#------------------------------------------------------------------------------
#$Date: 2017-07-18 05:24:03 +0300 (Tue, 18 Jul 2017) $
#$Revision: 198776 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/36/7043670.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7043670
loop_
_publ_author_name
'Liu, Hongjun'
'Battiato, Sergio'
'Pellegrino, Anna Lucia'
'Paoli, Paola'
'Jiménez, Carmen'
'Rossi, Patrizia'
'Malandrino, Graziella'
'Muñoz-Rojas, David'
_publ_section_title
;
 Deposition of metallic silver coatings by Aerosol Assisted MOCVD using
 two new silver β-Diketonate adduct metalorganic precursors
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01647F
_journal_year                    2017
_chemical_formula_sum            'C17 H9 Ag F6 N2 O2'
_chemical_formula_weight         495.13
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2017-06-12 deposited with the CCDC.
2017-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                102.579(4)
_cell_angle_beta                 105.172(4)
_cell_angle_gamma                103.608(4)
_cell_formula_units_Z            2
_cell_length_a                   7.4309(3)
_cell_length_b                   9.2288(4)
_cell_length_c                   13.1426(6)
_cell_measurement_reflns_used    5861
_cell_measurement_temperature    100
_cell_measurement_theta_max      71.8270
_cell_measurement_theta_min      5.1440
_cell_volume                     807.10(7)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
(compiled Dec  9 2014,15:38:47)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
(compiled Dec  9 2014,15:38:47)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
(compiled Dec  9 2014,15:38:47)
;
_computing_molecular_graphics    'ORTEP-3 (Farruggia, 1997)'
_computing_publication_material  'PARST97 (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2014)'
_computing_structure_solution    'Sir2004 (Burla, 2004)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 8.1241
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Xcalibur, Onyx'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_unetI/netI     0.0569
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8748
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.336
_diffrn_reflns_theta_min         5.165
_exptl_absorpt_coefficient_mu    10.823
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.09227
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
(compiled Dec  9 2014,15:38:47)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.037
_exptl_crystal_description       prism
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.081
_refine_diff_density_min         -1.261
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         3045
_refine_ls_number_restraints     46
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0452P)²+4.2951P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.1169
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2573
_reflns_number_total             3045
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt01647f2.cif
_cod_data_source_block           AgP
_cod_original_cell_volume        807.10(6)
_cod_database_code               7043670
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014-1
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.39857(7) -0.05049(5) 1.08069(3) 0.02134(16) Uani 1 1 d . . . . .
O1 O 0.5242(6) -0.1964(5) 1.1819(3) 0.0241(9) Uani 1 1 d . . . . .
O2 O 0.5761(6) 0.1470(5) 1.2579(3) 0.0218(9) Uani 1 1 d . . . . .
N2 N 0.1814(7) -0.1658(5) 0.9010(4) 0.0165(10) Uani 1 1 d . . . . .
N1 N 0.2736(7) 0.1407(5) 1.0198(4) 0.0180(10) Uani 1 1 d . . . . .
C1 C 0.6095(9) -0.1593(7) 1.2843(5) 0.0203(12) Uani 1 1 d . . . . .
C2 C 0.6746(8) -0.0175(6) 1.3657(4) 0.0175(12) Uani 1 1 d . . . . .
H2 H 0.731(9) -0.010(7) 1.442(6) 0.021 Uiso 1 1 d . U . . .
C3 C 0.6472(8) 0.1217(6) 1.3452(4) 0.0166(11) Uani 1 1 d . . . . .
C4 C 0.6392(9) -0.3012(7) 1.3215(5) 0.0229(13) Uani 1 1 d . . . . .
F4A F 0.7361(6) -0.3747(4) 1.2657(3) 0.0321(9) Uani 1 1 d . . . . .
F4B F 0.7368(6) -0.2680(4) 1.4288(3) 0.0348(9) Uani 1 1 d . . . . .
F4C F 0.4645(5) -0.4066(4) 1.3009(3) 0.0297(8) Uani 1 1 d . . . . .
C5 C 0.7126(7) 0.2633(6) 1.4515(4) 0.0216(12) Uani 1 1 d D . . . .
