . ?
Si2 Si1 Si3 C11 162(2) . . . . ?
Cu1 Si1 Si3 C11 -95(2) . . . . ?
Cu1 Si1 Si3 C11 -36(2) 2 . . . ?
C2 N1 C1 N2 -0.5(6) . . . . ?
C4 N1 C1 N2 -178.8(5) . . . . ?
C2 N1 C1 Cu1 -179.9(5) . . . . ?
C4 N1 C1 Cu1 1.7(7) . . . . ?
C3 N2 C1 N1 1.3(5) . . . . ?
C5 N2 C1 N1 178.1(5) . . . . ?
C3 N2 C1 Cu1 -179.4(4) . . . . ?
C5 N2 C1 Cu1 -2.5(7) . . . . ?
Cu1 Cu1 C1 N1 -34.8(5) 2 . . . ?
Si1 Cu1 C1 N1 71.0(4) . . . . ?
Si1 Cu1 C1 N1 -105.9(3) 2 . . . ?
Cu1 Cu1 C1 N2 145.9(3) 2 . . . ?
Si1 Cu1 C1 N2 -108.3(3) . . . . ?
Si1 Cu1 C1 N2 74.8(4) 2 . . . ?
C1 N1 C2 C3 -0.6(10) . . . . ?
C4 N1 C2 C3 177.7(8) . . . . ?
N1 C2 C3 N2 1.4(11) . . . . ?
C1 N2 C3 C2 -1.8(10) . . . . ?
C5 N2 C3 C2 -178.5(8) . . . . ?
Si3 Si1 C12 C13 -176.0(3) . . . . ?
Si2 Si1 C12 C13 79.6(3) . . . . ?
Cu1 Si1 C12 C13 -23.8(4) . . . . ?
Cu1 Si1 C12 C13 -66.2(3) 2 . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        68.41
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.902
_refine_diff_density_min         -0.658
_refine_diff_density_rms         0.064
####################################################################### 
# 
# 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_compound6
_database_code_depnum_ccdc_archive 'CCDC 1037728'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C18 H39 Cu N4 Si3'
_chemical_formula_weight         459.34

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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'

_cell_length_a                   12.9210(5)
_cell_length_b                   14.1060(5)
_cell_length_c                   14.5670(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.340(2)
_cell_angle_gamma                90.00
_cell_volume                     2652.82(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5968
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.150
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             984
_exptl_absorpt_coefficient_mu    0.968
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8605
_exptl_absorpt_correction_T_max  0.8927
_exptl_absorpt_process_details   'SORTAV: (Blessing, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11237
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.14
_diffrn_reflns_theta_max         27.18
_reflns_number_total             5860
_reflns_number_gt                3816
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1991)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0388P)²+3.5135P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5860
_refine_ls_number_parameters     246
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1061
_refine_ls_R_factor_gt           0.0648
_refine_ls_wR_factor_ref         0.1504
_refine_ls_wR_factor_gt          0.1305
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.086
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.13947(4) 0.00440(4) 0.31294(3) 0.06095(18) Uani 1 1 d . . .
Si1 Si 0.21662(8) 0.06850(9) 0.18508(8) 0.0590(3) Uani 1 1 d . . .
Si2 Si 0.28853(10) -0.04739(11) 0.09300(9) 0.0728(4) Uani 1 1 d . . .
Si3 Si 0.35632(10) 0.16872(10) 0.21674(12) 0.0863(4) Uani 1 1 d . . .
N1 N -0.0646(3) 0.0780(3) 0.3658(3) 0.0720(10) Uani 1 1 d . . .
N2 N -0.0814(3) -0.0130(3) 0.2525(2) 0.0703(10) Uani 1 1 d . . .
N3 N 0.2922(3) -0.0089(4) 0.4693(3) 0.0900(13) Uani 1 1 d . . .
N4 N 0.2760(3) -0.1404(3) 0.4030(3) 0.0776(11) Uani 1 1 d . . .
C1 C -0.0095(3) 0.0192(3) 0.3142(3) 0.0615(10) Uani 1 1 d . . .
C2 C -0.1663(4) 0.0816(4) 0.3365(4) 0.0928(16) Uani 1 1 d . . .
H2 H -0.2181 0.1177 0.3620 0.111 Uiso 1 1 calc R . .
C3 C -0.1772(4) 0.0248(4) 0.2658(4) 0.0905(16) Uani 1 1 d . . .
H3 H -0.2380 0.0125 0.2315 0.109 Uiso 1 1 calc R . .
C4 C -0.0202(4) 0.1309(4) 0.4426(4) 0.1015(18) Uani 1 1 d . . .
H4A H 0.0316 0.0931 0.4744 0.152 Uiso 1 1 calc R . .
H4B H -0.0736 0.1468 0.4839 0.152 Uiso 1 1 calc R . .
H4C H 0.0108 0.1880 0.4207 0.152 Uiso 1 1 calc R . .
C5 C -0.0579(4) -0.0777(4) 0.1784(4) 0.0994(18) Uani 1 1 d . . .
H5A H 0.0083 -0.0618 0.1549 0.149 Uiso 1 1 calc R . .
H5B H -0.1103 -0.0725 0.1300 0.149 Uiso 1 1 calc R . .
H5C H -0.0561 -0.1416 0.2012 0.149 Uiso 1 1 calc R . .
C6 C 0.2354(3) -0.0528(4) 0.4018(3) 0.0712(12) Uani 1 1 d . . .
C7 C 0.3646(5) -0.0675(6) 0.5083(4) 0.111(2) Uani 1 1 d . . .
H7 H 0.4122 -0.0518 0.5555 0.133 Uiso 1 1 calc R . .
C8 C 0.3554(4) -0.1494(6) 0.4681(4) 0.100(2) Uani 1 1 d . . .
H8 H 0.3948 -0.2034 0.4808 0.119 Uiso 1 1 calc R . .
C9 C 0.2763(6) 0.0872(5) 0.4954(5) 0.140(3) Uani 1 1 d . . .
H9A H 0.2501 0.1226 0.4433 0.210 Uiso 1 1 calc R . .
H9B H 0.3409 0.1141 0.5175 0.210 Uiso 1 1 calc R . .
H9C H 0.2273 0.0895 0.5432 0.210 Uiso 1 1 calc R . .
C10 C 0.2393(5) -0.2133(4) 0.3405(4) 0.1002(18) Uani 1 1 d . . .
H10A H 0.1959 -0.2566 0.3723 0.150 Uiso 1 1 calc R . .
H10B H 0.2973 -0.2471 0.3175 0.150 Uiso 1 1 calc R . .
H10C H 0.2003 -0.1850 0.2902 0.150 Uiso 1 1 calc R . .
C11 C 0.1293(4) 0.1375(4) 0.0980(3) 0.0871(15) Uani 1 1 d . . .
H11A H 0.1731 0.1708 0.0562 0.105 Uiso 1 1 calc R . .
H11B H 0.0881 0.0923 0.0620 0.105 Uiso 1 1 calc R . .
C12 C 0.0580(5) 0.2074(5) 0.1391(4) 0.122(2) Uani 1 1 d . . .
H12A H 0.0194 0.1768 0.1855 0.183 Uiso 1 1 calc R . .
H12B H 0.0111 0.2319 0.0921 0.183 Uiso 1 1 calc R . .
H12C H 0.0977 0.2585 0.1661 0.183 Uiso 1 1 calc R . .
C13 C 0.1905(4) -0.1431(4) 0.0673(4) 0.1061(19) Uani 1 1 d . . .
H13A H 0.2220 -0.1931 0.0337 0.159 Uiso 1 1 calc R . .
H13B H 0.1334 -0.1172 0.0313 0.159 Uiso 1 1 calc R . .
H13C H 0.1660 -0.1677 0.1239 0.159 Uiso 1 1 calc R . .
C14 C 0.3311(5) -0.0061(5) -0.0220(4) 0.111(2) Uani 1 1 d . . .
H14A H 0.3888 0.0363 -0.0135 0.167 Uiso 1 1 calc R . .
H14B H 0.2749 0.0263 -0.0537 0.167 Uiso 1 1 calc R . .
H14C H 0.3514 -0.0597 -0.0576 0.167 Uiso 1 1 calc R . .
C15 C 0.4032(4) -0.1067(4) 0.1492(4) 0.1002(17) Uani 1 1 d . . .
H15A H 0.3864 -0.1274 0.2096 0.150 Uiso 1 1 calc R . .
H15B H 0.4601 -0.0629 0.1537 0.150 Uiso 1 1 calc R . .
H15C H 0.4223 -0.1605 0.1132 0.150 Uiso 1 1 calc R . .
C16 C 0.4572(4) 0.1120(5) 0.2941(5) 0.127(2) Uani 1 1 d . . .
H16A H 0.4959 0.0672 0.2597 0.191 Uiso 1 1 calc R . .
H16B H 0.4244 0.0798 0.3432 0.191 Uiso 1 1 calc R . .
H16C H 0.5031 0.1598 0.3191 0.191 Uiso 1 1 calc R . .
C17 C 0.3150(5) 0.2799(4) 0.2744(5) 0.131(2) Uani 1 1 d . . .
H17A H 0.2840 0.2644 0.3313 0.197 Uiso 1 1 calc R . .
H17B H 0.2654 0.3127 0.2351 0.197 Uiso 1 1 calc R . .
H17C H 0.3742 0.3198 0.2864 0.197 Uiso 1 1 calc R . .
C18 C 0.4262(5) 0.2101(5) 0.1135(5) 0.146(3) Uani 1 1 d . . .
H18A H 0.4665 0.2654 0.1294 0.219 Uiso 1 1 calc R . .
H18B H 0.3767 0.2255 0.0649 0.219 Uiso 1 1 calc R . .
H18C H 0.4712 0.1607 0.0936 0.219 Uiso 1 1 calc R . .


_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
Cu1 C6 1.932(5) . ?
Cu1 C1 1.937(4) . ?
Cu1 Si1 2.3306(12) . ?
Si1 C11 1.927(5) . ?
Si1 Si3 2.3241(18) . ?
Si1 Si2 2.3317(18) . ?
Si2 C15 1.862(5) . ?
Si2 C14 1.877(5) . ?
Si2 C13 1.878(6) . ?
Si3 C17 1.868(6) . ?
Si3 C16 1.868(6) . ?
Si3 C18 1.878(6) . ?
N1 C1 1.342(5) . ?
N1 C2 1.366(6) . ?
N1 C4 1.445(6) . ?
N2 C1 1.345(5) . ?
N2 C3 1.369(6) . ?
N2 C5 1.456(6) . ?
N3 C6 1.353(6) . ?
N3 C7 1.355(7) . ?
N3 C9 1.425(8) . ?
N4 C6 1.342(6) . ?
N4 C8 1.375(6) . ?
N4 C10 1.440(7) . ?
C2 C3 1.308(7) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C7 C8 1.299(9) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.491(7) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?

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
C6 Cu1 C1 130.47(17) . . ?
C6 Cu1 Si1 114.47(13) . . ?
C1 Cu1 Si1 115.05(12) . . ?
C11 Si1 Si3 104.64(18) . . ?
C11 Si1 Cu1 117.65(16) . . ?
Si3 Si1 Cu1 115.56(6) . . ?
C11 Si1 Si2 102.22(17) . . ?
Si3 Si1 Si2 102.48(7) . . ?
Cu1 Si1 Si2 112.41(6) . . ?
C15 Si2 C14 105.9(3) . . ?
C15 Si2 C13 106.4(3) . . ?
C14 Si2 C13 105.4(3) . . ?
C15 Si2 Si1 113.03(19) . . ?
C14 Si2 Si1 115.7(2) . . ?
C13 Si2 Si1 109.69(17) . . ?
C17 Si3 C16 107.1(3) . . ?
C17 Si3 C18 104.7(3) . . ?
C16 Si3 C18 105.6(3) . . ?
C17 Si3 Si1 111.5(2) . . ?
C16 Si3 Si1 112.1(2) . . ?
C18 Si3 Si1 115.2(3) . . ?
C1 N1 C2 112.0(4) . . ?
C1 N1 C4 123.3(4) . . ?
C2 N1 C4 124.7(4) . . ?
C1 N2 C3 112.2(4) . . ?
C1 N2 C5 123.3(4) . . ?
C3 N2 C5 124.5(4) . . ?
C6 N3 C7 111.7(6) . . ?
C6 N3 C9 123.4(5) . . ?
C7 N3 C9 124.9(6) . . ?
C6 N4 C8 112.0(5) . . ?
C6 N4 C10 122.1(4) . . ?
C8 N4 C10 125.9(5) . . ?
N1 C1 N2 102.4(4) . . ?
N1 C1 Cu1 128.5(3) . . ?
N2 C1 Cu1 128.1(3) . . ?
C3 C2 N1 107.1(5) . . ?
C3 C2 H2 126.4 . . ?
N1 C2 H2 126.4 . . ?
C2 C3 N2 106.3(5) . . ?
C2 C3 H3 126.8 . . ?
N2 C3 H3 126.8 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 H5A 109.5 . . ?
N2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N4 C6 N3 102.3(4) . . ?
N4 C6 Cu1 129.2(4) . . ?
N3 C6 Cu1 127.6(4) . . ?
C8 C7 N3 107.7(6) . . ?
C8 C7 H7 126.1 . . ?
N3 C7 H7 126.1 . . ?
C7 C8 N4 106.3(6) . . ?
C7 C8 H8 126.9 . . ?
N4 C8 H8 126.9 . . ?
N3 C9 H9A 109.5 . . ?
N3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N4 C10 H10A 109.5 . . ?
N4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 Si1 115.1(4) . . ?
C12 C11 H11A 108.5 . . ?
Si1 C11 H11A 108.5 . . ?
C12 C11 H11B 108.5 . . ?
Si1 C11 H11B 108.5 . . ?
H11A C11 H11B 107.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si3 C17 H17A 109.5 . . ?
Si3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si3 C18 H18A 109.5 . . ?
Si3 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si3 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.18
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.455
_refine_diff_density_min         -0.221
_refine_diff_density_rms         0.056
####################################################################### 
# 
# 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_compound9
_database_code_depnum_ccdc_archive 'CCDC 1037729'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C19 H43 Cu N2 Si3'
_chemical_formula_weight         447.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7614(5)
_cell_length_b                   11.7907(5)
_cell_length_c                   11.9641(5)
_cell_angle_alpha                73.042(2)
_cell_angle_beta                 75.264(2)
_cell_angle_gamma                69.343(2)
_cell_volume                     1339.10(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9964
_cell_measurement_theta_min      3.92
_cell_measurement_theta_max      67.41

