#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/13/2101324.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_2101324
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            'C32 H45 Ag N3 O7.5'
_chemical_formula_weight         699.6
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 98.830(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   34.5450(10)
_cell_length_b                   10.0350(10)
_cell_length_c                   38.188(2)
_cell_volume                     13081.3(16)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    5.48
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_F_000             5840
_cod_data_source_file            pa0297.cif
_cod_data_source_block           pa0297b
_cod_original_cell_volume        13081.30(10)
_cod_original_formula_sum        'C32 H45 Ag1 N3 O7.5'
_cod_database_code               2101324
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag(40) .63734(3) .05420(10) .09702(3)
C(1) .7077(4) -.058(2) .2017(3)
C(2) .6965(4) .068(2) .2149(4)
C(3) .7233(5) .182(2) .2205(4)
C(4) .7128(5) .298(2) .2345(5)
C(5) .6744(6) .311(2) .2424(4)
C(6) .6468(5) .212(2) .2364(4)
C(7) .6579(5) .087(2) .2211(4)
C(8) .6282(4) -.011(2) .2111(4)
C(9) .6424(4) -.139(2) .2040(4)
C(10) .6161(5) -.254(2) .1983(4)
C(11) .6297(6) -.378(2) .1940(5)
C(12) .6700(5) -.395(2) .1938(4)
C(13) .6975(5) -.294(2) .1978(4)
C(14) .6827(4) -.161(2) .2018(3)
C(15) .5856(5) .024(2) .2037(4)
C(16) .5746(4) .054(2) .1634(4)
C(17) .7442(4) -.063(2) .1837(4)
C(18) .7312(5) -.025(2) .1432(4)
C(19) .7098(5) -.140(2) .1240(4)
N(20) .6855(3) -.1040(10) .0898(3)
C(21) .6656(5) -.227(2) .0743(5)
C(22) .6304(5) -.275(2) .0933(4)
O(23) .5998(3) -.1800(10) .0904(3)
C(24) .5756(5) -.189(2) .0574(5)
C(25) .5496(5) -.067(2) .0536(4)
O(26) .5734(5) .0440(10) .0503(3)
C(27) .5556(5) .171(2) .0544(4)
C(28) .5536(5) .197(2) .0943(4)
C(29) .5888(5) .188(2) .1550(4)
N(30) .5925(3) .2090(10) .1167(3)
C(32) .6519(6) .354(2) .1258(5)
C(31) .6096(5) .345(2) .1132(4)
O(33) .6740(3) .2820(10) .1047(3)
C(34) .6791(6) .341(2) .0718(6)
C(35) .6980(5) .245(2) .0501(5)
O(36) .6709(3) .1320(10) .0415(3)
C(37) .6891(5) .015(2) .0317(4)
C(38) .7117(5) -.054(2) .0650(4)
Ag(50) .44701(4) .0969(2) .61872(3)
C(51) .3062(5) .270(2) .6008(5)
C(52) .3191(5) .404(2) .6103(4)
C(53) .3189(5) .505(3) .5843(5)
C(54) .3322(7) .628(3) .5954(6)
C(55) .3454(7) .659(3) .6325(7)
C(56) .3471(5) .569(2) .6560(5)
C(57) .3325(4) .432(2) .6470(4)
C(58) .3318(5) .333(2) .6730(4)
