#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/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)