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.110
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             484
_exptl_absorpt_coefficient_mu    2.459
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6687
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17385
_diffrn_reflns_av_R_equivalents  0.0181
_diffrn_reflns_av_sigmaI/netI    0.0146
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.92
_diffrn_reflns_theta_max         67.98
_reflns_number_total             4747
_reflns_number_gt                4523
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0548P)²+0.4281P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4747
_refine_ls_number_parameters     239
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0334
_refine_ls_wR_factor_ref         0.0922
_refine_ls_wR_factor_gt          0.0907
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.38227(2) 0.10865(2) 0.77849(2) 0.03674(10) Uani 1 1 d . . .
Si1 Si 0.20640(5) 0.27721(4) 0.81674(4) 0.03774(12) Uani 1 1 d . . .
Si2 Si 0.00891(5) 0.27674(5) 0.76821(5) 0.04907(14) Uani 1 1 d . . .
Si3 Si 0.24402(7) 0.46424(5) 0.70242(5) 0.05482(16) Uani 1 1 d . . .
N1 N 0.54293(14) -0.15694(12) 0.79455(12) 0.0371(3) Uani 1 1 d . . .
N2 N 0.64171(15) -0.03818(14) 0.65692(13) 0.0446(3) Uani 1 1 d . . .
C1 C 0.53046(16) -0.03569(15) 0.74192(15) 0.0358(3) Uani 1 1 d . . .
C2 C 0.6594(2) -0.23288(18) 0.74285(18) 0.0544(5) Uani 1 1 d . . .
H2 H 0.6904 -0.3211 0.7639 0.065 Uiso 1 1 calc R . .
C3 C 0.7207(2) -0.1586(2) 0.65730(19) 0.0598(6) Uani 1 1 d . . .
H3 H 0.8036 -0.1845 0.6062 0.072 Uiso 1 1 calc R . .
C4 C 0.44373(18) -0.20045(15) 0.89554(15) 0.0399(4) Uani 1 1 d . . .
C5 C 0.4922(2) -0.34204(17) 0.93308(19) 0.0558(5) Uani 1 1 d . . .
H5A H 0.4990 -0.3778 0.8666 0.084 Uiso 1 1 calc R . .
H5B H 0.4280 -0.3705 1.0002 0.084 Uiso 1 1 calc R . .
H5C H 0.5809 -0.3688 0.9565 0.084 Uiso 1 1 calc R . .
C6 C 0.4329(2) -0.14451(19) 0.99883(17) 0.0541(5) Uani 1 1 d . . .
H6A H 0.5215 -0.1708 1.0222 0.081 Uiso 1 1 calc R . .
H6B H 0.3688 -0.1732 1.0661 0.081 Uiso 1 1 calc R . .
H6C H 0.4014 -0.0536 0.9746 0.081 Uiso 1 1 calc R . .
C7 C 0.3084(2) -0.1586(2) 0.85503(19) 0.0553(5) Uani 1 1 d . . .
H7A H 0.2764 -0.0675 0.8333 0.083 Uiso 1 1 calc R . .
H7B H 0.2431 -0.1892 0.9196 0.083 Uiso 1 1 calc R . .
H7C H 0.3186 -0.1920 0.7861 0.083 Uiso 1 1 calc R . .
C8 C 0.6720(2) 0.0750(2) 0.57547(18) 0.0550(5) Uani 1 1 d . . .
C9 C 0.8071(3) 0.0371(4) 0.4954(4) 0.1400(19) Uani 1 1 d . . .
H9A H 0.8788 -0.0023 0.5435 0.210 Uiso 1 1 calc R . .
H9B H 0.8239 0.1110 0.4382 0.210 Uiso 1 1 calc R . .
H9C H 0.8055 -0.0217 0.4528 0.210 Uiso 1 1 calc R . .
C10 C 0.6698(4) 0.1611(3) 0.6502(3) 0.0909(10) Uani 1 1 d . . .
H10A H 0.5787 0.1895 0.6943 0.136 Uiso 1 1 calc R . .
H10B H 0.6963 0.2330 0.5982 0.136 Uiso 1 1 calc R . .
H10C H 0.7330 0.1160 0.7060 0.136 Uiso 1 1 calc R . .
C11 C 0.5630(3) 0.1411(2) 0.4993(2) 0.0670(6) Uani 1 1 d . . .
H11A H 0.5625 0.0858 0.4522 0.100 Uiso 1 1 calc R . .
H11B H 0.5810 0.2164 0.4461 0.100 Uiso 1 1 calc R . .
H11C H 0.4752 0.1638 0.5502 0.100 Uiso 1 1 calc R . .
C12 C -0.0259(2) 0.1230(2) 0.8300(2) 0.0679(6) Uani 1 1 d . . .
H12A H -0.1143 0.1305 0.8153 0.102 Uiso 1 1 calc R . .
H12B H -0.0255 0.0986 0.9156 0.102 Uiso 1 1 calc R . .
H12C H 0.0438 0.0599 0.7915 0.102 Uiso 1 1 calc R . .
C13 C -0.1466(3) 0.3963(3) 0.8239(4) 0.1053(12) Uani 1 1 d . . .
H13A H -0.1398 0.4798 0.7842 0.158 Uiso 1 1 calc R . .
H13B H -0.1546 0.3846 0.9097 0.158 Uiso 1 1 calc R . .
H13C H -0.2262 0.3868 0.8068 0.158 Uiso 1 1 calc R . .
C14 C 0.0236(4) 0.3063(3) 0.6034(2) 0.0931(10) Uani 1 1 d . . .
H14A H 0.1109 0.2539 0.5708 0.140 Uiso 1 1 calc R . .
H14B H 0.0168 0.3941 0.5681 0.140 Uiso 1 1 calc R . .
H14C H -0.0491 0.2865 0.5851 0.140 Uiso 1 1 calc R . .
C15 C 0.0903(4) 0.6048(2) 0.7090(3) 0.1059(13) Uani 1 1 d . . .
H15A H 0.1136 0.6793 0.6599 0.159 Uiso 1 1 calc R . .
H15B H 0.0583 0.6138 0.7913 0.159 Uiso 1 1 calc R . .
H15C H 0.0190 0.5941 0.6794 0.159 Uiso 1 1 calc R . .
C16 C 0.3052(3) 0.4623(2) 0.5419(2) 0.0710(6) Uani 1 1 d . . .
H16A H 0.2443 0.4363 0.5130 0.107 Uiso 1 1 calc R . .
H16B H 0.3961 0.4037 0.5319 0.107 Uiso 1 1 calc R . .
H16C H 0.3072 0.5457 0.4966 0.107 Uiso 1 1 calc R . .
C17 C 0.3791(5) 0.4919(3) 0.7549(3) 0.1175(15) Uani 1 1 d . . .
H17A H 0.4587 0.4183 0.7565 0.176 Uiso 1 1 calc R . .
H17B H 0.3457 0.5076 0.8349 0.176 Uiso 1 1 calc R . .
H17C H 0.4034 0.5640 0.7009 0.176 Uiso 1 1 calc R . .
C18 C 0.1569(2) 0.29663(18) 0.97844(17) 0.0531(5) Uani 1 1 d . . .
H18A H 0.2294 0.3170 0.9980 0.064 Uiso 1 1 calc R . .
H18B H 0.0740 0.3677 0.9848 0.064 Uiso 1 1 calc R . .
C19 C 0.1328(3) 0.1825(2) 1.06883(19) 0.0727(7) Uani 1 1 d . . .
H19A H 0.0578 0.1641 1.0529 0.109 Uiso 1 1 calc R . .
H19B H 0.1107 0.1982 1.1487 0.109 Uiso 1 1 calc R . .
H19C H 0.2143 0.1114 1.0633 0.109 Uiso 1 1 calc R . .


_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
Cu1 C1 1.9481(16) . ?
Cu1 Si1 2.2754(5) . ?
Si1 C18 1.9305(19) . ?
Si1 Si3 2.3423(7) . ?
Si1 Si2 2.3434(7) . ?
Si2 C14 1.875(3) . ?
Si2 C12 1.878(2) . ?
Si2 C13 1.884(3) . ?
Si3 C16 1.869(2) . ?
Si3 C17 1.879(3) . ?
Si3 C15 1.888(3) . ?
N1 C1 1.357(2) . ?
N1 C2 1.375(2) . ?
N1 C4 1.494(2) . ?
N2 C1 1.357(2) . ?
N2 C3 1.373(3) . ?
N2 C8 1.491(2) . ?
C2 C3 1.338(3) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C7 1.520(3) . ?
C4 C6 1.524(3) . ?
C4 C5 1.526(2) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C11 1.516(3) . ?
C8 C9 1.521(3) . ?
C8 C10 1.527(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.518(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?

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
C1 Cu1 Si1 178.29(5) . . ?
C18 Si1 Cu1 116.80(7) . . ?
C18 Si1 Si3 105.40(7) . . ?
Cu1 Si1 Si3 112.15(2) . . ?
C18 Si1 Si2 105.02(7) . . ?
Cu1 Si1 Si2 111.50(2) . . ?
Si3 Si1 Si2 105.04(3) . . ?
C14 Si2 C12 105.86(14) . . ?
C14 Si2 C13 107.99(18) . . ?
C12 Si2 C13 106.05(14) . . ?
C14 Si2 Si1 110.40(10) . . ?
C12 Si2 Si1 112.69(8) . . ?
C13 Si2 Si1 113.43(12) . . ?
C16 Si3 C17 106.30(16) . . ?
C16 Si3 C15 106.27(13) . . ?
C17 Si3 C15 107.72(19) . . ?
C16 Si3 Si1 112.81(8) . . ?
C17 Si3 Si1 109.34(10) . . ?
C15 Si3 Si1 114.00(11) . . ?
C1 N1 C2 110.63(15) . . ?
C1 N1 C4 124.13(13) . . ?
C2 N1 C4 125.24(15) . . ?
C1 N2 C3 110.37(15) . . ?
C1 N2 C8 124.06(15) . . ?
C3 N2 C8 125.57(16) . . ?
N1 C1 N2 104.70(14) . . ?
N1 C1 Cu1 127.17(12) . . ?
N2 C1 Cu1 128.11(13) . . ?
C3 C2 N1 106.85(17) . . ?
C3 C2 H2 126.6 . . ?
N1 C2 H2 126.6 . . ?
C2 C3 N2 107.46(17) . . ?
C2 C3 H3 126.3 . . ?
N2 C3 H3 126.3 . . ?
N1 C4 C7 108.58(14) . . ?
N1 C4 C6 108.65(14) . . ?
C7 C4 C6 110.75(17) . . ?
N1 C4 C5 109.45(15) . . ?
C7 C4 C5 109.75(16) . . ?
C6 C4 C5 109.63(15) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C11 108.66(17) . . ?
N2 C8 C9 109.5(2) . . ?
C11 C8 C9 108.8(2) . . ?
N2 C8 C10 108.46(18) . . ?
C11 C8 C10 108.9(2) . . ?
C9 C8 C10 112.3(3) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si3 C17 H17A 109.5 . . ?
Si3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 Si1 114.02(14) . . ?
C19 C18 H18A 108.7 . . ?
Si1 C18 H18A 108.7 . . ?
C19 C18 H18B 108.7 . . ?
Si1 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.973
_diffrn_reflns_theta_full        67.98
_diffrn_measured_fraction_theta_full 0.973
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.410
_refine_diff_density_rms         0.055
####################################################################### 
# 
# 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_DMAPCuSilyl
_database_code_depnum_ccdc_archive 'CCDC 1037730'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C32 H74 Cu2 N4 Si8'
_chemical_formula_weight         866.75

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca

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

_cell_length_a                   18.3990(7)
_cell_length_b                   19.4950(8)
_cell_length_c                   27.3470(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     9809.1(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    18206
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Blocks
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.174
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3712
_exptl_absorpt_coefficient_mu    1.087
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8119
_exptl_absorpt_correction_T_max  0.8119
_exptl_absorpt_process_details   'SORTAV: (Blessing, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            49386
_diffrn_reflns_av_R_equivalents  0.0683
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.48
_diffrn_reflns_theta_max         27.66
_reflns_number_total             10989
_reflns_number_gt                8359
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1991)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0018P)²+16.4830P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10989
_refine_ls_number_parameters     437
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0592
_refine_ls_wR_factor_ref         0.1034
_refine_ls_wR_factor_gt          0.0940
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_restrained_S_all      1.188
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.59672(2) 0.19844(2) 0.079320(16) 0.03635(11) Uani 1 1 d . . .
Cu2 Cu 0.72386(2) 0.20043(2) 0.103001(15) 0.03170(10) Uani 1 1 d . . .
Si1 Si 0.68510(5) 0.16281(5) 0.02348(3) 0.0291(2) Uani 1 1 d . . .
Si2 Si 0.59967(5) 0.19127(5) -0.03750(4) 0.0350(2) Uani 1 1 d . . .
Si3 Si 0.69977(6) 0.04368(5) 0.01851(4) 0.0383(2) Uani 1 1 d . . .
Si4 Si 0.79223(5) 0.21137(5) -0.00700(4) 0.0379(2) Uani 1 1 d . . .
Si5 Si 0.77726(5) 0.22682(5) 0.17631(3) 0.0330(2) Uani 1 1 d . . .
Si6 Si 0.88354(6) 0.17022(5) 0.19931(4) 0.0401(2) Uani 1 1 d . . .
Si7 Si 0.80483(6) 0.34321(5) 0.18391(4) 0.0424(3) Uani 1 1 d . . .
Si8 Si 0.69382(6) 0.20578(7) 0.23887(4) 0.0519(3) Uani 1 1 d . . .
N1 N 0.53031(16) 0.12696(15) 0.10982(11) 0.0392(7) Uani 1 1 d . . .
N2 N 0.40676(19) -0.01766(17) 0.18732(12) 0.0507(9) Uani 1 1 d . . .
N3 N 0.55614(15) 0.29247(14) 0.09265(11) 0.0365(7) Uani 1 1 d . . .
N4 N 0.4632(2) 0.48688(17) 0.10881(14) 0.0617(10) Uani 1 1 d . . .
C1 C 0.5595(2) 0.08185(19) 0.14106(14) 0.0448(9) Uani 1 1 d . . .
H1 H 0.6096 0.0835 0.1456 0.054 Uiso 1 1 calc R . .
C2 C 0.5221(2) 0.03387(19) 0.16666(15) 0.0451(9) Uani 1 1 d . . .
H2 H 0.5466 0.0046 0.1879 0.054 Uiso 1 1 calc R . .
C3 C 0.4465(2) 0.02822(19) 0.16127(14) 0.0420(9) Uani 1 1 d . . .
C4 C 0.4156(2) 0.07397(19) 0.12766(14) 0.0420(9) Uani 1 1 d . . .
H4 H 0.3659 0.0724 0.1214 0.050 Uiso 1 1 calc R . .
C5 C 0.4581(2) 0.12085(19) 0.10401(14) 0.0408(9) Uani 1 1 d . . .
H5 H 0.4354 0.1507 0.0823 0.049 Uiso 1 1 calc R . .
C6 C 0.4413(3) -0.0679(2) 0.21827(18) 0.0680(13) Uani 1 1 d . . .
H6A H 0.4791 -0.0907 0.2003 0.102 Uiso 1 1 calc R . .
H6B H 0.4059 -0.1010 0.2288 0.102 Uiso 1 1 calc R . .
H6C H 0.4618 -0.0455 0.2463 0.102 Uiso 1 1 calc R . .
C7 C 0.3284(2) -0.0178(2) 0.18491(17) 0.0604(12) Uani 1 1 d . . .
H7A H 0.3107 0.0285 0.1870 0.091 Uiso 1 1 calc R . .
H7B H 0.3092 -0.0441 0.2116 0.091 Uiso 1 1 calc R . .
H7C H 0.3131 -0.0378 0.1545 0.091 Uiso 1 1 calc R . .
C8 C 0.50027(19) 0.30441(19) 0.12273(14) 0.0404(8) Uani 1 1 d . . .
H8 H 0.4813 0.2673 0.1398 0.048 Uiso 1 1 calc R . .
C9 C 0.4690(2) 0.36690(19) 0.13026(14) 0.0426(9) Uani 1 1 d . . .
H9 H 0.4309 0.3715 0.1524 0.051 Uiso 1 1 calc R . .
C10 C 0.4946(2) 0.42414(19) 0.10453(15) 0.0438(9) Uani 1 1 d . . .
C11 C 0.5541(2) 0.41261(19) 0.07419(15) 0.0475(10) Uani 1 1 d . . .
H11 H 0.5746 0.4488 0.0568 0.057 Uiso 1 1 calc R . .
C12 C 0.5826(2) 0.3480(2) 0.06993(14) 0.0438(9) Uani 1 1 d . . .
H12 H 0.6230 0.3423 0.0499 0.053 Uiso 1 1 calc R . .
C13 C 0.4037(3) 0.4984(2) 0.14259(19) 0.0776(16) Uani 1 1 d . . .
H13A H 0.3632 0.4700 0.1336 0.116 Uiso 1 1 calc R . .
H13B H 0.3895 0.5457 0.1414 0.116 Uiso 1 1 calc R . .
H13C H 0.4191 0.4870 0.1751 0.116 Uiso 1 1 calc R . .
C14 C 0.4872(3) 0.5438(2) 0.0786(2) 0.0848(17) Uani 1 1 d . . .
H14A H 0.5373 0.5536 0.0855 0.127 Uiso 1 1 calc R . .
H14B H 0.4582 0.5835 0.0856 0.127 Uiso 1 1 calc R . .
H14C H 0.4820 0.5318 0.0448 0.127 Uiso 1 1 calc R . .
C15 C 0.6069(2) 0.28293(19) -0.05784(15) 0.0507(10) Uani 1 1 d . . .
H15A H 0.5744 0.2907 -0.0847 0.076 Uiso 1 1 calc R . .
H15B H 0.6559 0.2923 -0.0680 0.076 Uiso 1 1 calc R . .
H15C H 0.5941 0.3127 -0.0312 0.076 Uiso 1 1 calc R . .
C16 C 0.50404(19) 0.1771(2) -0.01763(15) 0.0489(10) Uani 1 1 d . . .
H16A H 0.4928 0.2073 0.0090 0.073 Uiso 1 1 calc R . .
H16B H 0.4982 0.1304 -0.0072 0.073 Uiso 1 1 calc R . .
H16C H 0.4718 0.1863 -0.0444 0.073 Uiso 1 1 calc R . .
C17 C 0.6114(2) 0.1372(2) -0.09383(14) 0.0491(10) Uani 1 1 d . . .
H17A H 0.6024 0.0900 -0.0859 0.074 Uiso 1 1 calc R . .
H17B H 0.6601 0.1421 -0.1059 0.074 Uiso 1 1 calc R . .
H17C H 0.5776 0.1519 -0.1185 0.074 Uiso 1 1 calc R . .
C18 C 0.6100(2) -0.00094(19) 0.01726(16) 0.0513(11) Uani 1 1 d . . .
H18A H 0.5844 0.0113 -0.0121 0.077 Uiso 1 1 calc R . .
H18B H 0.5819 0.0126 0.0452 0.077 Uiso 1 1 calc R . .
H18C H 0.6175 -0.0497 0.0180 0.077 Uiso 1 1 calc R . .
C19 C 0.7524(2) 0.0125(2) 0.07271(16) 0.0558(11) Uani 1 1 d . . .
H19A H 0.7267 0.0240 0.1021 0.084 Uiso 1 1 calc R . .
H19B H 0.7994 0.0339 0.0731 0.084 Uiso 1 1 calc R . .
H19C H 0.7581 -0.0364 0.0707 0.084 Uiso 1 1 calc R . .
C20 C 0.7521(2) 0.0146(2) -0.03656(16) 0.0574(11) Uani 1 1 d . . .
H20A H 0.7558 -0.0345 -0.0363 0.086 Uiso 1 1 calc R . .
H20B H 0.7999 0.0342 -0.0358 0.086 Uiso 1 1 calc R . .
H20C H 0.7274 0.0291 -0.0657 0.086 Uiso 1 1 calc R . .
C21 C 0.8037(2) 0.2022(2) -0.07476(15) 0.0586(11) Uani 1 1 d . . .
H21A H 0.7638 0.2240 -0.0912 0.088 Uiso 1 1 calc R . .
H21B H 0.8049 0.1544 -0.0832 0.088 Uiso 1 1 calc R . .
H21C H 0.8484 0.2235 -0.0846 0.088 Uiso 1 1 calc R . .
C22 C 0.8734(2) 0.1691(2) 0.02209(17) 0.0570(11) Uani 1 1 d . . .
H22A H 0.8708 0.1204 0.0171 0.085 Uiso 1 1 calc R . .
H22B H 0.8737 0.1787 0.0565 0.085 Uiso 1 1 calc R . .
H22C H 0.9171 0.1865 0.0075 0.085 Uiso 1 1 calc R . .
C23 C 0.7941(2) 0.30580(19) 0.00548(16) 0.0551(11) Uani 1 1 d . . .
H23A H 0.8399 0.3244 -0.0048 0.083 Uiso 1 1 calc R . .
H23B H 0.7878 0.3137 0.0399 0.083 Uiso 1 1 calc R . .
H23C H 0.7555 0.3278 -0.0122 0.083 Uiso 1 1 calc R . .
C24 C 0.8781(3) 0.0758(2) 0.18691(19) 0.0691(14) Uani 1 1 d . . .
H24A H 0.9240 0.0548 0.1943 0.104 Uiso 1 1 calc R . .
H24B H 0.8665 0.0684 0.1531 0.104 Uiso 1 1 calc R . .
H24C H 0.8409 0.0558 0.2070 0.104 Uiso 1 1 calc R . .
C25 C 0.9645(2) 0.2037(2) 0.16486(15) 0.0529(10) Uani 1 1 d . . .
H25A H 0.9746 0.2498 0.1751 0.079 Uiso 1 1 calc R . .
H25B H 0.9543 0.2031 0.1304 0.079 Uiso 1 1 calc R . .
H25C H 1.0059 0.1752 0.1715 0.079 Uiso 1 1 calc R . .
C26 C 0.9048(2) 0.1794(2) 0.26613(15) 0.0580(12) Uani 1 1 d . . .
H26A H 0.9485 0.1546 0.2736 0.087 Uiso 1 1 calc R . .
H26B H 0.8653 0.1614 0.2851 0.087 Uiso 1 1 calc R . .
H26C H 0.9116 0.2270 0.2738 0.087 Uiso 1 1 calc R . .
C27 C 0.8673(2) 0.3727(2) 0.13402(15) 0.0531(11) Uani 1 1 d . . .
H27A H 0.8461 0.3623 0.1028 0.080 Uiso 1 1 calc R . .
H27B H 0.9132 0.3497 0.1370 0.080 Uiso 1 1 calc R . .
H27C H 0.8745 0.4214 0.1367 0.080 Uiso 1 1 calc R . .
C28 C 0.8516(3) 0.3690(2) 0.24254(16) 0.0710(14) Uani 1 1 d . . .
H28A H 0.8980 0.3466 0.2446 0.107 Uiso 1 1 calc R . .
H28B H 0.8222 0.3556 0.2699 0.107 Uiso 1 1 calc R . .
H28C H 0.8584 0.4178 0.2429 0.107 Uiso 1 1 calc R . .
C29 C 0.7195(3) 0.3953(2) 0.18050(17) 0.0663(13) Uani 1 1 d . . .
H29A H 0.7314 0.4432 0.1822 0.099 Uiso 1 1 calc R . .
H29B H 0.6883 0.3835 0.2073 0.099 Uiso 1 1 calc R . .
H29C H 0.6950 0.3860 0.1502 0.099 Uiso 1 1 calc R . .
C30 C 0.6851(3) 0.1110(3) 0.2506(2) 0.0821(17) Uani 1 1 d . . .
H30A H 0.6394 0.1019 0.2663 0.123 Uiso 1 1 calc R . .
H30B H 0.7241 0.0962 0.2714 0.123 Uiso 1 1 calc R . .
H30C H 0.6874 0.0867 0.2202 0.123 Uiso 1 1 calc R . .
C31 C 0.6020(2) 0.2377(2) 0.22065(16) 0.0607(12) Uani 1 1 d . . .
H31A H 0.5844 0.2114 0.1934 0.091 Uiso 1 1 calc R . .
H31B H 0.6053 0.2851 0.2115 0.091 Uiso 1 1 calc R . .
H31C H 0.5691 0.2329 0.2477 0.091 Uiso 1 1 calc R . .
C32 C 0.7134(3) 0.2472(3) 0.29998(17) 0.0925(19) Uani 1 1 d . . .
H32A H 0.7149 0.2961 0.2962 0.139 Uiso 1 1 calc R . .
H32B H 0.7594 0.2312 0.3120 0.139 Uiso 1 1 calc R . .
H32C H 0.6758 0.2352 0.3228 0.139 Uiso 1 1 calc R . .