C(59) .3135(5) .214(2) .6641(5)
C(60) .3067(7) .122(3) .6913(7)
C(61) .2927(7) -.003(3) .6827(8)
C(62) .2797(7) -.035(3) .6496(8)
C(63) .2833(6) .044(3) .6190(7)
C(64) .2998(5) .177(2) .6269(6)
C(65) .3560(5) .345(2) .7094(5)
C(66) .3911(5) .243(2) .7140(4)
C(67) .3018(5) .229(3) .5619(5)
C(68) .3439(9) .232(4) .5491(7)
C(69) .3740(6) .188(3) .5719(8)
N(70) .4108(4) .138(2) .5612(4)
C(71) .4310(6) .241(2) .5423(5)
C(72) .4470(6) .356(2) .5656(6)
O(73) .4786(4) .294(2) .5905(4)
C(74) .4980(7) .388(3) .6150(6)
C(75) .5278(6) .321(2) .6402(5)
O(76) .5101(3) .2170(10) .6585(3)
C(77) .4949(5) .261(3) .6910(5)
C(78) .4724(6) .149(2) .7027(5)
C(79) .4063(5) .222(2) .6768(4)
N(80) .4374(4) .117(2) .6791(3)
C(81) .4217(6) -.014(2) .6905(5)
C(82) .4410(8) -.128(3) .6779(7)
O(83) .4292(4) -.137(2) .6390(4)
C(84) .4502(8) -.242(3) .6248(8)
C(85) .4417(6) -.231(2) .5859(6)
O(86) .4589(3) -.1050(10) .5771(3)
C(87) .4448(5) -.062(3) .5405(5)
C(88) .4061(5) .015(2) .5400(5)
N(95) .4398(8) .399(4) .2663(8)
O(96) .4510(10) .500(4) .2530(10)
O(97) .4130(10) .450(4) .2870(10)
O(98) .4704(8) .368(3) .2938(8)
N(295) .3636(8) .642(3) .5055(8)
O(296) .3330(8) .557(3) .4954(7)
O(297) .3911(7) .585(3) .5129(8)
O(298) .3564(8) .750(3) .5156(7)
O(300) .253(4) .595(5) .4640(10)
O(400) .4330(10) .486(3) .4690(10)
H(203) .584(3) -.240(10) .199(3)
H(204) .610(3) -.460(10) .191(3)
H(205) .681(3) -.500(10) .190(3)
H(206) .728(3) -.310(10) .197(3)
H(210) .752(3) .170(10) .215(3)
H(211) .733(3) .380(10) .236(3)
H(212) .665(3) .400(10) .256(3)
H(213) .618(3) .220(10) .242(3)
H(215) .581(3) .110(10) .219(3)
H(315) .568(3) -.060(10) .212(3)
H(216) .588(3) -.020(10) .148(3)
H(316) .544(3) .050(10) .156(3)
H(229) .570(3) .260(10) .162(3)
H(329) .618(3) .200(10) .170(3)
H(317) .766(3) .010(10) .195(3)
H(217) .756(3) -.160(10) .185(3)
H(318) .712(3) .060(10) .142(3)
H(218) .755(3) .000(10) .131(3)
H(319) .731(3) -.210(10) .119(3)
H(219) .691(3) -.180(10) .142(3)
H(321) .655(3) -.210(10) .047(3)
H(221) .687(3) -.300(10) .077(3)
H(322) .620(4) -.360(10) .082(3)
H(222) .641(3) -.290(10) .121(3)
H(324) .590(3) -.200(10) .036(3)
H(224) .557(3) -.280(10) .057(3)
H(325) .527(3) -.070(10) .030(3)
H(225) .536(3) -.060(10) .077(3)
H(327) .574(3) .250(10) .046(3)
H(227) .528(3) .180(10) .039(3)
H(228) .538(3) .290(10) .096(3)
H(328) .538(3) .110(10) .104(3)
H(331) .603(3) .370(10) .084(3)
H(231) .593(3) .410(10) .126(3)
H(332) .660(3) .450(10) .126(3)
H(232) .658(3) .320(10) .152(3)
H(334) .649(3) .360(10) .057(3)