F5A_a F 0.9006(13) 0.2906(12) 1.5093(8) 0.0333(18) Uani 0.437(3) 1 d D . P A 1
F5B_a F 0.6074(16) 0.2300(14) 1.5148(9) 0.041(2) Uani 0.437(3) 1 d D . P A 1
F5C_a F 0.699(2) 0.3917(11) 1.4228(9) 0.040(3) Uani 0.437(3) 1 d D . P A 1
F5D_b F 0.693(2) 0.2280(12) 1.5425(7) 0.0333(18) Uani 0.409(3) 1 d D . P A 2
F5E_b F 0.8968(14) 0.3500(17) 1.4797(9) 0.041(2) Uani 0.409(3) 1 d D . P A 2
F5F_b F 0.605(2) 0.3612(14) 1.4389(11) 0.040(3) Uani 0.409(3) 1 d D . P A 2
F5G_c F 0.821(4) 0.247(3) 1.5455(14) 0.0333(18) Uani 0.154(3) 1 d D . P A 3
F5H_c F 0.555(2) 0.295(4) 1.467(3) 0.041(2) Uani 0.154(3) 1 d D . P A 3
F5I_c F 0.814(5) 0.393(2) 1.439(3) 0.040(3) Uani 0.154(3) 1 d D . P A 3
C6 C 0.3232(9) 0.2913(7) 1.0759(5) 0.0215(12) Uani 1 1 d . . . . .
H6 H 0.433(10) 0.329(8) 1.147(6) 0.026 Uiso 1 1 d . U . . .
C7 C 0.2356(9) 0.3954(7) 1.0352(5) 0.0222(13) Uani 1 1 d . . . . .
H7 H 0.281(10) 0.502(8) 1.076(6) 0.027 Uiso 1 1 d . U . . .
C8 C 0.0923(9) 0.3421(6) 0.9355(5) 0.0200(12) Uani 1 1 d . . . . .
H8 H 0.025(9) 0.416(8) 0.905(5) 0.024 Uiso 1 1 d . U . . .
C9 C 0.0339(8) 0.1832(7) 0.8740(5) 0.0189(12) Uani 1 1 d . . . . .
C10 C -0.1112(9) 0.1184(7) 0.7655(5) 0.0234(13) Uani 1 1 d . . . . .
H10 H -0.174(10) 0.178(8) 0.744(6) 0.028 Uiso 1 1 d . U . . .
C11 C -0.1576(9) -0.0324(7) 0.7071(5) 0.0210(12) Uani 1 1 d . . . . .
H11 H -0.256(10) -0.068(8) 0.637(6) 0.025 Uiso 1 1 d . U . . .
C12 C -0.0619(8) -0.1334(7) 0.7515(5) 0.0187(12) Uani 1 1 d . . . . .
C13 C -0.1072(9) -0.2927(7) 0.6932(5) 0.0225(13) Uani 1 1 d . . . . .
H13 H -0.211(10) -0.336(8) 0.615(6) 0.027 Uiso 1 1 d . U . . .
C14 C -0.0051(9) -0.3806(7) 0.7383(5) 0.0231(13) Uani 1 1 d . . . . .
H14 H -0.024(10) -0.478(9) 0.699(6) 0.028 Uiso 1 1 d . U . . .
C15 C 0.1387(9) -0.3144(6) 0.8424(5) 0.0183(12) Uani 1 1 d . . . . .
H15 H 0.220(9) -0.382(8) 0.878(5) 0.022 Uiso 1 1 d . U . . .
C16 C 0.0824(8) -0.0764(6) 0.8575(4) 0.0144(8) Uani 1 1 d . . . . .
C17 C 0.1316(8) 0.0871(6) 0.9191(4) 0.0144(8) Uani 1 1 d . . . . .
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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
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_3
O1 Ag1 N2 121.13(15) .
O1 Ag1 N1 165.39(15) .
N2 Ag1 N1 71.42(16) .
O1 Ag1 O2 79.35(14) .
N2 Ag1 O2 158.83(15) .
N1 Ag1 O2 87.59(15) .
O1 Ag1 Ag1 118.01(11) 2_657
N2 Ag1 Ag1 70.99(12) 2_657
N1 Ag1 Ag1 71.68(12) 2_657
O2 Ag1 Ag1 105.54(10) 2_657
C1 O1 Ag1 128.8(4) .