_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
Cu1 N3 2.013(3) . ?
Cu1 N1 2.032(3) . ?
Cu1 Si1 2.3363(10) . ?
Cu1 Cu2 2.4276(6) . ?
Cu2 Si5 2.2910(10) . ?
Cu2 Si1 2.4034(10) . ?
Si1 Si4 2.3402(13) . ?
Si1 Si3 2.3421(13) . ?
Si1 Si2 2.3578(13) . ?
Si2 C16 1.862(4) . ?
Si2 C15 1.876(4) . ?
Si2 C17 1.879(4) . ?
Si3 C18 1.868(4) . ?
Si3 C19 1.872(4) . ?
Si3 C20 1.875(4) . ?
Si4 C23 1.873(4) . ?
Si4 C21 1.874(4) . ?
Si4 C22 1.882(4) . ?
Si5 Si6 2.3316(14) . ?
Si5 Si7 2.3344(14) . ?
Si5 Si8 2.3351(14) . ?
Si6 C24 1.875(4) . ?
Si6 C26 1.877(4) . ?
Si6 C25 1.879(4) . ?
Si7 C29 1.873(4) . ?
Si7 C27 1.874(4) . ?
Si7 C28 1.888(4) . ?
Si8 C31 1.868(4) . ?
Si8 C30 1.882(5) . ?
Si8 C32 1.890(5) . ?
N1 C1 1.339(5) . ?
N1 C5 1.344(4) . ?
N2 C3 1.358(5) . ?
N2 C6 1.442(5) . ?
N2 C7 1.444(5) . ?
N3 C8 1.337(4) . ?
N3 C12 1.340(5) . ?
N4 C10 1.358(5) . ?
N4 C13 1.449(6) . ?
N4 C14 1.451(6) . ?
C1 C2 1.357(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.402(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.402(5) . ?
C4 C5 1.366(5) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.363(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.400(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.393(5) . ?
C11 C12 1.368(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?

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
N3 Cu1 N1 109.09(12) . . ?
N3 Cu1 Si1 130.34(9) . . ?
N1 Cu1 Si1 118.88(9) . . ?
N3 Cu1 Cu2 107.13(8) . . ?
N1 Cu1 Cu2 118.74(9) . . ?
Si1 Cu1 Cu2 60.56(3) . . ?
Si5 Cu2 Si1 170.96(4) . . ?
Si5 Cu2 Cu1 130.56(3) . . ?
Si1 Cu2 Cu1 57.84(3) . . ?
Cu1 Si1 Si4 134.33(5) . . ?
Cu1 Si1 Si3 114.39(5) . . ?
Si4 Si1 Si3 106.46(5) . . ?
Cu1 Si1 Si2 85.90(4) . . ?
Si4 Si1 Si2 102.38(5) . . ?
Si3 Si1 Si2 105.62(5) . . ?
Cu1 Si1 Cu2 61.60(3) . . ?
Si4 Si1 Cu2 87.07(4) . . ?
Si3 Si1 Cu2 108.71(4) . . ?
Si2 Si1 Cu2 140.00(5) . . ?
C16 Si2 C15 107.14(19) . . ?
C16 Si2 C17 105.33(19) . . ?
C15 Si2 C17 106.45(19) . . ?
C16 Si2 Si1 112.87(13) . . ?
C15 Si2 Si1 112.74(13) . . ?
C17 Si2 Si1 111.80(13) . . ?
C18 Si3 C19 108.72(19) . . ?
C18 Si3 C20 107.4(2) . . ?
C19 Si3 C20 105.8(2) . . ?
C18 Si3 Si1 111.16(13) . . ?
C19 Si3 Si1 109.63(14) . . ?
C20 Si3 Si1 113.94(14) . . ?
C23 Si4 C21 105.8(2) . . ?
C23 Si4 C22 109.8(2) . . ?
C21 Si4 C22 106.7(2) . . ?
C23 Si4 Si1 110.36(14) . . ?
C21 Si4 Si1 114.13(14) . . ?
C22 Si4 Si1 109.92(14) . . ?
Cu2 Si5 Si6 119.31(5) . . ?
Cu2 Si5 Si7 112.91(5) . . ?
Si6 Si5 Si7 104.70(5) . . ?
Cu2 Si5 Si8 108.65(5) . . ?
Si6 Si5 Si8 105.70(5) . . ?
Si7 Si5 Si8 104.38(6) . . ?
C24 Si6 C26 106.3(2) . . ?
C24 Si6 C25 107.0(2) . . ?
C26 Si6 C25 106.83(19) . . ?
C24 Si6 Si5 111.76(15) . . ?
C26 Si6 Si5 113.11(15) . . ?
C25 Si6 Si5 111.40(14) . . ?
C29 Si7 C27 108.1(2) . . ?
C29 Si7 C28 106.3(2) . . ?
C27 Si7 C28 104.9(2) . . ?
C29 Si7 Si5 109.91(16) . . ?
C27 Si7 Si5 111.53(14) . . ?
C28 Si7 Si5 115.69(15) . . ?
C31 Si8 C30 107.2(2) . . ?
C31 Si8 C32 105.4(2) . . ?
C30 Si8 C32 106.5(3) . . ?
C31 Si8 Si5 109.93(14) . . ?
C30 Si8 Si5 110.72(18) . . ?
C32 Si8 Si5 116.58(17) . . ?
C1 N1 C5 114.5(3) . . ?
C1 N1 Cu1 118.1(2) . . ?
C5 N1 Cu1 127.4(3) . . ?
C3 N2 C6 121.2(4) . . ?
C3 N2 C7 121.1(4) . . ?
C6 N2 C7 117.7(3) . . ?
C8 N3 C12 115.1(3) . . ?
C8 N3 Cu1 123.7(2) . . ?
C12 N3 Cu1 121.2(2) . . ?
C10 N4 C13 121.0(4) . . ?
C10 N4 C14 120.6(4) . . ?
C13 N4 C14 118.3(4) . . ?
N1 C1 C2 125.3(4) . . ?
N1 C1 H1 117.3 . . ?
C2 C1 H1 117.3 . . ?
C1 C2 C3 120.2(4) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
N2 C3 C4 122.9(4) . . ?
N2 C3 C2 122.1(4) . . ?
C4 C3 C2 115.0(3) . . ?
C5 C4 C3 120.2(4) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
N1 C5 C4 124.7(4) . . ?
N1 C5 H5 117.6 . . ?
C4 C5 H5 117.6 . . ?
N2 C6 H6A 109.5 . . ?
N2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 H7A 109.5 . . ?
N2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N3 C8 C9 125.0(3) . . ?
N3 C8 H8 117.5 . . ?
C9 C8 H8 117.5 . . ?
C8 C9 C10 119.7(4) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
N4 C10 C11 122.1(4) . . ?
N4 C10 C9 122.1(4) . . ?
C11 C10 C9 115.8(3) . . ?
C12 C11 C10 120.0(4) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
N3 C12 C11 124.4(4) . . ?
N3 C12 H12 117.8 . . ?
C11 C12 H12 117.8 . . ?
N4 C13 H13A 109.5 . . ?
N4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N4 C14 H14A 109.5 . . ?
N4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si2 C17 H17A 109.5 . . ?
Si2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si3 C18 H18A 109.5 . . ?
Si3 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si3 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si3 C19 H19A 109.5 . . ?
Si3 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si3 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si3 C20 H20A 109.5 . . ?
Si3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si4 C21 H21A 109.5 . . ?
Si4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C22 H22A 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si4 C23 H23A 109.5 . . ?
Si4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si6 C24 H24A 109.5 . . ?
Si6 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si6 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si6 C25 H25A 109.5 . . ?
Si6 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si6 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si6 C26 H26A 109.5 . . ?
Si6 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si6 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si7 C27 H27A 109.5 . . ?
Si7 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si7 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si7 C28 H28A 109.5 . . ?
Si7 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si7 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si7 C29 H29A 109.5 . . ?
Si7 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si7 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si8 C30 H30A 109.5 . . ?
Si8 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si8 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si8 C31 H31A 109.5 . . ?
Si8 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si8 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si8 C32 H32A 109.5 . . ?
Si8 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si8 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.961
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         0.618
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.105
####################################################################### 
# 
# 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_compound11
_database_code_depnum_ccdc_archive 'CCDC 1037731'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C26 H66 Cu2 N4 Si8'
_chemical_formula_weight         786.63

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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'

_cell_length_a                   19.9568(13)
_cell_length_b                   12.5634(8)
_cell_length_c                   18.0525(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.617(3)
_cell_angle_gamma                90.00
_cell_volume                     4486.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9967
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      68.01

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.165
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1680
_exptl_absorpt_coefficient_mu    3.368
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4121
_exptl_absorpt_correction_T_max  0.7514
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            48518
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0235
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.23
_diffrn_reflns_theta_max         68.18
_reflns_number_total             8160
_reflns_number_gt                7359
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0577P)²+0.8810P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8160
_refine_ls_number_parameters     381
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0321
_refine_ls_wR_factor_ref         0.0911
_refine_ls_wR_factor_gt          0.0878
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.208636(14) 0.04849(2) 0.102134(14) 0.04488(9) Uani 1 1 d . . .
Cu2 Cu 0.256672(12) 0.040524(19) 0.233106(13) 0.03776(8) Uani 1 1 d . . .
Si1 Si 0.16640(2) 0.16003(3) 0.18863(2) 0.03386(10) Uani 1 1 d . . .
Si2 Si 0.12498(3) 0.26472(4) 0.08430(3) 0.04765(13) Uani 1 1 d . . .
Si3 Si 0.22210(3) 0.28568(4) 0.27179(3) 0.04814(13) Uani 1 1 d . . .
Si4 Si 0.07180(2) 0.09743(5) 0.23961(3) 0.04979(13) Uani 1 1 d . . .
Si5 Si 0.33567(2) -0.06821(4) 0.29838(3) 0.04052(11) Uani 1 1 d . . .
Si6 Si 0.34205(3) -0.07346(5) 0.42898(3) 0.05064(13) Uani 1 1 d . . .
Si7 Si 0.44571(3) -0.03171(6) 0.27415(4) 0.06040(16) Uani 1 1 d . . .
Si8 Si 0.30801(3) -0.24123(4) 0.25930(3) 0.05587(14) Uani 1 1 d . . .
N1 N 0.28741(9) 0.06340(14) 0.04337(9) 0.0499(4) Uani 1 1 d . . .
N2 N 0.38389(8) 0.11534(14) 0.00942(10) 0.0535(4) Uani 1 1 d . . .
N3 N 0.15634(9) -0.07626(14) 0.05059(10) 0.0537(4) Uani 1 1 d . . .
N4 N 0.12020(9) -0.24086(14) 0.03773(11) 0.0583(4) Uani 1 1 d . . .
C1 C 0.33561(11) 0.13382(17) 0.05340(12) 0.0553(5) Uani 1 1 d . . .
H1 H 0.3366 0.1914 0.0877 0.066 Uiso 1 1 calc R . .
C2 C 0.30587(12) -0.00400(19) -0.00990(13) 0.0619(6) Uani 1 1 d . . .
H2 H 0.2807 -0.0643 -0.0293 0.074 Uiso 1 1 calc R . .
C3 C 0.36508(12) 0.0279(2) -0.03070(13) 0.0629(6) Uani 1 1 d . . .
H3 H 0.3889 -0.0050 -0.0668 0.075 Uiso 1 1 calc R . .
C4 C 0.44653(14) 0.1749(2) 0.0086(2) 0.0864(8) Uani 1 1 d . . .
H4A H 0.4852 0.1278 0.0233 0.130 Uiso 1 1 calc R . .
H4B H 0.4478 0.2344 0.0439 0.130 Uiso 1 1 calc R . .
H4C H 0.4487 0.2024 -0.0418 0.130 Uiso 1 1 calc R . .
C5 C 0.14277(12) -0.16377(18) 0.08492(12) 0.0600(5) Uani 1 1 d . . .
H5 H 0.1484 -0.1714 0.1377 0.072 Uiso 1 1 calc R . .
C6 C 0.14101(11) -0.09936(19) -0.02377(12) 0.0581(5) Uani 1 1 d . . .
H6 H 0.1452 -0.0513 -0.0635 0.070 Uiso 1 1 calc R . .
C7 C 0.11908(12) -0.2007(2) -0.03206(13) 0.0632(6) Uani 1 1 d . . .
H7 H 0.1055 -0.2368 -0.0778 0.076 Uiso 1 1 calc R . .
C8 C 0.10252(15) -0.3492(2) 0.0570(2) 0.0845(8) Uani 1 1 d . . .
H8A H 0.1239 -0.3659 0.1077 0.127 Uiso 1 1 calc R . .
H8B H 0.1184 -0.3992 0.0215 0.127 Uiso 1 1 calc R . .
H8C H 0.0533 -0.3551 0.0547 0.127 Uiso 1 1 calc R . .
C9 C 0.19288(14) 0.35465(19) 0.05694(14) 0.0696(6) Uani 1 1 d . . .
H9A H 0.2318 0.3118 0.0472 0.104 Uiso 1 1 calc R . .
H9B H 0.2069 0.4048 0.0976 0.104 Uiso 1 1 calc R . .
H9C H 0.1753 0.3942 0.0117 0.104 Uiso 1 1 calc R . .
C10 C 0.09010(16) 0.1854(2) -0.00009(13) 0.0771(7) Uani 1 1 d . . .
H10A H 0.0686 0.2335 -0.0389 0.116 Uiso 1 1 calc R . .
H10B H 0.0566 0.1346 0.0136 0.116 Uiso 1 1 calc R . .
H10C H 0.1269 0.1467 -0.0191 0.116 Uiso 1 1 calc R . .
C11 C 0.05430(12) 0.3561(2) 0.10420(15) 0.0710(6) Uani 1 1 d . . .
H11A H 0.0412 0.4021 0.0608 0.107 Uiso 1 1 calc R . .
H11B H 0.0697 0.4001 0.1480 0.107 Uiso 1 1 calc R . .
H11C H 0.0153 0.3135 0.1141 0.107 Uiso 1 1 calc R . .
C12 C 0.17646(15) 0.4158(2) 0.27628(18) 0.0814(8) Uani 1 1 d . . .
H12A H 0.2019 0.4619 0.3138 0.122 Uiso 1 1 calc R . .
H12B H 0.1313 0.4028 0.2901 0.122 Uiso 1 1 calc R . .
H12C H 0.1723 0.4507 0.2273 0.122 Uiso 1 1 calc R . .
C13 C 0.23337(19) 0.2322(3) 0.36975(14) 0.0910(9) Uani 1 1 d . . .
H13A H 0.2551 0.1622 0.3706 0.136 Uiso 1 1 calc R . .
H13B H 0.1891 0.2256 0.3872 0.136 Uiso 1 1 calc R . .
H13C H 0.2618 0.2810 0.4026 0.136 Uiso 1 1 calc R . .
C14 C 0.30809(13) 0.3165(2) 0.24732(19) 0.0856(9) Uani 1 1 d . . .
H14A H 0.3039 0.3501 0.1980 0.128 Uiso 1 1 calc R . .
H14B H 0.3341 0.2504 0.2465 0.128 Uiso 1 1 calc R . .
H14C H 0.3314 0.3650 0.2847 0.128 Uiso 1 1 calc R . .
C15 C 0.09783(14) 0.0052(3) 0.31965(18) 0.0930(10) Uani 1 1 d . . .
H15A H 0.0579 -0.0156 0.3426 0.139 Uiso 1 1 calc R . .
H15B H 0.1303 0.0413 0.3568 0.139 Uiso 1 1 calc R . .
H15C H 0.1189 -0.0584 0.3014 0.139 Uiso 1 1 calc R . .
C16 C 0.01502(13) 0.0217(3) 0.16681(18) 0.0821(8) Uani 1 1 d . . .
H16A H 0.0395 -0.0397 0.1503 0.123 Uiso 1 1 calc R . .
H16B H 0.0009 0.0682 0.1240 0.123 Uiso 1 1 calc R . .
H16C H -0.0249 -0.0031 0.1881 0.123 Uiso 1 1 calc R . .
C17 C 0.01872(14) 0.2049(3) 0.27623(18) 0.0892(9) Uani 1 1 d . . .
H17A H 0.0017 0.2531 0.2354 0.134 Uiso 1 1 calc R . .
H17B H 0.0464 0.2450 0.3156 0.134 Uiso 1 1 calc R . .
H17C H -0.0195 0.1722 0.2967 0.134 Uiso 1 1 calc R . .
C18 C 0.37332(19) 0.0551(3) 0.47391(19) 0.1055(12) Uani 1 1 d . . .
H18A H 0.3680 0.0536 0.5271 0.158 Uiso 1 1 calc R . .
H18B H 0.3471 0.1144 0.4496 0.158 Uiso 1 1 calc R . .
H18C H 0.4212 0.0645 0.4685 0.158 Uiso 1 1 calc R . .
C19 C 0.40080(15) -0.1767(3) 0.47565(14) 0.0916(10) Uani 1 1 d . . .
H19A H 0.4055 -0.1669 0.5299 0.137 Uiso 1 1 calc R . .
H19B H 0.4452 -0.1696 0.4586 0.137 Uiso 1 1 calc R . .
H19C H 0.3825 -0.2478 0.4629 0.137 Uiso 1 1 calc R . .
C20 C 0.25725(12) -0.0995(3) 0.45810(12) 0.0711(7) Uani 1 1 d . . .
H20A H 0.2439 -0.1732 0.4461 0.107 Uiso 1 1 calc R . .
H20B H 0.2240 -0.0509 0.4315 0.107 Uiso 1 1 calc R . .
H20C H 0.2594 -0.0880 0.5121 0.107 Uiso 1 1 calc R . .
C21 C 0.51288(13) -0.1168(3) 0.32542(18) 0.0902(9) Uani 1 1 d . . .
H21A H 0.5568 -0.0973 0.3108 0.135 Uiso 1 1 calc R . .
H21B H 0.5033 -0.1918 0.3131 0.135 Uiso 1 1 calc R . .
H21C H 0.5138 -0.1062 0.3793 0.135 Uiso 1 1 calc R . .
C22 C 0.45551(18) -0.0493(4) 0.17304(17) 0.1336(19) Uani 1 1 d . . .
H22A H 0.5012 -0.0281 0.1649 0.200 Uiso 1 1 calc R . .
H22B H 0.4223 -0.0048 0.1424 0.200 Uiso 1 1 calc R . .
H22C H 0.4481 -0.1241 0.1590 0.200 Uiso 1 1 calc R . .
C23 C 0.4683(2) 0.1082(3) 0.3014(3) 0.150(2) Uani 1 1 d . . .
H23A H 0.4506 0.1255 0.3480 0.225 Uiso 1 1 calc R . .
H23B H 0.4487 0.1567 0.2618 0.225 Uiso 1 1 calc R . .
H23C H 0.5176 0.1160 0.3086 0.225 Uiso 1 1 calc R . .
C24 C 0.31084(18) -0.2557(3) 0.15628(15) 0.0938(9) Uani 1 1 d . . .
H24A H 0.3580 -0.2583 0.1467 0.141 Uiso 1 1 calc R . .
H24B H 0.2882 -0.1948 0.1299 0.141 Uiso 1 1 calc R . .
H24C H 0.2878 -0.3216 0.1384 0.141 Uiso 1 1 calc R . .
C25 C 0.21936(16) -0.2733(2) 0.27864(16) 0.0823(8) Uani 1 1 d . . .
H25A H 0.1900 -0.2116 0.2660 0.123 Uiso 1 1 calc R . .
H25B H 0.2201 -0.2904 0.3317 0.123 Uiso 1 1 calc R . .
H25C H 0.2020 -0.3344 0.2483 0.123 Uiso 1 1 calc R . .
C26 C 0.3636(2) -0.3498(2) 0.3063(2) 0.1097(12) Uani 1 1 d . . .
H26A H 0.3534 -0.4171 0.2797 0.165 Uiso 1 1 calc R . .
H26B H 0.3550 -0.3574 0.3582 0.165 Uiso 1 1 calc R . .
H26C H 0.4111 -0.3313 0.3053 0.165 Uiso 1 1 calc R . .


