#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/16/2001614.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001614
loop_
_publ_author_name
'Jones, P. G.'
_publ_section_title
;
 Di-μ-nitrato-bis[bis(triphenylphosphine)silver(I)],
 [(Ph₃P)₂AgNO₃]₂, at 178 K
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1148
_journal_page_last               1150
_journal_paper_doi               10.1107/S0108270192012484
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C72 H60 Ag2 N2 O6 P4'
_chemical_formula_weight         1388.8
_space_group_IT_number           3
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2'
_symmetry_space_group_name_H-M   'P 1 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.904(5)
_cell_length_b                   23.169(7)
_cell_length_c                   9.262(3)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    178
_cell_measurement_theta_max      11.5
_cell_measurement_theta_min      10
_cell_volume                     3198.3(18)
_diffrn_measurement_device       'Siemens R3'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       1
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7422
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        +-1.5
_diffrn_standards_interval_count 197
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.77
_exptl_absorpt_correction_T_max  0.88
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   '\y scans'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.8
_refine_diff_density_min         -1.1
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.1
_refine_ls_hydrogen_treatment    'H atoms riding'
_refine_ls_number_parameters     390
_refine_ls_number_reflns         5363
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(F)+0.0002F²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.035
_reflns_number_observed          5363
_reflns_number_total             7365
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            ha1025.cif
_cod_data_source_block           ha1025_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0002F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+0.0002F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3198(2)
_cod_original_sg_symbol_Hall     'P 2 2ab'
_cod_original_sg_symbol_H-M      'P 21 21 2'
_cod_database_code               2001614
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1-x,1-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ag .61200(2) .534280(10) .51900(3) .2970(10)
P(1) .61043(8) .63755(4) .46307(11) .278(3)
P(2) .75275(8) .48349(4) .55272(11) .269(3)
C(11) .5151(3) .6664(2) .3620(5) .267(15)
C(12) .5226(3) .7000(2) .2398(5) .347(16)
C(13) .4465(4) .7226(2) .1752(6) .48(2)
C(14) .3630(3) .7124(2) .2339(7) .51(2)
C(15) .3547(3) .6785(3) .3534(6) .51(2)
C(16) .4303(3) .6555(2) .4168(5) .425(18)
C(21) .7084(3) .6562(2) .3546(5) .321(16)
C(22) .7211(3) .6244(2) .2286(5) .431(18)
C(23) .7975(4) .6327(3) .1439(7) .57(2)
C(24) .8625(4) .6719(3) .1901(7) .59(2)
C(25) .8514(3) .7024(2) .3164(7) .51(2)
C(26) .7744(3) .6949(2) .4004(6) .404(17)
C(31) .6137(3) .6862(2) .6171(4) .315(13)
C(32) .6033(3) .7453(2) .6032(5) .403(16)
C(33) .6055(4) .7809(2) .7228(6) .480(18)
C(34) .6175(4) .7575(3) .8568(6) .57(2)
C(35) .6267(4) .6995(3) .8732(5) .65(3)
C(36) .6255(4) .6627(2) .7530(5) .471(19)
C(41) .7504(3) .4171(2) .6603(5) .292(14)
C(42) .6752(3) .4062(2) .7419(5) .408(18)
C(43) .6701(4) .3578(2) .8285(6) .53(2)
C(44) .7400(4) .3202(2) .8356(6) .48(2)
C(45) .8155(4) .3308(2) .7560(6) .50(2)
C(46) .8210(4) .3788(2) .6677(6) .448(18)
C(51) .8087(3) .4631(2) .3862(4) .296(13)
C(52) .7547(3) .4545(2) .2632(5) .352(16)
C(53) .7931(4) .4380(3) .1367(6) .50(2)
C(54) .8838(4) .4289(2) .1240(5) .468(18)
C(55) .9377(4) .4376(2) .2440(5) .417(18)
C(56) .9011(3) .4545(2) .3734(5) .332(15)
C(61) .8352(3) .5287(2) .6452(4) .269(13)
C(62) .8601(3) .5189(2) .7873(5) .365(16)
C(63) .9168(3) .5573(2) .8570(6) .440(18)
C(64) .9470(3) .6054(2) .7905(6) .443(19)
C(65) .9218(3) .6155(2) .6477(6) .462(19)
C(66) .8671(3) .5773(2) .5773(5) .388(17)
N(1) .5000 .5000 .8129(7) .48(3)
N(2) .5000 .5000 .2291(7) .52(3)
O(1) .5644(2) .5253(2) .8813(3) .410(12)
O(2) .5000 .5000 .6739(4) .367(17)
O(3) .5664(2) .5218(2) .1575(3) .408(13)
O(4) .5000 .5000 .3638(4) .367(17)
H(12) .5807 .7073 .1991 ?
H(13) .4519 .7458 .0897 ?
H(14) .3105 .7289 .1902 ?
H(15) .2967 .6709 .3944 ?
H(16) .4250 .6310 .4998 ?