C3 O2 Ag1 125.6(4) .
C15 N2 C16 118.6(5) .
C15 N2 Ag1 125.1(4) .
C16 N2 Ag1 116.2(3) .
C6 N1 C17 118.1(5) .
C6 N1 Ag1 126.6(4) .
C17 N1 Ag1 115.3(3) .
O1 C1 C2 131.4(5) .
O1 C1 C4 111.7(5) .
C2 C1 C4 116.9(5) .
C1 C2 C3 123.4(5) .
O2 C3 C2 130.2(5) .
O2 C3 C5 115.4(5) .
C2 C3 C5 114.4(4) .
F4B C4 F4A 107.0(5) .
F4B C4 F4C 106.6(5) .
F4A C4 F4C 106.5(5) .
F4B C4 C1 114.5(5) .
F4A C4 C1 111.6(5) .
F4C C4 C1 110.2(5) .
F5H_c C5 F5I_c 104(2) .
F5B_a C5 F5C_a 112.8(9) .
F5B_a C5 F5A_a 107.6(8) .
F5C_a C5 F5A_a 107.2(8) .
F5E_b C5 F5D_b 105.8(9) .
F5H_c C5 F5G_c 108(2) .
F5I_c C5 F5G_c 107(2) .
F5E_b C5 F5F_b 105.6(10) .
F5D_b C5 F5F_b 103.1(9) .
F5B_a C5 C3 109.6(6) .
F5E_b C5 C3 113.4(6) .
F5H_c C5 C3 109.0(11) .
F5I_c C5 C3 111.4(13) .
F5C_a C5 C3 109.6(6) .
F5A_a C5 C3 109.9(6) .
F5D_b C5 C3 115.9(6) .
F5G_c C5 C3 116.3(11) .
F5F_b C5 C3 112.0(7) .
N1 C6 C7 122.8(5) .
C8 C7 C6 119.4(5) .
C7 C8 C9 119.6(5) .
C17 C9 C8 117.7(5) .
C17 C9 C10 119.0(5) .
C8 C9 C10 123.2(5) .
C11 C10 C9 121.6(6) .
C10 C11 C12 120.5(5) .
C16 C12 C13 117.3(5) .
C16 C12 C11 120.4(5) .
C13 C12 C11 122.2(5) .
C14 C13 C12 119.2(5) .
C13 C14 C15 119.9(6) .
N2 C15 C14 122.5(5) .
N2 C16 C12 122.5(5) .
N2 C16 C17 119.1(5) .
C12 C16 C17 118.3(5) .
N1 C17 C9 122.4(5) .
N1 C17 C16 117.5(5) .
C9 C17 C16 120.0(5) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O1 2.276(4) .
Ag1 N2 2.327(4) .
Ag1 N1 2.369(5) .
Ag1 O2 2.429(4) .
Ag1 Ag1 3.0842(9) 2_657
O1 C1 1.257(7) .
O2 C3 1.228(7) .
N2 C15 1.335(7) .
N2 C16 1.349(7) .
N1 C6 1.335(7) .
N1 C17 1.359(7) .
C1 C2 1.383(8) .
C1 C4 1.536(8) .
C2 C3 1.417(8) .
C3 C5 1.564(7) .
C4 F4B 1.335(6) .
C4 F4A 1.344(7) .
C4 F4C 1.346(7) .
C5 F5B_a 1.318(9) .
C5 F5E_b 1.319(9) .
C5 F5H_c 1.327(12) .
C5 F5I_c 1.328(12) .
C5 F5C_a 1.336(9) .
C5 F5A_a 1.337(9) .
C5 F5D_b 1.341(9) .
C5 F5G_c 1.347(12) .
C5 F5F_b 1.347(9) .
C6 C7 1.403(9) .
C7 C8 1.355(9) .
C8 C9 1.412(8) .
C9 C17 1.404(8) .
C9 C10 1.440(8) .
C10 C11 1.347(9) .
C11 C12 1.431(8) .
C12 C16 1.414(7) .
C12 C13 1.415(8) .
C13 C14 1.361(9) .
C14 C15 1.396(8) .
C16 C17 1.455(7) .