_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
Cu1 N1 2.0185(17) . ?
Cu1 N3 2.0382(17) . ?
Cu1 Si1 2.3369(5) . ?
Cu1 Cu2 2.4328(4) . ?
Cu2 Si5 2.2907(5) . ?
Cu2 Si1 2.4003(5) . ?
Si1 Si4 2.3432(6) . ?
Si1 Si3 2.3535(7) . ?
Si1 Si2 2.3552(6) . ?
Si2 C10 1.875(3) . ?
Si2 C9 1.880(2) . ?
Si2 C11 1.890(2) . ?
Si3 C14 1.868(2) . ?
Si3 C13 1.877(3) . ?
Si3 C12 1.879(2) . ?
Si4 C15 1.871(3) . ?
Si4 C16 1.877(3) . ?
Si4 C17 1.888(3) . ?
Si5 Si8 2.3289(8) . ?
Si5 Si7 2.3406(8) . ?
Si5 Si6 2.3452(7) . ?
Si6 C20 1.866(2) . ?
Si6 C19 1.873(3) . ?
Si6 C18 1.877(3) . ?
Si7 C21 1.862(3) . ?
Si7 C23 1.865(4) . ?
Si7 C22 1.874(3) . ?
Si8 C24 1.877(3) . ?
Si8 C26 1.886(3) . ?
Si8 C25 1.892(3) . ?
N1 C1 1.302(3) . ?
N1 C2 1.368(3) . ?
N2 C3 1.341(3) . ?
N2 C1 1.347(3) . ?
N2 C4 1.459(3) . ?
N3 C5 1.308(3) . ?
N3 C6 1.368(3) . ?
N4 C5 1.329(3) . ?
N4 C7 1.355(3) . ?
N4 C8 1.459(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.347(3) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5 0.9500 . ?
C6 C7 1.348(3) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?

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
N1 Cu1 N3 102.64(7) . . ?
N1 Cu1 Si1 132.11(5) . . ?
N3 Cu1 Si1 123.91(5) . . ?
N1 Cu1 Cu2 106.30(5) . . ?
N3 Cu1 Cu2 121.60(5) . . ?
Si1 Cu1 Cu2 60.389(14) . . ?
Si5 Cu2 Si1 168.514(19) . . ?
Si5 Cu2 Cu1 132.853(17) . . ?
Si1 Cu2 Cu1 57.827(13) . . ?
Cu1 Si1 Si4 116.23(2) . . ?
Cu1 Si1 Si3 130.29(2) . . ?
Si4 Si1 Si3 108.16(3) . . ?
Cu1 Si1 Si2 85.41(2) . . ?
Si4 Si1 Si2 106.61(2) . . ?
Si3 Si1 Si2 102.80(3) . . ?
Cu1 Si1 Cu2 61.784(14) . . ?
Si4 Si1 Cu2 105.47(2) . . ?
Si3 Si1 Cu2 86.33(2) . . ?
Si2 Si1 Cu2 141.73(2) . . ?
C10 Si2 C9 107.97(13) . . ?
C10 Si2 C11 105.72(13) . . ?
C9 Si2 C11 105.49(12) . . ?
C10 Si2 Si1 113.96(8) . . ?
C9 Si2 Si1 110.92(8) . . ?
C11 Si2 Si1 112.27(8) . . ?
C14 Si3 C13 107.31(16) . . ?
C14 Si3 C12 107.21(14) . . ?
C13 Si3 C12 105.60(14) . . ?
C14 Si3 Si1 111.04(9) . . ?
C13 Si3 Si1 110.40(10) . . ?
C12 Si3 Si1 114.87(9) . . ?
C15 Si4 C16 107.87(16) . . ?
C15 Si4 C17 106.47(16) . . ?
C16 Si4 C17 107.04(15) . . ?
C15 Si4 Si1 110.83(9) . . ?
C16 Si4 Si1 109.77(9) . . ?
C17 Si4 Si1 114.59(10) . . ?
Cu2 Si5 Si8 106.35(3) . . ?
Cu2 Si5 Si7 112.70(3) . . ?
Si8 Si5 Si7 108.47(3) . . ?
Cu2 Si5 Si6 118.42(3) . . ?
Si8 Si5 Si6 104.92(3) . . ?
Si7 Si5 Si6 105.43(3) . . ?
C20 Si6 C19 106.79(13) . . ?
C20 Si6 C18 106.92(16) . . ?
C19 Si6 C18 104.46(17) . . ?
C20 Si6 Si5 110.96(8) . . ?
C19 Si6 Si5 114.78(9) . . ?
C18 Si6 Si5 112.39(12) . . ?
C21 Si7 C23 106.1(2) . . ?
C21 Si7 C22 104.78(17) . . ?
C23 Si7 C22 108.4(2) . . ?
C21 Si7 Si5 115.22(10) . . ?
C23 Si7 Si5 109.62(13) . . ?
C22 Si7 Si5 112.36(12) . . ?
C24 Si8 C26 106.38(16) . . ?
C24 Si8 C25 108.30(14) . . ?
C26 Si8 C25 105.75(17) . . ?
C24 Si8 Si5 110.71(11) . . ?
C26 Si8 Si5 115.92(12) . . ?
C25 Si8 Si5 109.43(9) . . ?
C1 N1 C2 104.81(17) . . ?
C1 N1 Cu1 127.05(14) . . ?
C2 N1 Cu1 127.82(15) . . ?
C3 N2 C1 106.76(17) . . ?
C3 N2 C4 126.4(2) . . ?
C1 N2 C4 126.7(2) . . ?
C5 N3 C6 104.67(18) . . ?
C5 N3 Cu1 123.76(15) . . ?
C6 N3 Cu1 130.21(15) . . ?
C5 N4 C7 106.68(19) . . ?
C5 N4 C8 126.8(2) . . ?
C7 N4 C8 126.5(2) . . ?
N1 C1 N2 111.95(18) . . ?
N1 C1 H1 124.0 . . ?
N2 C1 H1 124.0 . . ?
C3 C2 N1 109.84(19) . . ?
C3 C2 H2 125.1 . . ?
N1 C2 H2 125.1 . . ?
N2 C3 C2 106.63(18) . . ?
N2 C3 H3 126.7 . . ?
C2 C3 H3 126.7 . . ?
N2 C4 H4A 109.5 . . ?
N2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N3 C5 N4 112.5(2) . . ?
N3 C5 H5 123.7 . . ?
N4 C5 H5 123.7 . . ?
C7 C6 N3 109.7(2) . . ?
C7 C6 H6 125.2 . . ?
N3 C6 H6 125.2 . . ?
C6 C7 N4 106.47(19) . . ?
C6 C7 H7 126.8 . . ?
N4 C7 H7 126.8 . . ?
N4 C8 H8A 109.5 . . ?
N4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si3 C12 H12A 109.5 . . ?
Si3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si4 C15 H15A 109.5 . . ?
Si4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si4 C16 H16A 109.5 . . ?
Si4 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si4 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si4 C17 H17A 109.5 . . ?
Si4 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si4 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si6 C18 H18A 109.5 . . ?
Si6 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si6 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si6 C19 H19A 109.5 . . ?
Si6 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si6 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si6 C20 H20A 109.5 . . ?
Si6 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si6 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si7 C21 H21A 109.5 . . ?
Si7 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si7 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si7 C22 H22A 109.5 . . ?
Si7 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si7 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si7 C23 H23A 109.5 . . ?
Si7 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si7 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si8 C24 H24A 109.5 . . ?
Si8 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si8 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si8 C25 H25A 109.5 . . ?
Si8 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si8 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si8 C26 H26A 109.5 . . ?
Si8 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si8 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        68.18
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.053
####################################################################### 
# 
# 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_compound12
_database_code_depnum_ccdc_archive 'CCDC 1037732'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C22 H60 Ag2 N2 Si8'
_chemical_formula_weight         793.18

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'
Si Si 0.0817 0.0704 '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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pc2(1)n

