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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/13/2101323.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_2101323
loop_
_publ_author_name
'Andrianatoandro, H.'
'Barrans, Y.'
'Marsau, P.'
'Desvergne, J.-P.'
'Fages, F.'
'Bouas-Laurent, H.'
_publ_section_title
;
 Two 9,10-anthracenocryptand silver(I) nitrate complexes. Fluorescence
 modulated by Ag⁺ as a function of the geometry of the complex
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              293
_journal_page_last               300
_journal_paper_doi               10.1107/S0108768194011572
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C30 H42 Ag N3 O8'
_chemical_formula_weight         679.8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 110.200(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.4790(10)
_cell_length_b                   15.7510(10)
_cell_length_c                   19.1770(10)
_cell_volume                     2970.6(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    5.95
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_F_000             1416
_cod_data_source_file            pa0297.cif
_cod_data_source_block           pa0297a
_cod_original_cell_volume        2968.88(5)
_cod_original_formula_sum        'C30 H42 Ag1 N3 O8'
_cod_database_code               2101323
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag(40) -.02834(2) .16746(2) .08705(2)
C(1) -.0107(5) .3456(3) .1657(2)
C(2) .1183(5) .3146(3) .2092(2)
C(3) .2423(5) .3564(3) .2128(2)
C(4) .3655(5) .3252(4) .2552(3)
C(5) .3751(5) .2490(4) .2946(3)
C(6) .2612(5) .2071(3) .2942(2)
C(7) .1287(4) .2384(3) .2534(2)
C(8) .0093(5) .1979(3) .2551(2)
C(9) -.1152(5) .2383(3) .2234(2)
C(10) -.2370(5) .2097(3) .2349(2)
C(11) -.3564(5) .2496(4) .2037(3)
C(12) -.3690(5) .3211(4) .1579(3)
C(13) -.2584(5) .3512(3) .1443(3)
C(14) -.1275(5) .3122(3) .1767(2)
C(15) .0212(5) .1095(3) .2871(2)
C(16) .0579(5) .0446(3) .2372(2)
C(17) -.0264(5) .4102(3) .1055(2)
C(18) -.0928(5) .3698(3) .0277(2)
N(20) -.0185(4) .2973(2) .0115(2)
C(21) .1165(5) .3278(4) .0135(3)
C(22) .1980(6) .2683(4) -.0168(3)
O(23) .2103(3) .1835(2) .0114(2)
C(24) .2983(5) .1773(4) .0865(3)
C(25) .3002(5) .0878(4) .1101(3)
O(26) .1642(4) .0663(2) .1033(2)
C(27) .1496(6) -.0188(3) .1237(3)
C(28) .0056(6) -.0300(3) .1214(3)
N(30) -.0411(4) .0375(2) .1602(4)
C(31) -.1743(5) .0127(3) .1645(3)
C(32) -.2807(6) -.0180(3) .0933(3)
O(33) -.3040(4) .0384(2) .0322(2)
C(34) -.3747(6) .1131(4) .0374(3)
C(35) -.3811(5) .1693(4) -.0261(3)
O(36) -.2449(3) .1892(2) -.0207(2)
C(37) -.2398(6) .2446(3) -.0780(3)
C(38) -.0946(6) .2653(3) -.0646(2)
O(45) .3301(5) .0462(3) .4451(3)
N(41a) -.4104(13) .0406(5) .3487(5)
N(41b) -.3715(15) .0229(6) .3826(4)
O(42a) -.3210(9) .0567(5) .3411(4)
O(42b) -.3203(17) .0531(11) .3313(9)
O(43) -.4461(9) .0695(5) .4021(5)
O(44a) -.504(3) .0291(17) .3048(14)
O(44b) -.351(2) -.0327(12) .4107(16)
H(103) .231(4) .417(3) .186(2)
H(104) .434(4) .355(3) .255(2)
H(105) .465(4) .223(3) .323(2)
H(106) .268(4) .152(3) .3293(19)
H(110) -.240(4) .153(3) .263(2)