H(22) .6769 .5964 .2007 ?
H(23) .8054 .6115 .0557 ?
H(24) .9153 .6779 .1327 ?
H(25) .8973 .7286 .3474 ?
H(26) .7662 .7162 .4883 ?
H(32) .5950 .7616 .5088 ?
H(33) .5997 .8219 .7120 ?
H(34) .6174 .7818 .9407 ?
H(35) .6348 .6835 .9679 ?
H(36) .6331 .6218 .7642 ?
H(42) .6256 .4325 .7360 ?
H(43) .6173 .3510 .8854 ?
H(44) .7365 .2863 .8949 ?
H(45) .8656 .3050 .7636 ?
H(46) .8737 .3854 .6105 ?
H(52) .6910 .4600 .2694 ?
H(53) .7559 .4326 .0531 ?
H(54) .9095 .4166 .0340 ?
H(55) 1.0014 .4318 .2365 ?
H(56) .9390 .4603 .4560 ?
H(62) .8378 .4855 .8369 ?
H(63) .9352 .5469 .9545 ?
H(64) .9850 .6323 .8404 ?
H(65) .9429 .6495 .5988 ?
H(66) .8501 .5844 .4789 ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P(1) Ag P(2) . 120.60(10) yes
P(2) Ag O(2) . 111.90(10) yes
P(2) Ag O(4) . 122.10(10) yes
Ag P(1) C(11) . 118.30(10) yes
C(11) P(1) C(21) . 104.6(2) yes
C(11) P(1) C(31) . 101.3(2) yes
Ag P(2) C(41) . 117.4(2) yes
C(41) P(2) C(51) . 104.6(2) yes
C(41) P(2) C(61) . 103.8(2) yes
O(1) N(1) O(2) . 119.4(3) yes
O(3) N(2) O(4) . 120.8(3) yes
Ag O(2) N(1) . 127.80(10) yes
Ag O(4) N(2) . 127.90(10) yes
P(1) Ag O(2) . 117.00(10) yes
P(1) Ag O(4) . 101.20(10) yes
O(2) Ag O(4) . 75.70(10) yes
Ag P(1) C(21) . 109.9(2) yes
Ag P(1) C(31) . 116.00(10) yes
C(21) P(1) C(31) . 105.3(2) yes
Ag P(2) C(51) . 114.40(10) yes
Ag P(2) C(61) . 111.30(10) yes
C(51) P(2) C(61) . 103.8(2) yes
O(1) N(1) O(1) 2 121.2(5) yes
O(3) N(2) O(3) 2 118.3(6) yes
Ag O(2) Ag 2 104.4(2) yes
Ag O(4) Ag 2 104.3(2) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ag P(1) 2.4480(10) yes
Ag O(2) 2.340(3) yes
P(1) C(11) 1.828(5) yes
P(1) C(31) 1.818(4) yes
P(2) C(51) 1.816(4) yes
C(11) C(12) 1.377(6) yes
C(12) C(13) 1.385(7) yes
C(14) C(15) 1.363(8) yes
C(21) C(22) 1.393(7) yes
C(22) C(23) 1.396(8) yes
C(24) C(25) 1.376(9) yes
C(31) C(32) 1.385(6) yes
C(32) C(33) 1.381(7) yes
C(34) C(35) 1.360(9) yes
C(41) C(42) 1.374(7) yes
C(42) C(43) 1.382(8) yes
C(44) C(45) 1.366(8) yes
C(51) C(52) 1.409(6) yes
C(52) C(53) 1.358(7) yes
C(54) C(55) 1.386(7) yes
C(61) C(62) 1.386(6) yes
C(62) C(63) 1.386(7) yes
C(64) C(65) 1.395(8) yes
N(1) O(1) 1.290(4) yes
N(2) O(3) 1.295(5) yes
Ag P(2) 2.4250(10) yes
Ag O(4) 2.341(3) yes
P(1) C(21) 1.824(5) yes
P(2) C(41) 1.833(5) yes
P(2) C(61) 1.828(4) yes
C(11) C(16) 1.386(7) yes
C(13) C(14) 1.379(8) yes
C(15) C(16) 1.377(7) yes
C(21) C(26) 1.396(7) yes
C(23) C(24) 1.394(9) yes
C(25) C(26) 1.398(8) yes
C(31) C(36) 1.382(6) yes
C(33) C(34) 1.366(8) yes
C(35) C(36) 1.402(8) yes
C(41) C(46) 1.379(7) yes
C(43) C(44) 1.359(8) yes
C(45) C(46) 1.383(7) yes
C(51) C(56) 1.397(6) yes
C(53) C(54) 1.374(9) yes
C(55) C(56) 1.374(7) yes
C(61) C(66) 1.375(6) yes
C(63) C(64) 1.352(8) yes
C(65) C(66) 1.370(7) yes
N(1) P(2) 1.288(7) yes
N(2) O(4) 1.248(8) yes