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

_cell_length_a                   13.1230(3)
_cell_length_b                   13.7360(7)
_cell_length_c                   22.3580(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4030.2(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    8007
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1648
_exptl_absorpt_coefficient_mu    1.224
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8098
_exptl_absorpt_correction_T_max  0.9084
_exptl_absorpt_process_details   'SORTAV: (Blessing, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14229
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.82
_diffrn_reflns_theta_max         27.51
_reflns_number_total             8872
_reflns_number_gt                7751
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1991)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0131P)²+13.2399P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8872
_refine_ls_number_parameters     314
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0556
_refine_ls_wR_factor_ref         0.1175
_refine_ls_wR_factor_gt          0.1098
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_restrained_S_all      1.160
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.31723(4) 0.23161(4) 0.40514(3) 0.05432(15) Uani 1 1 d . . .
Ag2 Ag 0.40660(4) 0.39511(4) 0.36586(2) 0.04787(13) Uani 1 1 d . . .
Si1 Si 0.23122(13) 0.38603(15) 0.42356(9) 0.0426(4) Uani 1 1 d . . .
Si2 Si 0.28027(18) 0.48238(18) 0.50465(11) 0.0578(6) Uani 1 1 d . . .
Si3 Si 0.09111(17) 0.29164(17) 0.45466(10) 0.0518(5) Uani 1 1 d . . .
Si4 Si 0.16471(17) 0.48519(15) 0.34746(11) 0.0513(5) Uani 1 1 d . . .
Si5 Si 0.55560(15) 0.43719(14) 0.30820(9) 0.0421(4) Uani 1 1 d . . .
Si6 Si 0.51768(17) 0.42057(18) 0.20725(10) 0.0579(6) Uani 1 1 d . . .
Si7 Si 0.62038(18) 0.59283(16) 0.32264(13) 0.0591(6) Uani 1 1 d . . .
Si8 Si 0.68680(17) 0.32977(17) 0.33051(10) 0.0539(5) Uani 1 1 d . . .
N1 N 0.3645(5) 0.0825(4) 0.3942(3) 0.0549(16) Uani 1 1 d . . .
N2 N 0.3839(6) -0.0718(5) 0.4059(3) 0.0635(19) Uani 1 1 d . . .
C1 C 0.3467(8) 0.0092(6) 0.4293(4) 0.065(2) Uani 1 1 d . . .
H1 H 0.3127 0.0131 0.4657 0.078 Uiso 1 1 calc R . .
C2 C 0.4152(6) 0.0474(6) 0.3461(4) 0.061(2) Uani 1 1 d . . .
H2 H 0.4374 0.0836 0.3135 0.073 Uiso 1 1 calc R . .
C3 C 0.4279(7) -0.0494(7) 0.3539(4) 0.067(2) Uani 1 1 d . . .
H3 H 0.4609 -0.0920 0.3280 0.081 Uiso 1 1 calc R . .
C4 C 0.3757(12) -0.1700(7) 0.4311(6) 0.113(5) Uani 1 1 d . . .
H4A H 0.3852 -0.1672 0.4736 0.170 Uiso 1 1 calc R . .
H4B H 0.4270 -0.2111 0.4137 0.170 Uiso 1 1 calc R . .
H4C H 0.3094 -0.1962 0.4224 0.170 Uiso 1 1 calc R . .
C5 C 0.4037(8) 0.5462(9) 0.4904(5) 0.093(3) Uani 1 1 d . . .
H5A H 0.3941 0.5949 0.4602 0.139 Uiso 1 1 calc R . .
H5B H 0.4536 0.4999 0.4771 0.139 Uiso 1 1 calc R . .
H5C H 0.4268 0.5765 0.5266 0.139 Uiso 1 1 calc R . .
C6 C 0.1840(8) 0.5786(7) 0.5199(5) 0.085(3) Uani 1 1 d . . .
H6A H 0.1181 0.5493 0.5247 0.127 Uiso 1 1 calc R . .
H6B H 0.1822 0.6235 0.4870 0.127 Uiso 1 1 calc R . .
H6C H 0.2020 0.6128 0.5558 0.127 Uiso 1 1 calc R . .
C7 C 0.2962(8) 0.4078(9) 0.5729(4) 0.087(3) Uani 1 1 d . . .
H7A H 0.3162 0.4489 0.6056 0.131 Uiso 1 1 calc R . .
H7B H 0.3478 0.3595 0.5662 0.131 Uiso 1 1 calc R . .
H7C H 0.2329 0.3763 0.5824 0.131 Uiso 1 1 calc R . .
C8 C 0.0267(7) 0.2394(7) 0.3880(4) 0.070(2) Uani 1 1 d . . .
H8A H 0.0756 0.2055 0.3639 0.105 Uiso 1 1 calc R . .
H8B H -0.0036 0.2909 0.3651 0.105 Uiso 1 1 calc R . .
H8C H -0.0254 0.1949 0.4007 0.105 Uiso 1 1 calc R . .
C9 C 0.1276(8) 0.1881(8) 0.5030(5) 0.091(4) Uani 1 1 d . . .
H9A H 0.0684 0.1497 0.5119 0.136 Uiso 1 1 calc R . .
H9B H 0.1564 0.2123 0.5396 0.136 Uiso 1 1 calc R . .
H9C H 0.1771 0.1486 0.4827 0.136 Uiso 1 1 calc R . .
C10 C -0.0030(7) 0.3636(7) 0.4993(4) 0.075(3) Uani 1 1 d . . .
H10A H -0.0615 0.3240 0.5078 0.113 Uiso 1 1 calc R . .
H10B H -0.0237 0.4198 0.4769 0.113 Uiso 1 1 calc R . .
H10C H 0.0279 0.3839 0.5362 0.113 Uiso 1 1 calc R . .
C11 C 0.0322(7) 0.5257(7) 0.3633(5) 0.078(3) Uani 1 1 d . . .
H11A H 0.0130 0.5751 0.3351 0.117 Uiso 1 1 calc R . .
H11B H 0.0286 0.5516 0.4031 0.117 Uiso 1 1 calc R . .
H11C H -0.0133 0.4712 0.3598 0.117 Uiso 1 1 calc R . .
C12 C 0.2421(8) 0.5972(6) 0.3386(5) 0.078(3) Uani 1 1 d . . .
H12A H 0.3109 0.5798 0.3289 0.117 Uiso 1 1 calc R . .
H12B H 0.2413 0.6334 0.3753 0.117 Uiso 1 1 calc R . .
H12C H 0.2140 0.6364 0.3071 0.117 Uiso 1 1 calc R . .
C13 C 0.1622(8) 0.4194(8) 0.2760(4) 0.085(3) Uani 1 1 d . . .
H13A H 0.1298 0.4590 0.2462 0.128 Uiso 1 1 calc R . .
H13B H 0.1248 0.3598 0.2808 0.128 Uiso 1 1 calc R . .
H13C H 0.2306 0.4049 0.2638 0.128 Uiso 1 1 calc R . .
C14 C 0.6253(8) 0.4451(10) 0.1546(6) 0.115(3) Uani 1 1 d . . .
H14A H 0.6742 0.3932 0.1572 0.173 Uiso 1 1 calc R . .
H14B H 0.6574 0.5055 0.1651 0.173 Uiso 1 1 calc R . .
H14C H 0.5996 0.4491 0.1145 0.173 Uiso 1 1 calc R . .
C15 C 0.4136(8) 0.5073(8) 0.1869(5) 0.088(3) Uani 1 1 d . . .
H15A H 0.3953 0.4981 0.1457 0.133 Uiso 1 1 calc R . .
H15B H 0.4369 0.5729 0.1927 0.133 Uiso 1 1 calc R . .
H15C H 0.3553 0.4955 0.2118 0.133 Uiso 1 1 calc R . .
C16 C 0.4708(11) 0.2960(8) 0.1913(5) 0.109(4) Uani 1 1 d . . .
H16A H 0.4159 0.2806 0.2180 0.163 Uiso 1 1 calc R . .
H16B H 0.5253 0.2502 0.1968 0.163 Uiso 1 1 calc R . .
H16C H 0.4470 0.2928 0.1507 0.163 Uiso 1 1 calc R . .
C17 C 0.5273(8) 0.6895(7) 0.3022(6) 0.092(4) Uani 1 1 d . . .
H17A H 0.5574 0.7523 0.3089 0.138 Uiso 1 1 calc R . .
H17B H 0.4673 0.6830 0.3264 0.138 Uiso 1 1 calc R . .
H17C H 0.5093 0.6831 0.2608 0.138 Uiso 1 1 calc R . .
C18 C 0.7366(9) 0.6206(9) 0.2789(6) 0.115(3) Uani 1 1 d . . .
H18A H 0.7212 0.6177 0.2370 0.173 Uiso 1 1 calc R . .
H18B H 0.7887 0.5739 0.2882 0.173 Uiso 1 1 calc R . .
H18C H 0.7603 0.6848 0.2889 0.173 Uiso 1 1 calc R . .
C19 C 0.6504(11) 0.6142(9) 0.4037(6) 0.116(3) Uani 1 1 d . . .
H19A H 0.6443 0.6823 0.4126 0.174 Uiso 1 1 calc R . .
H19B H 0.7187 0.5931 0.4120 0.174 Uiso 1 1 calc R . .
H19C H 0.6035 0.5781 0.4281 0.174 Uiso 1 1 calc R . .
C20 C 0.7974(7) 0.3362(8) 0.2789(5) 0.085(3) Uani 1 1 d . . .
H20A H 0.8473 0.2887 0.2905 0.128 Uiso 1 1 calc R . .
H20B H 0.8270 0.4001 0.2808 0.128 Uiso 1 1 calc R . .
H20C H 0.7751 0.3232 0.2388 0.128 Uiso 1 1 calc R . .
C21 C 0.7344(9) 0.3539(9) 0.4074(5) 0.100(4) Uani 1 1 d . . .
H21A H 0.7792 0.3022 0.4194 0.150 Uiso 1 1 calc R . .
H21B H 0.6779 0.3574 0.4345 0.150 Uiso 1 1 calc R . .
H21C H 0.7708 0.4145 0.4079 0.150 Uiso 1 1 calc R . .
C22 C 0.6420(11) 0.2004(8) 0.3299(6) 0.116(3) Uani 1 1 d . . .
H22A H 0.6110 0.1861 0.2920 0.174 Uiso 1 1 calc R . .
H22B H 0.5930 0.1909 0.3613 0.174 Uiso 1 1 calc R . .
H22C H 0.6990 0.1577 0.3362 0.174 Uiso 1 1 calc R . .


_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 N1 2.154(6) . ?
Ag1 Si1 2.438(2) . ?
Ag1 Ag2 2.6815(8) . ?
Ag2 Si5 2.412(2) . ?
Ag2 Si1 2.6413(19) . ?
Si1 Si2 2.335(3) . ?
Si1 Si4 2.348(3) . ?
Si1 Si3 2.355(3) . ?
Si2 C7 1.850(10) . ?
Si2 C6 1.860(9) . ?
Si2 C5 1.869(10) . ?
Si3 C9 1.850(9) . ?
Si3 C8 1.857(9) . ?
Si3 C10 1.871(9) . ?
Si4 C13 1.835(10) . ?
Si4 C12 1.854(9) . ?
Si4 C11 1.859(10) . ?
Si5 Si8 2.322(3) . ?
Si5 Si6 2.322(3) . ?
Si5 Si7 2.323(3) . ?
Si6 C16 1.853(11) . ?
Si6 C15 1.868(10) . ?
Si6 C14 1.869(11) . ?
Si7 C18 1.852(11) . ?
Si7 C17 1.861(10) . ?
Si7 C19 1.879(13) . ?
Si8 C20 1.856(9) . ?
Si8 C21 1.858(10) . ?
Si8 C22 1.872(12) . ?
N1 C1 1.298(11) . ?
N1 C2 1.353(11) . ?
N2 C1 1.323(10) . ?
N2 C3 1.334(11) . ?
N2 C4 1.466(11) . ?
C1 H1 0.9300 . ?
C2 C3 1.351(12) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?

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
N1 Ag1 Si1 168.49(19) . . ?
N1 Ag1 Ag2 129.28(19) . . ?
Si1 Ag1 Ag2 61.91(5) . . ?
Si5 Ag2 Si1 168.12(7) . . ?
Si5 Ag2 Ag1 136.90(5) . . ?
Si1 Ag2 Ag1 54.51(5) . . ?
Si2 Si1 Si4 109.66(12) . . ?
Si2 Si1 Si3 107.34(11) . . ?
Si4 Si1 Si3 104.07(10) . . ?
Si2 Si1 Ag1 119.78(10) . . ?
Si4 Si1 Ag1 123.67(10) . . ?
Si3 Si1 Ag1 86.12(9) . . ?
Si2 Si1 Ag2 96.44(9) . . ?
Si4 Si1 Ag2 86.71(9) . . ?
Si3 Si1 Ag2 148.27(11) . . ?
Ag1 Si1 Ag2 63.59(5) . . ?
C7 Si2 C6 108.6(5) . . ?
C7 Si2 C5 107.6(5) . . ?
C6 Si2 C5 106.7(5) . . ?
C7 Si2 Si1 111.0(4) . . ?
C6 Si2 Si1 110.9(3) . . ?
C5 Si2 Si1 111.9(4) . . ?
C9 Si3 C8 106.9(5) . . ?
C9 Si3 C10 105.4(5) . . ?
C8 Si3 C10 109.4(5) . . ?
C9 Si3 Si1 113.2(3) . . ?
C8 Si3 Si1 109.4(3) . . ?
C10 Si3 Si1 112.5(3) . . ?
C13 Si4 C12 109.0(5) . . ?
C13 Si4 C11 107.2(5) . . ?
C12 Si4 C11 106.5(5) . . ?
C13 Si4 Si1 110.6(3) . . ?
C12 Si4 Si1 110.8(3) . . ?
C11 Si4 Si1 112.5(3) . . ?
Si8 Si5 Si6 107.77(12) . . ?
Si8 Si5 Si7 106.47(11) . . ?
Si6 Si5 Si7 107.69(12) . . ?
Si8 Si5 Ag2 109.51(10) . . ?
Si6 Si5 Ag2 108.80(9) . . ?
Si7 Si5 Ag2 116.28(10) . . ?
C16 Si6 C15 107.4(6) . . ?
C16 Si6 C14 107.2(6) . . ?
C15 Si6 C14 106.5(6) . . ?
C16 Si6 Si5 110.4(4) . . ?
C15 Si6 Si5 109.3(4) . . ?
C14 Si6 Si5 115.6(4) . . ?
C18 Si7 C17 105.3(6) . . ?
C18 Si7 C19 107.7(6) . . ?
C17 Si7 C19 105.3(6) . . ?
C18 Si7 Si5 114.7(4) . . ?
C17 Si7 Si5 112.5(3) . . ?
C19 Si7 Si5 110.8(4) . . ?
C20 Si8 C21 107.6(6) . . ?
C20 Si8 C22 106.6(6) . . ?
C21 Si8 C22 106.3(6) . . ?
C20 Si8 Si5 114.6(3) . . ?
C21 Si8 Si5 109.6(4) . . ?
C22 Si8 Si5 111.6(4) . . ?
C1 N1 C2 107.0(7) . . ?
C1 N1 Ag1 128.1(6) . . ?
C2 N1 Ag1 124.8(6) . . ?
C1 N2 C3 108.0(7) . . ?
C1 N2 C4 126.5(9) . . ?
C3 N2 C4 125.4(8) . . ?
N1 C1 N2 110.3(8) . . ?
N1 C1 H1 124.8 . . ?
N2 C1 H1 124.8 . . ?
C3 C2 N1 108.0(8) . . ?
C3 C2 H2 126.0 . . ?
N1 C2 H2 126.0 . . ?
N2 C3 C2 106.6(8) . . ?
N2 C3 H3 126.7 . . ?
C2 C3 H3 126.7 . . ?
N2 C4 H4A 109.5 . . ?
N2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si3 C8 H8A 109.5 . . ?
Si3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si3 C10 H10A 109.5 . . ?
Si3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si4 C11 H11A 109.5 . . ?
Si4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si4 C12 H12A 109.5 . . ?
Si4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si4 C13 H13A 109.5 . . ?
Si4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si6 C14 H14A 109.5 . . ?
Si6 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si6 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si6 C15 H15A 109.5 . . ?
Si6 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si6 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si6 C16 H16A 109.5 . . ?
Si6 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si6 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si7 C17 H17A 109.5 . . ?
Si7 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si7 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si7 C18 H18A 109.5 . . ?
Si7 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si7 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si7 C19 H19A 109.5 . . ?
Si7 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si7 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si8 C20 H20A 109.5 . . ?
Si8 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si8 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si8 C21 H21A 109.5 . . ?
Si8 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si8 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si8 C22 H22A 109.5 . . ?
Si8 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si8 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.710
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.088
####################################################################### 
# 
# 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_compound13
_database_code_depnum_ccdc_archive 'CCDC 1037733'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C32 H74 Ag2 N4 Si8'
_chemical_formula_weight         955.41

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'
Si Si 0.0817 0.0704 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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'