H(111) -.425(4) .230(3) .214(2)
H(112) -.456(4) .355(3) .137(2)
H(113) -.272(4) .413(3) .108(2)
H(117) -.087(4) .456(3) .109(2)
H(217) .064(4) .439(2) .1095(9)
H(118) -.185(4) .359(3) .022(2)
H(218) -.096(4) .421(3) -.013(2)
H(121) .116(4) .399(3) -.011(2)
H(221) .170(4) .344(2) .064(2)
H(122) .159(4) .263(3) -.068(2)
H(222) .302(4) .303(3) -.009(2)
H(124) .385(4) .197(3) .089(2)
H(224) .255(4) .214(3) .115(2)
H(125) .322(4) .051(3) .077(2)
H(225) .359(4) .076(3) .164(2)
H(127) .150(4) -.052(3) .087(2)
H(227) .230(4) -.022(3) .179(2)
H(128) -.055(4) -.024(3) .071(2)
H(228) .006(4) -.085(3) .147(2)
H(116) .067(4) -.008(3) .262(2)
H(216) .150(4) .058(3) .235(2)
H(115) -.068(4) .088(2) .2942(19)
H(215) .097(4) .100(3) .334(2)
H(138) -.077(4) .315(3) -.097(2)
H(238) -.035(4) .207(3) -.069(2)
H(137) -.308(4) .297(3) -.081(2)
H(237) -0.274(4) .210(3) -.125(2)
H(135) -.436(4) .232(3) -.026(2)
H(235) -.421(4) .144(3) -.067(2)
H(134) -.323(4) .144(3) .081(2)
H(234) -.467(4) .102(3) .037(2)
H(132) -.360(4) -.030(3) .101(2)
H(232) -.239(4) -.070(3) .076(2)
H(131) -.203(4) .060(3) .184(2)
H(231) -.146(4) -.029(3) .206(2)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
N(20) Ag(40) N(30) 179.00(10)
N(20) Ag(40) O(23) 60.00(10)
N(20) Ag(40) O(26) 113.30(10)
N(20) Ag(40) O(33) 120.40(10)
N(20) Ag(40) O(36) 67.80(10)
N(30) Ag(40) O(23) 120.10(10)
N(30) Ag(40) O(26) 66.90(10)
N(30) Ag(40) O(33) 58.70(10)
N(30) Ag(40) O(36) 111.40(10)
O(23) Ag(40) O(26) 53.40(10)
O(23) Ag(40) O(33) 127.00(10)
O(23) Ag(40) O(36) 103.50(10)
O(26) Ag(40) O(33) 102.70(10)
O(26) Ag(40) O(36) 130.40(10)
O(33) Ag(40) O(36) 52.80(10)
O(42a) N(41a) O(43) 124.0(10)
O(42a) N(41a) O(44a) 125.0(10)
O(43) N(41a) O(44a) 104.0(10)
O(42b) N(41b) O(43) 117.0(10)
O(42b) N(41b) O(44b) 128(2)
O(43) N(41b) O(44b) 113.0(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ag(40) N(20) 2.526(4)
Ag(40) N(30) 2.510(4)
Ag(40) O(23) 3.304(4)
Ag(40) O(26) 2.502(4)
Ag(40) O(33) 3.387(4)
Ag(40) O(36) 2.510(3)
Ag(40) C(1) 3.162(5)
Ag(40) C(2) 3.277(5)
Ag(40) C(7) 3.241(5)
Ag(40) C(8) 3.146(5)
Ag(40) C(9) 3.249(5)
Ag(40) C(14) 3.235(5)
C(1) C(2) 1.407(5)
C(1) C(14) 1.413(5)
C(1) C(17) 1.505(6)
C(2) C(3) 1.437(6)
C(2) C(7) 1.451(6)
C(3) C(4) 1.358(6)
C(4) C(5) 1.403(6)
C(5) C(6) 1.362(6)
C(6) C(7) 1.425(6)
C(7) C(8) 1.414(6)
C(8) C(9) 1.389(6)
C(8) C(15) 1.510(6)
C(9) C(10) 1.440(6)
C(9) C(14) 1.447(6)
C(10) C(11) 1.341(6)
C(11) C(12) 1.406(7)
C(12) C(13) 1.358(6)
C(13) C(14) 1.433(6)
C(15) C(16) 1.537(6)
C(16) N(30) 1.488(6)
C(17) C(18) 1.549(6)
C(18) N(20) 1.474(6)
N(20) C(21) 1.481(6)
N(20) C(38) 1.490(6)
C(21) C(22) 1.513(7)
C(22) O(23) 1.429(6)
O(23) C(24) 1.420(6)
C(24) C(25) 1.478(7)
C(25) O(26) 1.426(6)
O(26) C(27) 1.420(6)
C(27) C(28) 1.503(7)
C(28) N(30) 1.474(6)
N(30) C(31) 1.478(6)
C(31) C(32) 1.512(7)
C(32) O(33) 1.423(6)
O(33) C(34) 1.412(6)
C(34) C(35) 1.489(7)
C(35) O(36) 1.428(6)
O(36) C(37) 1.418(5)
C(37) C(38) 1.489(7)
N(41a) O(42a) 1.027(15)
N(41a) O(43) 1.289(13)
N(41a) O(44a) 1.065(19)
N(41b) O(42b) 1.359(15)
N(41b) O(43) 1.220(11)
N(41b) O(44b) 1.012(11)