H(234) .694(3) .430(10) .074(3)
H(335) .704(3) .290(10) .026(3)
H(235) .726(3) .210(10) .066(3)
H(337) .667(3) -.050(10) .020(3)
H(237) .709(3) .040(10) .015(3)
H(338) .729(3) -.130(10) .057(3)
H(238) .732(3) .020(10) .080(3)
H(253) .310(3) .480(10) .558(3)
H(254) .333(4) .700(10) .576(3)
H(255) .357(3) .750(10) .640(3)
H(256) .356(3) .590(10) .681(3)
H(260) .314(3) .150(10) .720(3)
H(261) .290(3) -.060(10) .704(3)
H(262) .267(3) -.130(10) .643(3)
H(263) .275(3) .010(10) .593(3)
H(265) .366(3) .40(10) .711(3)
H(365) .336(3) .330(10) .728(3)
H(266) .416(3) .280(10) .734(3)
H(366) .381(3) .150(10) .723(3)
H(279) .399(3) .270(10) .702(3)
H(379) .382(3) .230(10) .657(3)
H(267) .288(3) .140(10) .559(3)
H(367) .284(3) .310(10) .548(3)
H(268) .343(4) .160(10) .527(3)
H(368) .351(3) .330(10) .538(3)
H(269) .384(4) .280(10) .589(3)
H(369) .363(4) .120(10) .589(3)
H(371) .452(4) .200(10) .525(3)
H(271) .415(3) .320(10) .530(3)
H(372) .457(3) .440(10) .551(3)
H(272) .424(3) .390(10) .581(3)
H(374) .513(3) .460(10) .599(3)
H(274) .478(3) .440(10) .629(3)
H(375) .549(3) .280(10) .625(3)
H(275) .541(4) .390(10) .658(3)
H(377) .518(3) .290(10) .710(3)
H(277) .476(3) .350(10) .683(3)
H(378) .491(3) .060(10) .706(3)
H(278) .465(3) .170(10) .728(3)
H(381) .428(3) -.010(10) .718(3)
H(281) .391(4) -.010(10) .681(3)
H(382) .469(3) -.140(10) .685(3)
H(282) .423(4) -.220(10) .686(3)
H(384) .481(4) -.230(10) .634(3)
H(284) .441(4) -.330(10) .634(3)
H(385) .454(3) -.310(10) .573(3)
H(285) .410(3) -.230(10) .577(3)
H(388) .384(3) -.050(10) .547(3)
H(288) .398(3) .050(10) .513(3)
H(287) .439(3) -.150(10) .525(3)
H(387) .468(3) .000(10) .531(3)
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) 168.6(5)
N(20) Ag(40) O(23) 74.7(4)
N(20) Ag(40) O(26) 115.6(4)
N(20) Ag(40) O(33) 105.4(4)
N(20) Ag(40) O(36) 72.7(4)
N(30) Ag(40) O(23) 105.7(4)
N(30) Ag(40) O(26) 73.8(4)
N(30) Ag(40) O(33) 74.4(4)
N(30) Ag(40) O(36) 116.0(4)
O(23) Ag(40) O(26) 63.6(3)
O(23) Ag(40) O(33) 179.1(4)
O(23) Ag(40) O(36) 116.2(4)
O(26) Ag(40) O(33) 117.0(4)
O(26) Ag(40) O(36) 83.9(4)
O(33) Ag(40) O(36) 64.6(4)
N(70) Ag(50) N(80) 137.9(5)
N(70) Ag(50) O(73) 71.2(5)
N(70) Ag(50) O(76) 133.9(5)
N(70) Ag(50) O(83) 108.5(5)
N(70) Ag(50) O(86) 71.8(5)
N(80) Ag(50) O(73) 118.0(5)
N(80) Ag(50) O(76) 69.1(5)
N(80) Ag(50) O(83) 73.2(5)
N(80) Ag(50) O(86) 134.6(5)
O(73) Ag(50) O(76) 62.7(5)
O(73) Ag(50) O(83) 164.3(5)
O(73) Ag(50) O(86) 102.8(5)
O(76) Ag(50) O(83) 116.2(5)
O(76) Ag(50) O(86) 119.1(4)
O(83) Ag(50) O(86) 63.2(5)