_cell_length_a                   14.0170(4)
_cell_length_b                   21.7790(5)
_cell_length_c                   19.3560(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 121.6380(14)
_cell_angle_gamma                90.00
_cell_volume                     5030.7(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    17980
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       Plate
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2000
_exptl_absorpt_coefficient_mu    0.993
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8901
_exptl_absorpt_correction_T_max  0.9248
_exptl_absorpt_process_details   'SORTAV: (Blessing, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            36692
_diffrn_reflns_av_R_equivalents  0.0729
_diffrn_reflns_av_sigmaI/netI    0.0576
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         27.68
_reflns_number_total             11588
_reflns_number_gt                8446
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1991)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+13.0796P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11588
_refine_ls_number_parameters     437
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1020
_refine_ls_R_factor_gt           0.0683
_refine_ls_wR_factor_ref         0.1159
_refine_ls_wR_factor_gt          0.1051
_refine_ls_goodness_of_fit_ref   1.195
_refine_ls_restrained_S_all      1.195
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.42499(3) 0.15325(2) 0.73076(3) 0.05134(12) Uani 1 1 d . . .
Ag2 Ag 0.59913(3) 0.179158(18) 0.71351(2) 0.04347(11) Uani 1 1 d . . .
Si1 Si 0.42906(11) 0.25116(7) 0.66924(9) 0.0409(3) Uani 1 1 d . . .
Si2 Si 0.54993(13) 0.33316(7) 0.73860(11) 0.0560(4) Uani 1 1 d . . .
Si3 Si 0.26623(12) 0.27388(8) 0.67140(10) 0.0499(4) Uani 1 1 d . . .
Si4 Si 0.37539(13) 0.24999(8) 0.53278(10) 0.0539(4) Uani 1 1 d . . .
Si5 Si 0.76955(11) 0.12889(7) 0.74102(9) 0.0427(3) Uani 1 1 d . . .
Si6 Si 0.86730(13) 0.10052(8) 0.87715(10) 0.0556(4) Uani 1 1 d . . .
Si7 Si 0.72396(14) 0.03951(8) 0.66546(12) 0.0619(5) Uani 1 1 d . . .
Si8 Si 0.89457(13) 0.18380(8) 0.71980(11) 0.0554(4) Uani 1 1 d . . .
N1 N 0.5092(4) 0.1206(2) 0.8628(3) 0.0589(13) Uani 1 1 d . . .
N2 N 0.7452(5) 0.0490(3) 1.0899(3) 0.0778(17) Uani 1 1 d . . .
N3 N 0.2997(4) 0.0734(2) 0.6761(3) 0.0521(12) Uani 1 1 d . . .
N4 N 0.0782(4) -0.0740(2) 0.5714(3) 0.0693(15) Uani 1 1 d . . .
C1 C 0.5923(6) 0.1539(3) 0.9213(4) 0.0705(19) Uani 1 1 d . . .
H1 H 0.5976 0.1947 0.9096 0.085 Uiso 1 1 calc R . .
C2 C 0.6695(6) 0.1333(3) 0.9962(4) 0.075(2) Uani 1 1 d . . .
H2 H 0.7245 0.1598 1.0336 0.090 Uiso 1 1 calc R . .
C3 C 0.6668(5) 0.0729(3) 1.0171(4) 0.0594(16) Uani 1 1 d . . .
C4 C 0.5798(5) 0.0373(3) 0.9581(4) 0.0568(15) Uani 1 1 d . . .
H4 H 0.5720 -0.0034 0.9686 0.068 Uiso 1 1 calc R . .
C5 C 0.5056(5) 0.0631(3) 0.8845(4) 0.0612(16) Uani 1 1 d . . .
H5 H 0.4479 0.0382 0.8464 0.073 Uiso 1 1 calc R . .
C6 C 0.8409(7) 0.0859(4) 1.1460(4) 0.104(3) Uani 1 1 d . . .
H6A H 0.8765 0.1019 1.1189 0.157 Uiso 1 1 calc R . .
H6B H 0.8932 0.0610 1.1911 0.157 Uiso 1 1 calc R . .
H6C H 0.8163 0.1193 1.1653 0.157 Uiso 1 1 calc R . .
C7 C 0.7483(6) -0.0160(4) 1.1046(5) 0.095(3) Uani 1 1 d . . .
H7A H 0.6798 -0.0283 1.1004 0.142 Uiso 1 1 calc R . .
H7B H 0.8104 -0.0251 1.1580 0.142 Uiso 1 1 calc R . .
H7C H 0.7570 -0.0378 1.0651 0.142 Uiso 1 1 calc R . .
C8 C 0.2207(5) 0.0610(3) 0.6923(4) 0.0558(15) Uani 1 1 d . . .
H8 H 0.2162 0.0865 0.7290 0.067 Uiso 1 1 calc R . .
C9 C 0.1460(4) 0.0142(3) 0.6595(4) 0.0537(14) Uani 1 1 d . . .
H9 H 0.0927 0.0090 0.6738 0.064 Uiso 1 1 calc R . .
C10 C 0.1486(4) -0.0259(3) 0.6047(3) 0.0500(14) Uani 1 1 d . . .
C11 C 0.2310(5) -0.0133(3) 0.5879(4) 0.0612(16) Uani 1 1 d . . .
H11 H 0.2385 -0.0381 0.5519 0.073 Uiso 1 1 calc R . .
C12 C 0.3009(5) 0.0350(3) 0.6235(4) 0.0604(16) Uani 1 1 d . . .
H12 H 0.3545 0.0419 0.6098 0.072 Uiso 1 1 calc R . .
C13 C -0.0072(6) -0.0851(3) 0.5894(5) 0.092(2) Uani 1 1 d . . .
H13A H 0.0270 -0.0938 0.6462 0.138 Uiso 1 1 calc R . .
H13B H -0.0518 -0.1196 0.5584 0.138 Uiso 1 1 calc R . .
H13C H -0.0540 -0.0495 0.5758 0.138 Uiso 1 1 calc R . .
C14 C 0.0859(6) -0.1157(3) 0.5167(5) 0.098(3) Uani 1 1 d . . .
H14A H 0.0661 -0.0945 0.4674 0.146 Uiso 1 1 calc R . .
H14B H 0.0356 -0.1495 0.5046 0.146 Uiso 1 1 calc R . .
H14C H 0.1612 -0.1308 0.5416 0.146 Uiso 1 1 calc R . .
C15 C 0.5609(7) 0.3439(4) 0.8385(4) 0.098(3) Uani 1 1 d . . .
H15A H 0.6014 0.3810 0.8635 0.147 Uiso 1 1 calc R . .
H15B H 0.5999 0.3096 0.8731 0.147 Uiso 1 1 calc R . .
H15C H 0.4872 0.3466 0.8300 0.147 Uiso 1 1 calc R . .
C16 C 0.5002(7) 0.4070(3) 0.6844(5) 0.112(3) Uani 1 1 d . . .
H16A H 0.5476 0.4396 0.7186 0.168 Uiso 1 1 calc R . .
H16B H 0.4247 0.4142 0.6705 0.168 Uiso 1 1 calc R . .
H16C H 0.5027 0.4056 0.6357 0.168 Uiso 1 1 calc R . .
C17 C 0.6932(5) 0.3228(3) 0.7592(6) 0.108(3) Uani 1 1 d . . .
H17A H 0.6907 0.3198 0.7088 0.162 Uiso 1 1 calc R . .
H17B H 0.7250 0.2860 0.7902 0.162 Uiso 1 1 calc R . .
H17C H 0.7385 0.3574 0.7894 0.162 Uiso 1 1 calc R . .
C18 C 0.2217(5) 0.3556(3) 0.6467(5) 0.083(2) Uani 1 1 d . . .
H18A H 0.2164 0.3665 0.5968 0.125 Uiso 1 1 calc R . .
H18B H 0.2758 0.3815 0.6896 0.125 Uiso 1 1 calc R . .
H18C H 0.1500 0.3608 0.6411 0.125 Uiso 1 1 calc R . .
C19 C 0.1461(4) 0.2261(3) 0.5955(4) 0.0633(17) Uani 1 1 d . . .
H19A H 0.0808 0.2355 0.5977 0.095 Uiso 1 1 calc R . .
H19B H 0.1643 0.1834 0.6075 0.095 Uiso 1 1 calc R . .
H19C H 0.1313 0.2348 0.5421 0.095 Uiso 1 1 calc R . .
C20 C 0.2820(5) 0.2570(4) 0.7714(4) 0.083(2) Uani 1 1 d . . .
H20A H 0.3423 0.2810 0.8129 0.125 Uiso 1 1 calc R . .
H20B H 0.2979 0.2142 0.7837 0.125 Uiso 1 1 calc R . .
H20C H 0.2137 0.2672 0.7690 0.125 Uiso 1 1 calc R . .
C21 C 0.2951(7) 0.1790(4) 0.4828(4) 0.097(3) Uani 1 1 d . . .
H21A H 0.2313 0.1765 0.4886 0.146 Uiso 1 1 calc R . .
H21B H 0.3422 0.1439 0.5077 0.146 Uiso 1 1 calc R . .
H21C H 0.2703 0.1801 0.4262 0.146 Uiso 1 1 calc R . .
C22 C 0.5000(6) 0.2486(5) 0.5231(4) 0.111(3) Uani 1 1 d . . .
H22A H 0.4764 0.2452 0.4669 0.166 Uiso 1 1 calc R . .
H22B H 0.5462 0.2140 0.5524 0.166 Uiso 1 1 calc R . .
H22C H 0.5420 0.2858 0.5450 0.166 Uiso 1 1 calc R . .
C23 C 0.2878(7) 0.3166(4) 0.4739(4) 0.113(3) Uani 1 1 d . . .
H23A H 0.2650 0.3121 0.4180 0.169 Uiso 1 1 calc R . .
H23B H 0.3304 0.3537 0.4951 0.169 Uiso 1 1 calc R . .
H23C H 0.2227 0.3185 0.4782 0.169 Uiso 1 1 calc R . .
C24 C 0.8867(6) 0.1681(4) 0.9426(4) 0.091(2) Uani 1 1 d . . .
H24A H 0.8148 0.1835 0.9293 0.137 Uiso 1 1 calc R . .
H24B H 0.9268 0.1997 0.9336 0.137 Uiso 1 1 calc R . .
H24C H 0.9286 0.1560 0.9986 0.137 Uiso 1 1 calc R . .
C25 C 0.7863(5) 0.0409(3) 0.8944(4) 0.0670(17) Uani 1 1 d . . .
H25A H 0.8205 0.0340 0.9516 0.100 Uiso 1 1 calc R . .
H25B H 0.7861 0.0033 0.8684 0.100 Uiso 1 1 calc R . .
H25C H 0.7106 0.0547 0.8721 0.100 Uiso 1 1 calc R . .
C26 C 1.0108(5) 0.0689(4) 0.9156(4) 0.092(3) Uani 1 1 d . . .
H26A H 1.0529 0.0974 0.9040 0.138 Uiso 1 1 calc R . .
H26B H 1.0049 0.0305 0.8893 0.138 Uiso 1 1 calc R . .
H26C H 1.0483 0.0627 0.9731 0.138 Uiso 1 1 calc R . .
C27 C 0.6077(6) -0.0014(3) 0.6647(5) 0.089(2) Uani 1 1 d . . .
H27A H 0.5405 0.0227 0.6359 0.133 Uiso 1 1 calc R . .
H27B H 0.6262 -0.0076 0.7195 0.133 Uiso 1 1 calc R . .
H27C H 0.5961 -0.0404 0.6384 0.133 Uiso 1 1 calc R . .
C28 C 0.8410(6) -0.0184(4) 0.7043(6) 0.131(4) Uani 1 1 d . . .
H28A H 0.8732 -0.0243 0.7615 0.197 Uiso 1 1 calc R . .
H28B H 0.8976 -0.0037 0.6946 0.197 Uiso 1 1 calc R . .
H28C H 0.8120 -0.0567 0.6765 0.197 Uiso 1 1 calc R . .
C29 C 0.6766(9) 0.0568(5) 0.5588(5) 0.146(4) Uani 1 1 d . . .
H29A H 0.6641 0.0191 0.5295 0.219 Uiso 1 1 calc R . .
H29B H 0.7330 0.0804 0.5568 0.219 Uiso 1 1 calc R . .
H29C H 0.6082 0.0799 0.5346 0.219 Uiso 1 1 calc R . .
C30 C 1.0100(5) 0.1350(3) 0.7275(4) 0.073(2) Uani 1 1 d . . .
H30A H 0.9784 0.1031 0.6874 0.110 Uiso 1 1 calc R . .
H30B H 1.0518 0.1170 0.7806 0.110 Uiso 1 1 calc R . .
H30C H 1.0589 0.1600 0.7185 0.110 Uiso 1 1 calc R . .
C31 C 0.8228(6) 0.2190(3) 0.6167(5) 0.088(2) Uani 1 1 d . . .
H31A H 0.8766 0.2406 0.6095 0.132 Uiso 1 1 calc R . .
H31B H 0.7664 0.2471 0.6111 0.132 Uiso 1 1 calc R . .
H31C H 0.7883 0.1873 0.5764 0.132 Uiso 1 1 calc R . .
C32 C 0.9655(5) 0.2472(3) 0.7952(5) 0.087(2) Uani 1 1 d . . .
H32A H 1.0129 0.2698 0.7823 0.130 Uiso 1 1 calc R . .
H32B H 1.0100 0.2300 0.8487 0.130 Uiso 1 1 calc R . .
H32C H 0.9100 0.2741 0.7934 0.130 Uiso 1 1 calc R . .


_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 N1 2.295(5) . ?
Ag1 N3 2.297(5) . ?
Ag1 Si1 2.4577(15) . ?
Ag1 Ag2 2.6913(6) . ?
Ag2 Si5 2.4195(14) . ?
Ag2 Si1 2.5949(14) . ?
Si1 Si4 2.336(2) . ?
Si1 Si2 2.340(2) . ?
Si1 Si3 2.357(2) . ?
Si2 C17 1.845(7) . ?
Si2 C16 1.845(7) . ?
Si2 C15 1.871(8) . ?
Si3 C18 1.863(6) . ?
Si3 C20 1.866(6) . ?
Si3 C19 1.866(6) . ?
Si4 C22 1.853(7) . ?
Si4 C23 1.856(7) . ?
Si4 C21 1.857(7) . ?
Si5 Si7 2.314(2) . ?
Si5 Si6 2.327(2) . ?
Si5 Si8 2.329(2) . ?
Si6 C25 1.867(6) . ?
Si6 C24 1.867(7) . ?
Si6 C26 1.872(6) . ?
Si7 C29 1.845(8) . ?
Si7 C27 1.850(7) . ?
Si7 C28 1.886(7) . ?
Si8 C31 1.865(7) . ?
Si8 C32 1.871(7) . ?
Si8 C30 1.875(6) . ?
N1 C5 1.330(7) . ?
N1 C1 1.335(8) . ?
N2 C3 1.356(7) . ?
N2 C7 1.438(9) . ?
N2 C6 1.449(9) . ?
N3 C12 1.323(7) . ?
N3 C8 1.328(7) . ?
N4 C10 1.348(7) . ?
N4 C13 1.432(8) . ?
N4 C14 1.442(8) . ?
C1 C2 1.351(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.383(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.389(8) . ?
C4 C5 1.368(8) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.357(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.390(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.382(8) . ?
C11 C12 1.354(8) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?

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
N1 Ag1 N3 95.78(18) . . ?
N1 Ag1 Si1 132.81(14) . . ?
N3 Ag1 Si1 129.79(12) . . ?
N1 Ag1 Ag2 103.47(13) . . ?
N3 Ag1 Ag2 128.70(12) . . ?
Si1 Ag1 Ag2 60.32(3) . . ?
Si5 Ag2 Si1 167.45(5) . . ?
Si5 Ag2 Ag1 137.12(4) . . ?
Si1 Ag2 Ag1 55.37(3) . . ?
Si4 Si1 Si2 111.33(9) . . ?
Si4 Si1 Si3 106.37(7) . . ?
Si2 Si1 Si3 104.24(8) . . ?
Si4 Si1 Ag1 117.57(7) . . ?
Si2 Si1 Ag1 125.31(7) . . ?
Si3 Si1 Ag1 84.53(6) . . ?
Si4 Si1 Ag2 93.55(6) . . ?
Si2 Si1 Ag2 90.49(6) . . ?
Si3 Si1 Ag2 148.36(8) . . ?
Ag1 Si1 Ag2 64.30(4) . . ?
C17 Si2 C16 105.8(4) . . ?
C17 Si2 C15 107.5(4) . . ?
C16 Si2 C15 106.3(4) . . ?
C17 Si2 Si1 114.2(2) . . ?
C16 Si2 Si1 113.3(3) . . ?
C15 Si2 Si1 109.3(2) . . ?
C18 Si3 C20 107.2(3) . . ?
C18 Si3 C19 106.7(3) . . ?
C20 Si3 C19 105.9(3) . . ?
C18 Si3 Si1 113.2(2) . . ?
C20 Si3 Si1 112.9(2) . . ?
C19 Si3 Si1 110.6(2) . . ?
C22 Si4 C23 107.8(4) . . ?
C22 Si4 C21 106.2(4) . . ?
C23 Si4 C21 107.8(4) . . ?
C22 Si4 Si1 110.7(2) . . ?
C23 Si4 Si1 113.7(3) . . ?
C21 Si4 Si1 110.2(2) . . ?
Si7 Si5 Si6 107.20(9) . . ?
Si7 Si5 Si8 107.72(9) . . ?
Si6 Si5 Si8 106.58(8) . . ?
Si7 Si5 Ag2 109.15(7) . . ?
Si6 Si5 Ag2 107.23(7) . . ?
Si8 Si5 Ag2 118.43(7) . . ?
C25 Si6 C24 108.2(3) . . ?
C25 Si6 C26 107.5(3) . . ?
C24 Si6 C26 106.1(3) . . ?
C25 Si6 Si5 109.6(2) . . ?
C24 Si6 Si5 110.4(3) . . ?
C26 Si6 Si5 114.8(2) . . ?
C29 Si7 C27 106.9(4) . . ?
C29 Si7 C28 108.0(5) . . ?
C27 Si7 C28 105.1(4) . . ?
C29 Si7 Si5 110.7(3) . . ?
C27 Si7 Si5 111.1(3) . . ?
C28 Si7 Si5 114.6(3) . . ?
C31 Si8 C32 107.4(4) . . ?
C31 Si8 C30 106.1(3) . . ?
C32 Si8 C30 105.8(3) . . ?
C31 Si8 Si5 111.5(2) . . ?
C32 Si8 Si5 112.5(2) . . ?
C30 Si8 Si5 113.1(2) . . ?
C5 N1 C1 113.9(5) . . ?
C5 N1 Ag1 124.1(4) . . ?
C1 N1 Ag1 119.1(4) . . ?
C3 N2 C7 120.5(6) . . ?
C3 N2 C6 119.5(6) . . ?
C7 N2 C6 118.6(6) . . ?
C12 N3 C8 113.7(5) . . ?
C12 N3 Ag1 121.2(4) . . ?
C8 N3 Ag1 125.1(4) . . ?
C10 N4 C13 120.8(6) . . ?
C10 N4 C14 121.4(6) . . ?
C13 N4 C14 117.8(6) . . ?
N1 C1 C2 125.5(6) . . ?
N1 C1 H1 117.2 . . ?
C2 C1 H1 117.2 . . ?
C1 C2 C3 120.0(6) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
N2 C3 C2 122.5(7) . . ?
N2 C3 C4 121.6(6) . . ?
C2 C3 C4 115.9(6) . . ?
C5 C4 C3 119.2(6) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N1 C5 C4 125.5(6) . . ?
N1 C5 H5 117.3 . . ?
C4 C5 H5 117.3 . . ?
N2 C6 H6A 109.5 . . ?
N2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 H7A 109.5 . . ?
N2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N3 C8 C9 125.3(6) . . ?
N3 C8 H8 117.4 . . ?
C9 C8 H8 117.4 . . ?
C8 C9 C10 120.4(5) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
N4 C10 C11 122.4(6) . . ?
N4 C10 C9 123.2(6) . . ?
C11 C10 C9 114.5(5) . . ?
C12 C11 C10 120.3(6) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
N3 C12 C11 125.8(6) . . ?
N3 C12 H12 117.1 . . ?
C11 C12 H12 117.1 . . ?
N4 C13 H13A 109.5 . . ?
N4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N4 C14 H14A 109.5 . . ?
N4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si2 C17 H17A 109.5 . . ?
Si2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si3 C18 H18A 109.5 . . ?
Si3 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si3 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si3 C19 H19A 109.5 . . ?
Si3 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si3 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si3 C20 H20A 109.5 . . ?
Si3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si4 C21 H21A 109.5 . . ?
Si4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C22 H22A 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si4 C23 H23A 109.5 . . ?
Si4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si6 C24 H24A 109.5 . . ?
Si6 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si6 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si6 C25 H25A 109.5 . . ?
Si6 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si6 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si6 C26 H26A 109.5 . . ?
Si6 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si6 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si7 C27 H27A 109.5 . . ?
Si7 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si7 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si7 C28 H28A 109.5 . . ?
Si7 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si7 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si7 C29 H29A 109.5 . . ?
Si7 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si7 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si8 C30 H30A 109.5 . . ?
Si8 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si8 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si8 C31 H31A 109.5 . . ?
Si8 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si8 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si8 C32 H32A 109.5 . . ?
Si8 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si8 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        27.68
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         0.658
_refine_diff_density_min         -0.407
_refine_diff_density_rms         0.089
####################################################################### 
# 
# 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_compound14
_database_code_depnum_ccdc_archive 'CCDC 1037734'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C28 H62 Cu2 N2 Si8'
_chemical_formula_weight         778.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca

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

_cell_length_a                   19.6672(8)
_cell_length_b                   18.8226(6)
_cell_length_c                   23.8417(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8825.9(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9888
_cell_measurement_theta_min      3.71
_cell_measurement_theta_max      68.29

_exptl_crystal_description       Needle
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.172
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3312
_exptl_absorpt_coefficient_mu    3.408
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5790
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            44479
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.71
_diffrn_reflns_theta_max         68.50
_reflns_number_total             7908
_reflns_number_gt                6444
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0586P)²+1.0081P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7908
_refine_ls_number_parameters     361
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0346
_refine_ls_wR_factor_ref         0.0978
_refine_ls_wR_factor_gt          0.0902
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.915935(19) 0.675393(16) 0.929528(14) 0.04569(10) Uani 1 1 d . . .
Cu2 Cu 0.866720(16) 0.737922(16) 0.851750(13) 0.03924(10) Uani 1 1 d . . .
Si1 Si 0.92853(3) 0.79768(3) 0.92404(2) 0.03670(13) Uani 1 1 d . . .
Si2 Si 0.98812(4) 0.85964(4) 0.85351(3) 0.05323(18) Uani 1 1 d . . .
Si3 Si 0.83985(4) 0.86916(3) 0.95822(3) 0.04959(16) Uani 1 1 d . . .
Si4 Si 1.00745(4) 0.78277(4) 0.99759(3) 0.05068(17) Uani 1 1 d . . .
Si5 Si 0.80004(3) 0.70211(3) 0.77912(2) 0.03733(13) Uani 1 1 d . . .
Si6 Si 0.84977(4) 0.60489(4) 0.73371(3) 0.05493(18) Uani 1 1 d . . .
Si7 Si 0.69703(4) 0.66158(5) 0.81576(4) 0.0613(2) Uani 1 1 d . . .
Si8 Si 0.77657(3) 0.78697(4) 0.71061(3) 0.04755(16) Uani 1 1 d . . .
N1 N 0.86773(11) 0.60110(10) 0.98012(9) 0.0494(5) Uani 1 1 d . . .
N2 N 0.96944(11) 0.58477(10) 0.90839(9) 0.0488(5) Uani 1 1 d . . .
C1 C 0.89095(13) 0.53494(12) 0.97443(10) 0.0466(5) Uani 1 1 d . . .
C2 C 0.86693(17) 0.48004(14) 1.00818(14) 0.0659(8) Uani 1 1 d . . .
H2A H 0.8844 0.4333 1.0041 0.079 Uiso 1 1 calc R . .
C3 C 0.81778(18) 0.49432(17) 1.04738(14) 0.0737(9) Uani 1 1 d . . .
H3A H 0.8012 0.4575 1.0709 0.088 Uiso 1 1 calc R . .
C4 C 0.79279(17) 0.56164(17) 1.05252(13) 0.0685(8) Uani 1 1 d . . .
H4A H 0.7581 0.5725 1.0789 0.082 Uiso 1 1 calc R . .
C5 C 0.81959(17) 0.61324(16) 1.01819(13) 0.0647(7) Uani 1 1 d . . .
H5A H 0.8028 0.6603 1.0219 0.078 Uiso 1 1 calc R . .
C6 C 0.94435(13) 0.52468(12) 0.93103(11) 0.0497(6) Uani 1 1 d . . .
C7 C 0.96570(17) 0.45859(15) 0.91326(14) 0.0688(8) Uani 1 1 d . . .
H7A H 0.9468 0.4168 0.9292 0.083 Uiso 1 1 calc R . .
C8 C 1.01443(19) 0.45398(17) 0.87240(17) 0.0829(10) Uani 1 1 d . . .
H8A H 1.0298 0.4088 0.8600 0.099 Uiso 1 1 calc R . .
C9 C 1.04102(18) 0.51476(18) 0.84949(15) 0.0746(9) Uani 1 1 d . . .
H9A H 1.0751 0.5127 0.8213 0.090 Uiso 1 1 calc R . .
C10 C 1.01653(15) 0.57911(15) 0.86882(13) 0.0620(7) Uani 1 1 d . . .
H10A H 1.0344 0.6215 0.8529 0.074 Uiso 1 1 calc R . .
C11 C 1.02383(18) 0.7960(2) 0.80126(16) 0.0858(11) Uani 1 1 d . . .
H11A H 1.0484 0.8223 0.7722 0.129 Uiso 1 1 calc R . .
H11B H 0.9867 0.7690 0.7840 0.129 Uiso 1 1 calc R . .
H11C H 1.0551 0.7632 0.8201 0.129 Uiso 1 1 calc R . .
C12 C 0.9312(2) 0.9227(2) 0.81477(17) 0.1012(14) Uani 1 1 d . . .
H12A H 0.9574 0.9475 0.7858 0.152 Uiso 1 1 calc R . .
H12B H 0.9122 0.9574 0.8411 0.152 Uiso 1 1 calc R . .
H12C H 0.8941 0.8961 0.7971 0.152 Uiso 1 1 calc R . .
C13 C 1.0610(2) 0.9147(2) 0.88029(17) 0.1068(15) Uani 1 1 d . . .
H13A H 1.0832 0.9387 0.8488 0.160 Uiso 1 1 calc R . .
H13B H 1.0939 0.8838 0.8992 0.160 Uiso 1 1 calc R . .
H13C H 1.0439 0.9502 0.9068 0.160 Uiso 1 1 calc R . .
C14 C 0.7760(2) 0.8897(2) 0.90246(18) 0.0989(14) Uani 1 1 d . . .
H14A H 0.7399 0.9196 0.9182 0.148 Uiso 1 1 calc R . .
H14B H 0.7563 0.8454 0.8883 0.148 Uiso 1 1 calc R . .
H14C H 0.7983 0.9151 0.8716 0.148 Uiso 1 1 calc R . .
C15 C 0.8687(2) 0.95592(18) 0.98759(19) 0.0944(13) Uani 1 1 d . . .
H15A H 0.8293 0.9828 1.0010 0.142 Uiso 1 1 calc R . .
H15B H 0.8921 0.9831 0.9583 0.142 Uiso 1 1 calc R . .
H15C H 0.9000 0.9474 1.0189 0.142 Uiso 1 1 calc R . .
C16 C 0.7925(2) 0.8195(2) 1.01418(19) 0.1068(16) Uani 1 1 d . . .
H16A H 0.7554 0.8492 1.0285 0.160 Uiso 1 1 calc R . .
H16B H 0.8236 0.8077 1.0449 0.160 Uiso 1 1 calc R . .
H16C H 0.7736 0.7757 0.9983 0.160 Uiso 1 1 calc R . .
C17 C 0.97322(19) 0.7271(2) 1.05580(14) 0.0839(11) Uani 1 1 d . . .
H17A H 1.0077 0.7225 1.0852 0.126 Uiso 1 1 calc R . .
H17B H 0.9615 0.6799 1.0414 0.126 Uiso 1 1 calc R . .
H17C H 0.9325 0.7497 1.0714 0.126 Uiso 1 1 calc R . .
C18 C 1.0334(2) 0.86876(18) 1.03081(17) 0.1072(16) Uani 1 1 d . . .
H18A H 1.0660 0.8594 1.0609 0.161 Uiso 1 1 calc R . .
H18B H 0.9932 0.8924 1.0463 0.161 Uiso 1 1 calc R . .
H18C H 1.0544 0.8994 1.0025 0.161 Uiso 1 1 calc R . .
C19 C 1.08591(17) 0.7350(2) 0.97260(18) 0.0943(12) Uani 1 1 d . . .
H19A H 1.1178 0.7295 1.0039 0.141 Uiso 1 1 calc R . .
H19B H 1.1075 0.7626 0.9426 0.141 Uiso 1 1 calc R . .
H19C H 1.0733 0.6881 0.9582 0.141 Uiso 1 1 calc R . .
C20 C 0.8586(2) 0.52878(16) 0.78424(17) 0.0894(12) Uani 1 1 d . . .
H20A H 0.8795 0.4882 0.7651 0.134 Uiso 1 1 calc R . .
H20B H 0.8136 0.5152 0.7982 0.134 Uiso 1 1 calc R . .
H20C H 0.8874 0.5433 0.8158 0.134 Uiso 1 1 calc R . .
C21 C 0.93790(18) 0.6265(2) 0.7088(2) 0.0984(13) Uani 1 1 d . . .
H21A H 0.9574 0.5849 0.6900 0.148 Uiso 1 1 calc R . .
H21B H 0.9663 0.6394 0.7409 0.148 Uiso 1 1 calc R . .
H21C H 0.9360 0.6663 0.6824 0.148 Uiso 1 1 calc R . .
C22 C 0.80128(19) 0.57021(17) 0.67129(14) 0.0814(11) Uani 1 1 d . . .
H22A H 0.8257 0.5298 0.6550 0.122 Uiso 1 1 calc R . .
H22B H 0.7970 0.6079 0.6432 0.122 Uiso 1 1 calc R . .
H22C H 0.7559 0.5549 0.6832 0.122 Uiso 1 1 calc R . .
C23 C 0.6457(2) 0.6061(3) 0.7655(2) 0.1167(17) Uani 1 1 d . . .
H23A H 0.6034 0.5911 0.7837 0.175 Uiso 1 1 calc R . .
H23B H 0.6720 0.5641 0.7546 0.175 Uiso 1 1 calc R . .
H23C H 0.6350 0.6343 0.7321 0.175 Uiso 1 1 calc R . .
C24 C 0.63983(18) 0.7364(2) 0.83753(19) 0.0976(13) Uani 1 1 d . . .
H24A H 0.5973 0.7170 0.8526 0.146 Uiso 1 1 calc R . .
H24B H 0.6298 0.7664 0.8049 0.146 Uiso 1 1 calc R . .
H24C H 0.6625 0.7649 0.8664 0.146 Uiso 1 1 calc R . .
C25 C 0.7134(2) 0.6078(3) 0.8802(2) 0.1200(19) Uani 1 1 d . . .
H25A H 0.6701 0.5908 0.8955 0.180 Uiso 1 1 calc R . .
H25B H 0.7365 0.6373 0.9082 0.180 Uiso 1 1 calc R . .
H25C H 0.7422 0.5671 0.8706 0.180 Uiso 1 1 calc R . .
C26 C 0.71943(19) 0.75497(19) 0.65289(14) 0.0797(10) Uani 1 1 d . . .
H26A H 0.7120 0.7935 0.6259 0.120 Uiso 1 1 calc R . .
H26B H 0.6757 0.7402 0.6688 0.120 Uiso 1 1 calc R . .
H26C H 0.7407 0.7146 0.6338 0.120 Uiso 1 1 calc R . .
C27 C 0.7342(2) 0.86819(15) 0.73970(15) 0.0798(10) Uani 1 1 d . . .
H27A H 0.7255 0.9020 0.7093 0.120 Uiso 1 1 calc R . .
H27D H 0.7639 0.8903 0.7677 0.120 Uiso 1 1 calc R . .
H27B H 0.6911 0.8548 0.7573 0.120 Uiso 1 1 calc R . .
C28 C 0.85778(18) 0.8171(3) 0.67700(17) 0.1024(15) Uani 1 1 d . . .
H28A H 0.8477 0.8528 0.6482 0.154 Uiso 1 1 calc R . .
H28B H 0.8806 0.7764 0.6596 0.154 Uiso 1 1 calc R . .
H28C H 0.8876 0.8379 0.7056 0.154 Uiso 1 1 calc R . .


_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
Cu1 N2 2.067(2) . ?
Cu1 N1 2.076(2) . ?
Cu1 Si1 2.3187(6) . ?
Cu1 Cu2 2.4002(5) . ?
Cu2 Si5 2.2744(7) . ?
Cu2 Si1 2.3903(6) . ?
Si1 Si3 2.3485(9) . ?
Si1 Si2 2.3583(9) . ?
Si1 Si4 2.3585(9) . ?
Si2 C11 1.866(3) . ?
Si2 C12 1.875(4) . ?
Si2 C13 1.880(3) . ?
Si3 C15 1.865(3) . ?
Si3 C14 1.869(4) . ?
Si3 C16 1.877(3) . ?
Si4 C17 1.864(3) . ?
Si4 C18 1.873(3) . ?
Si4 C19 1.883(4) . ?
Si5 Si8 2.3308(9) . ?
Si5 Si7 2.3345(9) . ?
Si5 Si6 2.3402(9) . ?
Si6 C21 1.877(4) . ?
Si6 C20 1.880(3) . ?
Si6 C22 1.884(3) . ?
Si7 C25 1.867(4) . ?
Si7 C24 1.876(4) . ?
Si7 C23 1.883(4) . ?
Si8 C27 1.874(3) . ?
Si8 C28 1.875(3) . ?
Si8 C26 1.876(3) . ?
N1 C5 1.331(4) . ?
N1 C1 1.333(3) . ?
N2 C10 1.326(4) . ?
N2 C6 1.347(3) . ?
C1 C2 1.392(4) . ?
C1 C6 1.487(4) . ?
C2 C3 1.371(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.365(5) . ?
C3 H3A 0.9500 . ?
C4 C5 1.375(4) . ?
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C6 C7 1.380(4) . ?
C7 C8 1.369(5) . ?
C7 H7A 0.9500 . ?
C8 C9 1.371(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.383(4) . ?
C9 H9A 0.9500 . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27D 0.9800 . ?
C27 H27B 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?

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
N2 Cu1 N1 79.52(8) . . ?
N2 Cu1 Si1 138.70(6) . . ?
N1 Cu1 Si1 138.62(6) . . ?
N2 Cu1 Cu2 114.94(6) . . ?
N1 Cu1 Cu2 126.52(6) . . ?
Si1 Cu1 Cu2 60.837(17) . . ?
Si5 Cu2 Si1 169.02(2) . . ?
Si5 Cu2 Cu1 132.49(2) . . ?
Si1 Cu2 Cu1 57.898(17) . . ?
Cu1 Si1 Si3 118.02(3) . . ?
Cu1 Si1 Si2 125.75(3) . . ?
Si3 Si1 Si2 109.46(3) . . ?
Cu1 Si1 Si4 84.85(3) . . ?
Si3 Si1 Si4 107.39(4) . . ?
Si2 Si1 Si4 105.18(3) . . ?
Cu1 Si1 Cu2 61.265(17) . . ?
Si3 Si1 Cu2 98.17(3) . . ?
Si2 Si1 Cu2 88.36(3) . . ?
Si4 Si1 Cu2 144.56(3) . . ?
C11 Si2 C12 107.6(2) . . ?
C11 Si2 C13 107.1(2) . . ?
C12 Si2 C13 105.9(2) . . ?
C11 Si2 Si1 110.21(12) . . ?
C12 Si2 Si1 111.55(13) . . ?
C13 Si2 Si1 114.15(12) . . ?
C15 Si3 C14 106.86(19) . . ?
C15 Si3 C16 108.7(2) . . ?
C14 Si3 C16 106.0(2) . . ?
C15 Si3 Si1 113.94(13) . . ?
C14 Si3 Si1 111.77(12) . . ?
C16 Si3 Si1 109.27(12) . . ?
C17 Si4 C18 105.60(19) . . ?
C17 Si4 C19 105.3(2) . . ?
C18 Si4 C19 108.9(2) . . ?
C17 Si4 Si1 112.50(11) . . ?
C18 Si4 Si1 113.00(12) . . ?
C19 Si4 Si1 111.17(13) . . ?
Cu2 Si5 Si8 116.40(3) . . ?
Cu2 Si5 Si7 108.19(3) . . ?
Si8 Si5 Si7 108.32(4) . . ?
Cu2 Si5 Si6 110.06(3) . . ?
Si8 Si5 Si6 107.12(4) . . ?
Si7 Si5 Si6 106.28(4) . . ?
C21 Si6 C20 106.4(2) . . ?
C21 Si6 C22 106.99(19) . . ?
C20 Si6 C22 106.79(16) . . ?
C21 Si6 Si5 111.30(12) . . ?
C20 Si6 Si5 109.76(13) . . ?
C22 Si6 Si5 115.14(10) . . ?
C25 Si7 C24 106.4(2) . . ?
C25 Si7 C23 108.4(2) . . ?
C24 Si7 C23 105.7(2) . . ?
C25 Si7 Si5 109.58(13) . . ?
C24 Si7 Si5 112.25(12) . . ?
C23 Si7 Si5 114.10(15) . . ?
C27 Si8 C28 106.9(2) . . ?
C27 Si8 C26 105.50(16) . . ?
C28 Si8 C26 107.10(19) . . ?
C27 Si8 Si5 112.81(11) . . ?
C28 Si8 Si5 109.76(12) . . ?
C26 Si8 Si5 114.37(12) . . ?
C5 N1 C1 118.2(2) . . ?
C5 N1 Cu1 127.25(18) . . ?
C1 N1 Cu1 114.44(17) . . ?
C10 N2 C6 118.2(2) . . ?
C10 N2 Cu1 126.54(18) . . ?
C6 N2 Cu1 114.14(18) . . ?
N1 C1 C2 121.2(3) . . ?
N1 C1 C6 115.7(2) . . ?
C2 C1 C6 123.1(2) . . ?
C3 C2 C1 119.2(3) . . ?
C3 C2 H2A 120.4 . . ?
C1 C2 H2A 120.4 . . ?
C4 C3 C2 119.8(3) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
C3 C4 C5 117.7(3) . . ?
C3 C4 H4A 121.2 . . ?
C5 C4 H4A 121.2 . . ?
N1 C5 C4 123.9(3) . . ?
N1 C5 H5A 118.1 . . ?
C4 C5 H5A 118.1 . . ?
N2 C6 C7 121.5(3) . . ?
N2 C6 C1 115.4(2) . . ?
C7 C6 C1 123.1(2) . . ?
C8 C7 C6 119.3(3) . . ?
C8 C7 H7A 120.4 . . ?
C6 C7 H7A 120.4 . . ?
C7 C8 C9 119.8(3) . . ?
C7 C8 H8A 120.1 . . ?
C9 C8 H8A 120.1 . . ?
C8 C9 C10 117.7(3) . . ?
C8 C9 H9A 121.1 . . ?
C10 C9 H9A 121.1 . . ?
N2 C10 C9 123.4(3) . . ?
N2 C10 H10A 118.3 . . ?
C9 C10 H10A 118.3 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si4 C17 H17A 109.5 . . ?
Si4 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si4 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si4 C19 H19A 109.5 . . ?
Si4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si6 C20 H20A 109.5 . . ?
Si6 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si6 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si6 C21 H21A 109.5 . . ?
Si6 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si6 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si6 C22 H22A 109.5 . . ?
Si6 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si6 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si7 C23 H23A 109.5 . . ?
Si7 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si7 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si7 C24 H24A 109.5 . . ?
Si7 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si7 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si7 C25 H25A 109.5 . . ?
Si7 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si7 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si8 C26 H26A 109.5 . . ?
Si8 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si8 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si8 C27 H27A 109.5 . . ?
Si8 C27 H27D 109.5 . . ?
H27A C27 H27D 109.5 . . ?
Si8 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27D C27 H27B 109.5 . . ?
Si8 C28 H28A 109.5 . . ?
Si8 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si8 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.973
_diffrn_reflns_theta_full        68.50
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         0.377
_refine_diff_density_min         -0.285
_refine_diff_density_rms         0.054
####################################################################### 
# 
# 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_compound15
_database_code_depnum_ccdc_archive 'CCDC 1037735'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_formula_sum            'C28 H62 Ag2 N2 Si8'
_chemical_formula_weight         867.26

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca

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

_cell_length_a                   19.7039(9)
_cell_length_b                   18.9384(9)
_cell_length_c                   24.2994(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     9067.6(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9825
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      68.53