O(96) N(95) O(97) 101(3)
O(96) N(95) O(98) 103(3)
O(97) N(95) O(98) 97(3)
O(296) N(295) O(297) 110(3)
O(296) N(295) O(298) 117(3)
O(297) N(295) O(298) 126(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ag(40) N(20) 2.350(10)
Ag(40) N(30) 2.400(10)
Ag(40) O(23) 2.680(10)
Ag(40) O(33) 2.610(10)
Ag(40) O(26) 2.620(10)
Ag(40) O(36) 2.680(10)
Ag(40) C(1) 4.49(2)
Ag(40) C(2) 4.65(2)
Ag(40) C(7) 4.69(2)
Ag(40) C(8) 4.46(2)
Ag(40) C(9) 4.50(2)
Ag(40) C(14) 4.600(10)
Ag(50) N(70) 2.39(2)
Ag(50) N(80) 2.39(2)
Ag(50) O(73) 2.57(2)
Ag(50) O(76) 2.740(10)
Ag(50) O(83) 2.58(2)
Ag(50) O(86) 2.650(10)
Ag(50) C(51) 5.11(2)
Ag(50) C(58) 5.32(2)
Ag(50) C(52) 5.36(2)
Ag(50) C(59) 5.30(2)
Ag(50) C(57) 5.42(2)
Ag(50) C(64) 5.20(2)
C(1) C(2) 1.44(2)
C(1) C(14) 1.349(19)
C(1) C(17) 1.53(2)
C(2) C(3) 1.46(2)
C(2) C(7) 1.40(2)
C(3) C(4) 1.35(3)
C(4) C(5) 1.41(3)
C(5) C(6) 1.37(2)
C(6) C(7) 1.46(2)
C(7) C(8) 1.43(2)
C(8) C(9) 1.41(2)
C(8) C(15) 1.50(2)
C(9) C(10) 1.47(2)
C(9) C(14) 1.426(19)
C(10) C(11) 1.34(3)
C(11) C(12) 1.40(3)
C(12) C(13) 1.38(3)
C(13) C(14) 1.45(2)
C(15) C(16) 1.55(2)
C(16) C(29) 1.49(2)
C(29) N(30) 1.50(2)
C(17) C(18) 1.59(2)
C(18) C(19) 1.50(2)
C(19) N(20) 1.49(2)
N(20) C(21) 1.49(2)
N(20) C(38) 1.49(2)
C(21) C(22) 1.58(2)
C(22) O(23) 1.42(2)
O(23) C(24) 1.41(2)
C(24) C(25) 1.51(2)
C(25) O(26) 1.408(19)
O(26) C(27) 1.43(2)
C(27) C(28) 1.56(2)
C(28) N(30) 1.48(2)
N(30) C(31) 1.50(2)
C(31) C(32) 1.47(2)
C(32) O(33) 1.40(2)
O(33) C(34) 1.42(2)
C(34) C(35) 1.48(3)
C(35) O(36) 1.47(2)
O(36) C(37) 1.409(19)
C(37) C(38) 1.55(2)
C(51) C(52) 1.44(3)
C(51) C(64) 1.41(3)
C(51) C(67) 1.53(3)
C(52) C(53) 1.42(3)
C(52) C(57) 1.43(2)
C(53) C(54) 1.36(3)
C(54) C(55) 1.45(3)
C(55) C(56) 1.27(3)
C(56) C(57) 1.49(3)
C(57) C(58) 1.40(2)
C(58) C(59) 1.38(2)
C(58) C(65) 1.51(2)
C(59) C(60) 1.44(3)
C(59) C(64) 1.47(3)
C(60) C(61) 1.36(4)
C(61) C(62) 1.32(4)
C(62) C(63) 1.43(4)
C(63) C(64) 1.46(3)
C(65) C(66) 1.58(3)
C(66) C(79) 1.61(3)
C(79) N(80) 1.50(2)
C(67) C(68) 1.60(4)
C(68) C(69) 1.33(4)
C(69) N(70) 1.48(3)
N(70) C(71) 1.49(2)
N(70) C(88) 1.47(2)
C(71) C(72) 1.51(3)
C(72) O(73) 1.47(2)
O(73) C(74) 1.42(3)
C(74) C(75) 1.46(3)
C(75) O(76) 1.44(2)
O(76) C(77) 1.48(2)
C(77) C(78) 1.48(3)
C(78) N(80) 1.43(2)
N(80) C(81) 1.51(2)
C(81) C(82) 1.44(3)
C(82) O(83) 1.48(3)
O(83) C(84) 1.44(3)
C(84) C(85) 1.47(3)
C(85) O(86) 1.46(2)
O(86) C(87) 1.47(2)
C(87) C(88) 1.55(3)
N(95) O(96) 1.22(5)
N(95) O(97) 1.38(5)
N(95) O(98) 1.41(5)
N(295) O(296) 1.37(4)
N(295) O(297) 1.10(4)
N(295) O(298) 1.17(4)