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3600
_exptl_absorpt_coefficient_mu    9.093
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5425
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            54330
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_sigmaI/netI    0.0203
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.64
_diffrn_reflns_theta_max         68.63
_reflns_number_total             8349
_reflns_number_gt                7257
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0431P)²+2.5476P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8349
_refine_ls_number_parameters     361
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0278
_refine_ls_wR_factor_ref         0.0757
_refine_ls_wR_factor_gt          0.0716
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.916086(11) 0.322691(9) 0.930820(8) 0.05140(7) Uani 1 1 d . . .
Ag2 Ag 0.857896(9) 0.253623(9) 0.847170(7) 0.04351(6) Uani 1 1 d . . .
Si1 Si 0.92565(3) 0.19274(3) 0.92591(2) 0.03834(13) Uani 1 1 d . . .
Si2 Si 0.98549(4) 0.13118(4) 0.85728(3) 0.05701(18) Uani 1 1 d . . .
Si3 Si 0.83176(4) 0.12895(4) 0.95797(3) 0.05118(16) Uani 1 1 d . . .
Si4 Si 1.00129(4) 0.20617(4) 1.00024(3) 0.05568(18) Uani 1 1 d . . .
Si5 Si 0.78833(3) 0.29322(3) 0.77165(3) 0.03940(13) Uani 1 1 d . . .
Si6 Si 0.84249(4) 0.38943(4) 0.73079(4) 0.05821(19) Uani 1 1 d . . .
Si7 Si 0.77026(4) 0.20680(4) 0.70530(3) 0.05327(17) Uani 1 1 d . . .
Si8 Si 0.68593(4) 0.33275(5) 0.80788(4) 0.0673(2) Uani 1 1 d . . .
N1 N 0.97013(12) 0.42966(12) 0.90950(10) 0.0511(5) Uani 1 1 d . . .
N2 N 0.86812(13) 0.41394(12) 0.98327(10) 0.0552(5) Uani 1 1 d . . .
C1 C 0.94275(14) 0.48794(14) 0.93103(12) 0.0515(6) Uani 1 1 d . . .
C2 C 0.9587(2) 0.55414(17) 0.90986(17) 0.0767(10) Uani 1 1 d . . .
H2A H 0.9379 0.5952 0.9247 0.092 Uiso 1 1 calc R . .
C3 C 1.0040(2) 0.5601(2) 0.8678(2) 0.0915(12) Uani 1 1 d . . .
H3A H 1.0157 0.6052 0.8536 0.110 Uiso 1 1 calc R . .
C4 C 1.0325(2) 0.5001(2) 0.84613(17) 0.0812(10) Uani 1 1 d . . .
H4A H 1.0641 0.5027 0.8167 0.097 Uiso 1 1 calc R . .
C5 C 1.01376(16) 0.43601(17) 0.86828(14) 0.0648(7) Uani 1 1 d . . .
H5A H 1.0331 0.3943 0.8533 0.078 Uiso 1 1 calc R . .
C6 C 0.89389(13) 0.47807(13) 0.97693(11) 0.0487(6) Uani 1 1 d . . .
C7 C 0.87576(18) 0.53304(17) 1.01183(14) 0.0680(8) Uani 1 1 d . . .
H7A H 0.8951 0.5786 1.0072 0.082 Uiso 1 1 calc R . .
C8 C 0.8296(2) 0.5209(2) 1.05308(15) 0.0784(10) Uani 1 1 d . . .
H8A H 0.8169 0.5581 1.0773 0.094 Uiso 1 1 calc R . .
C9 C 0.8019(2) 0.4553(2) 1.05912(15) 0.0771(10) Uani 1 1 d . . .
H9A H 0.7693 0.4460 1.0869 0.093 Uiso 1 1 calc R . .
C10 C 0.82274(18) 0.40340(18) 1.02381(14) 0.0702(8) Uani 1 1 d . . .
H10A H 0.8042 0.3575 1.0281 0.084 Uiso 1 1 calc R . .
C11 C 1.0224(2) 0.1949(2) 0.80693(18) 0.0958(13) Uani 1 1 d . . .
H11A H 1.0473 0.1689 0.7785 0.144 Uiso 1 1 calc R . .
H11B H 1.0535 0.2270 0.8261 0.144 Uiso 1 1 calc R . .
H11C H 0.9858 0.2222 0.7898 0.144 Uiso 1 1 calc R . .
C12 C 1.0572(3) 0.0765(3) 0.88417(19) 0.1122(18) Uani 1 1 d . . .
H12A H 1.0798 0.0526 0.8535 0.168 Uiso 1 1 calc R . .
H12B H 1.0396 0.0412 0.9100 0.168 Uiso 1 1 calc R . .
H12C H 1.0898 0.1070 0.9032 0.168 Uiso 1 1 calc R . .
C13 C 0.9284(3) 0.0703(3) 0.8181(2) 0.1157(18) Uani 1 1 d . . .
H13A H 0.9547 0.0455 0.7899 0.174 Uiso 1 1 calc R . .
H13B H 0.8922 0.0977 0.8005 0.174 Uiso 1 1 calc R . .
H13C H 0.9084 0.0359 0.8434 0.174 Uiso 1 1 calc R . .
C14 C 0.7711(2) 0.1054(3) 0.9018(2) 0.1046(16) Uani 1 1 d . . .
H14A H 0.7328 0.0790 0.9173 0.157 Uiso 1 1 calc R . .
H14B H 0.7943 0.0762 0.8743 0.157 Uiso 1 1 calc R . .
H14C H 0.7544 0.1486 0.8843 0.157 Uiso 1 1 calc R . .
C15 C 0.7840(2) 0.1862(3) 1.0072(2) 0.1155(19) Uani 1 1 d . . .
H15A H 0.7444 0.1605 1.0211 0.173 Uiso 1 1 calc R . .
H15B H 0.7690 0.2292 0.9883 0.173 Uiso 1 1 calc R . .
H15C H 0.8136 0.1990 1.0381 0.173 Uiso 1 1 calc R . .
C16 C 0.8549(2) 0.0441(2) 0.9920(2) 0.1090(17) Uani 1 1 d . . .
H16A H 0.8136 0.0201 1.0045 0.164 Uiso 1 1 calc R . .
H16B H 0.8843 0.0537 1.0237 0.164 Uiso 1 1 calc R . .
H16C H 0.8791 0.0139 0.9658 0.164 Uiso 1 1 calc R . .
C17 C 1.0803(2) 0.2533(3) 0.9780(2) 0.0996(14) Uani 1 1 d . . .
H17A H 1.1110 0.2584 1.0094 0.149 Uiso 1 1 calc R . .
H17B H 1.0683 0.3002 0.9638 0.149 Uiso 1 1 calc R . .
H17C H 1.1028 0.2261 0.9490 0.149 Uiso 1 1 calc R . .
C18 C 0.9636(2) 0.2611(2) 1.05673(15) 0.0916(13) Uani 1 1 d . . .
H18A H 0.9965 0.2656 1.0868 0.137 Uiso 1 1 calc R . .
H18B H 0.9223 0.2383 1.0704 0.137 Uiso 1 1 calc R . .
H18C H 0.9525 0.3081 1.0425 0.137 Uiso 1 1 calc R . .
C19 C 1.0258(3) 0.1202(2) 1.03276(19) 0.1086(17) Uani 1 1 d . . .
H19A H 1.0572 0.1290 1.0633 0.163 Uiso 1 1 calc R . .
H19B H 1.0480 0.0901 1.0053 0.163 Uiso 1 1 calc R . .
H19C H 0.9851 0.0964 1.0467 0.163 Uiso 1 1 calc R . .
C20 C 0.7967(2) 0.4282(2) 0.67013(16) 0.0866(12) Uani 1 1 d . . .
H20A H 0.8228 0.4681 0.6555 0.130 Uiso 1 1 calc R . .
H20B H 0.7517 0.4447 0.6817 0.130 Uiso 1 1 calc R . .
H20C H 0.7916 0.3921 0.6415 0.130 Uiso 1 1 calc R . .
C21 C 0.8527(2) 0.46248(19) 0.78235(19) 0.0976(15) Uani 1 1 d . . .
H21A H 0.8756 0.5027 0.7649 0.146 Uiso 1 1 calc R . .
H21B H 0.8800 0.4456 0.8134 0.146 Uiso 1 1 calc R . .
H21C H 0.8080 0.4773 0.7956 0.146 Uiso 1 1 calc R . .
C22 C 0.9299(2) 0.3650(3) 0.7076(2) 0.1109(17) Uani 1 1 d . . .
H22A H 0.9517 0.4062 0.6906 0.166 Uiso 1 1 calc R . .
H22B H 0.9272 0.3266 0.6807 0.166 Uiso 1 1 calc R . .
H22C H 0.9568 0.3496 0.7393 0.166 Uiso 1 1 calc R . .
C23 C 0.7186(2) 0.2368(2) 0.64496(16) 0.0931(13) Uani 1 1 d . . .
H23A H 0.7133 0.1976 0.6190 0.140 Uiso 1 1 calc R . .
H23B H 0.7417 0.2762 0.6267 0.140 Uiso 1 1 calc R . .
H23C H 0.6738 0.2523 0.6577 0.140 Uiso 1 1 calc R . .
C24 C 0.7258(2) 0.12825(19) 0.73483(17) 0.0876(11) Uani 1 1 d . . .
H24A H 0.7189 0.0929 0.7059 0.131 Uiso 1 1 calc R . .
H24B H 0.6817 0.1428 0.7497 0.131 Uiso 1 1 calc R . .
H24C H 0.7534 0.1079 0.7644 0.131 Uiso 1 1 calc R . .
C25 C 0.8540(2) 0.1748(3) 0.67855(18) 0.0967(14) Uani 1 1 d . . .
H25A H 0.8464 0.1384 0.6506 0.145 Uiso 1 1 calc R . .
H25B H 0.8806 0.1549 0.7089 0.145 Uiso 1 1 calc R . .
H25C H 0.8789 0.2144 0.6622 0.145 Uiso 1 1 calc R . .
C26 C 0.6336(2) 0.3851(3) 0.7580(3) 0.131(2) Uani 1 1 d . . .
H26A H 0.5914 0.4000 0.7759 0.197 Uiso 1 1 calc R . .
H26B H 0.6230 0.3558 0.7259 0.197 Uiso 1 1 calc R . .
H26C H 0.6592 0.4269 0.7462 0.197 Uiso 1 1 calc R . .
C27 C 0.6306(2) 0.2579(3) 0.8318(2) 0.1062(16) Uani 1 1 d . . .
H27A H 0.5881 0.2768 0.8468 0.159 Uiso 1 1 calc R . .
H27B H 0.6543 0.2311 0.8605 0.159 Uiso 1 1 calc R . .
H27C H 0.6205 0.2266 0.8007 0.159 Uiso 1 1 calc R . .
C28 C 0.7033(3) 0.3896(3) 0.8696(2) 0.131(2) Uani 1 1 d . . .
H28A H 0.6603 0.4064 0.8850 0.197 Uiso 1 1 calc R . .
H28B H 0.7311 0.4302 0.8585 0.197 Uiso 1 1 calc R . .
H28C H 0.7277 0.3620 0.8973 0.197 Uiso 1 1 calc R . .


_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 N2 2.346(2) . ?
Ag1 N1 2.347(2) . ?
Ag1 Si1 2.4711(6) . ?
Ag1 Ag2 2.6753(3) . ?
Ag2 Si5 2.4102(6) . ?
Ag2 Si1 2.6024(6) . ?
Si1 Si3 2.3428(10) . ?
Si1 Si2 2.3518(9) . ?
Si1 Si4 2.3554(9) . ?
Si2 C11 1.865(4) . ?
Si2 C12 1.870(4) . ?
Si2 C13 1.871(4) . ?
Si3 C16 1.865(4) . ?
Si3 C14 1.868(4) . ?
Si3 C15 1.869(4) . ?
Si4 C17 1.874(4) . ?
Si4 C19 1.874(4) . ?
Si4 C18 1.875(4) . ?
Si5 Si7 2.3248(9) . ?
Si5 Si8 2.3251(10) . ?
Si5 Si6 2.3334(10) . ?
Si6 C22 1.871(4) . ?
Si6 C21 1.877(4) . ?
Si6 C20 1.878(3) . ?
Si7 C24 1.870(3) . ?
Si7 C23 1.873(4) . ?
Si7 C25 1.874(4) . ?
Si8 C26 1.874(5) . ?
Si8 C28 1.877(5) . ?
Si8 C27 1.881(4) . ?
N1 C5 1.325(4) . ?
N1 C1 1.335(4) . ?
N2 C6 1.325(4) . ?
N2 C10 1.345(4) . ?
C1 C2 1.391(4) . ?
C1 C6 1.485(4) . ?
C2 C3 1.362(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.372(6) . ?
C3 H3A 0.9500 . ?
C4 C5 1.378(5) . ?
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C6 C7 1.389(4) . ?
C7 C8 1.373(5) . ?
C7 H7A 0.9500 . ?
C8 C9 1.365(6) . ?
C8 H8A 0.9500 . ?
C9 C10 1.368(5) . ?
C9 H9A 0.9500 . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?

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
N2 Ag1 N1 70.54(8) . . ?
N2 Ag1 Si1 142.24(6) . . ?
N1 Ag1 Si1 144.54(6) . . ?
N2 Ag1 Ag2 126.89(6) . . ?
N1 Ag1 Ag2 116.67(6) . . ?
Si1 Ag1 Ag2 60.599(15) . . ?
Si5 Ag2 Si1 171.65(2) . . ?
Si5 Ag2 Ag1 132.075(17) . . ?
Si1 Ag2 Ag1 55.817(15) . . ?
Si3 Si1 Si2 112.09(4) . . ?
Si3 Si1 Si4 107.48(4) . . ?
Si2 Si1 Si4 106.26(4) . . ?
Si3 Si1 Ag1 115.93(3) . . ?
Si2 Si1 Ag1 124.48(3) . . ?
Si4 Si1 Ag1 84.47(3) . . ?
Si3 Si1 Ag2 93.89(3) . . ?
Si2 Si1 Ag2 87.45(3) . . ?
Si4 Si1 Ag2 147.19(3) . . ?
Ag1 Si1 Ag2 63.584(15) . . ?
C11 Si2 C12 107.0(2) . . ?
C11 Si2 C13 107.4(2) . . ?
C12 Si2 C13 106.9(3) . . ?
C11 Si2 Si1 109.88(14) . . ?
C12 Si2 Si1 113.94(14) . . ?
C13 Si2 Si1 111.40(15) . . ?
C16 Si3 C14 106.0(2) . . ?
C16 Si3 C15 109.8(2) . . ?
C14 Si3 C15 106.5(3) . . ?
C16 Si3 Si1 113.49(14) . . ?
C14 Si3 Si1 112.66(14) . . ?
C15 Si3 Si1 108.13(14) . . ?
C17 Si4 C19 108.8(2) . . ?
C17 Si4 C18 106.0(2) . . ?
C19 Si4 C18 106.0(2) . . ?
C17 Si4 Si1 110.82(16) . . ?
C19 Si4 Si1 113.13(14) . . ?
C18 Si4 Si1 111.77(13) . . ?
Si7 Si5 Si8 110.88(4) . . ?
Si7 Si5 Si6 108.95(4) . . ?
Si8 Si5 Si6 107.86(4) . . ?
Si7 Si5 Ag2 113.33(3) . . ?
Si8 Si5 Ag2 107.78(4) . . ?
Si6 Si5 Ag2 107.87(3) . . ?
C22 Si6 C21 106.5(2) . . ?
C22 Si6 C20 107.6(2) . . ?
C21 Si6 C20 106.71(18) . . ?
C22 Si6 Si5 110.90(14) . . ?
C21 Si6 Si5 109.91(15) . . ?
C20 Si6 Si5 114.80(12) . . ?
C24 Si7 C23 106.7(2) . . ?
C24 Si7 C25 106.8(2) . . ?
C23 Si7 C25 107.8(2) . . ?
C24 Si7 Si5 111.46(13) . . ?
C23 Si7 Si5 114.36(15) . . ?
C25 Si7 Si5 109.48(13) . . ?
C26 Si8 C28 108.2(3) . . ?
C26 Si8 C27 106.3(3) . . ?
C28 Si8 C27 106.9(3) . . ?
C26 Si8 Si5 113.75(17) . . ?
C28 Si8 Si5 109.18(16) . . ?
C27 Si8 Si5 112.17(14) . . ?
C5 N1 C1 118.9(3) . . ?
C5 N1 Ag1 122.65(19) . . ?
C1 N1 Ag1 116.35(19) . . ?
C6 N2 C10 118.4(3) . . ?
C6 N2 Ag1 117.23(18) . . ?
C10 N2 Ag1 123.8(2) . . ?
N1 C1 C2 120.6(3) . . ?
N1 C1 C6 116.9(2) . . ?
C2 C1 C6 122.5(3) . . ?
C3 C2 C1 120.0(3) . . ?
C3 C2 H2A 120.0 . . ?
C1 C2 H2A 120.0 . . ?
C2 C3 C4 119.2(3) . . ?
C2 C3 H3A 120.4 . . ?
C4 C3 H3A 120.4 . . ?
C3 C4 C5 118.0(3) . . ?
C3 C4 H4A 121.0 . . ?
C5 C4 H4A 121.0 . . ?
N1 C5 C4 123.3(3) . . ?
N1 C5 H5A 118.4 . . ?
C4 C5 H5A 118.4 . . ?
N2 C6 C7 121.1(3) . . ?
N2 C6 C1 116.8(2) . . ?
C7 C6 C1 122.0(3) . . ?
C8 C7 C6 119.4(3) . . ?
C8 C7 H7A 120.3 . . ?
C6 C7 H7A 120.3 . . ?
C9 C8 C7 119.7(3) . . ?
C9 C8 H8A 120.2 . . ?
C7 C8 H8A 120.2 . . ?
C8 C9 C10 117.9(3) . . ?
C8 C9 H9A 121.1 . . ?
C10 C9 H9A 121.1 . . ?
N2 C10 C9 123.5(3) . . ?
N2 C10 H10A 118.2 . . ?
C9 C10 H10A 118.2 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si2 C13 H13A 109.5 . . ?
Si2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si4 C17 H17A 109.5 . . ?
Si4 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si4 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si4 C18 H18A 109.5 . . ?
Si4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si4 C19 H19A 109.5 . . ?
Si4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si6 C20 H20A 109.5 . . ?
Si6 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si6 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si6 C21 H21A 109.5 . . ?
Si6 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si6 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si6 C22 H22A 109.5 . . ?
Si6 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si6 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si7 C23 H23A 109.5 . . ?
Si7 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si7 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si7 C24 H24A 109.5 . . ?
Si7 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si7 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si7 C25 H25A 109.5 . . ?
Si7 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si7 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si8 C26 H26A 109.5 . . ?
Si8 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si8 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si8 C27 H27A 109.5 . . ?
Si8 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si8 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si8 C28 H28A 109.5 . . ?
Si8 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si8 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        68.63
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.520
_refine_diff_density_min         -0.284
_refine_diff_density_rms         0.058
