#------------------------------------------------------------------------------ #$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $ #$Revision: 91933 $ #$URL: svn://www.crystallography.net/cod/cif/2/01/05/2010556.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_2010556 loop_ _publ_author_name 'Nakagawa, Hiroo' 'Kani, Yoshiyuki' 'Tsuchimoto, Masanobu' 'Ohba, Shigeru' 'Matsushima, Hideaki' 'Tokii, Tadashi' _publ_section_title ; Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 12 _journal_page_last 16 _journal_volume 56 _journal_year 2000 _chemical_formula_iupac '[Cu2 (C5 H11 O2 Si1)4 (C9 H7 N1)2]' _chemical_formula_moiety 'C38 H58 Cu2 N2 O8 Si4 ' _chemical_formula_sum 'C38 H58 Cu2 N2 O8 Si4' _chemical_formula_weight 910.32 _chemical_name_systematic ; tetrakis(\m-trimethylsilylacetato-O:O')di(quinoline-N)dicopper(II) ; _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 104.03(2) _cell_angle_beta 110.10(2) _cell_angle_gamma 76.99(2) _cell_formula_units_Z 1 _cell_length_a 11.298(2) _cell_length_b 11.495(3) _cell_length_c 10.261(3) _cell_measurement_reflns_used 25 _cell_measurement_temperature 298 _cell_measurement_theta_max 15 _cell_measurement_theta_min 10 _cell_volume 1199.3(5) _computing_cell_refinement ' MSC/AFC Diffractometer Control Software' _computing_data_collection ; MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1993) ; _computing_data_reduction 'TEXSAN (Molecular Structure Corporation, 1998)' _computing_publication_material TEXSAN _computing_structure_refinement TEXSAN _diffrn_ambient_temperature 298 _diffrn_measurement_device_type 'Rigaku AFC7R' _diffrn_measurement_method \q-2\q _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'Rigaku rotating anode' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength .71073 _diffrn_reflns_av_R_equivalents .040 _diffrn_reflns_av_sigmaI/netI .032 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 0 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 9728 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_reflns_theta_max 32.5 _diffrn_reflns_theta_min 2.5 _diffrn_standards_decay_% 2.2 _diffrn_standards_interval_count 150 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 1.032 _exptl_absorpt_correction_T_max .902 _exptl_absorpt_correction_T_min .659 _exptl_absorpt_correction_type integration _exptl_absorpt_process_details '(Coppens et al., 1965) numerical' _exptl_crystal_colour 'dark green' _exptl_crystal_density_diffrn 1.260 _exptl_crystal_density_method 'not measured' _exptl_crystal_description plate-like _exptl_crystal_F_000 478 _exptl_crystal_size_max .8 _exptl_crystal_size_mid .4 _exptl_crystal_size_min .1 _refine_diff_density_max .53 _refine_diff_density_min -.26 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.18 _refine_ls_hydrogen_treatment noref _refine_ls_matrix_type full _refine_ls_number_constraints 0 _refine_ls_number_parameters 244 _refine_ls_number_reflns 6191 _refine_ls_number_restraints 0 _refine_ls_R_factor_gt .048 _refine_ls_shift/su_max .004 _refine_ls_shift/su_mean .0002 _refine_ls_structure_factor_coef F _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00181|Fo|^2^]' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_ref .069 _reflns_number_gt 6024 _reflns_number_total 8692 _reflns_threshold_expression 'I > 1.5\s(I)' _[local]_cod_data_source_file oa1095.cif _[local]_cod_data_source_block IV _[local]_cod_cif_authors_sg_H-M 'P -1 ' _[local]_cod_chemical_formula_sum_orig 'C38 H58 Cu2 N2 O8 Si4 ' _cod_original_cell_volume 1199.4(5) _cod_database_code 2010556 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z loop_ _atom_site_label _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_type_symbol Cu1 .09339(2) .51565(3) .45752(3) .03655(7) Uani 1.00 Cu Si1 .27760(10) .12685(8) .68140(10) .0748(3) Uani 1.00 Si Si2 .13080(10) .75034(10) .98828(9) .0695(3) Uani 1.00 Si O1 .2044(2) .4123(2) .5940(2) .0529(5) Uani 1.00 O O2 .0466(2) .3836(2) .6612(2) .0554(5) Uani 1.00 O O3 .1126(2) .6567(2) .6133(2) .0561(6) Uani 1.00 O O4 -.0456(2) .6306(2) .6796(2) .0564(5) Uani 1.00 O N1 .2502(2) .5550(2) .3903(2) .0462(5) Uani 1.00 N C1 .1617(2) .3695(2) .6678(2) .0426(5) Uani 1.00 C C2 .2556(3) .2907(3) .7664(3) .0556(7) Uani 1.00 C C3 .1304(9) .0698(6) .6340(10) .238(5) Uani 1.00 C C4 .3970(10) .0418(7) .8090(10) .314(5) Uani 1.00 C C5 .3127(10) .1084(5) .5167(8) .179(3) Uani 1.00 C C6 .0417(2) .6865(2) .6912(3) .0451(6) Uani 1.00 C C7 .0633(3) .7939(3) .8083(3) .0630(8) Uani 1.00 C C8 .2585(7) .6221(5) .9873(5) .141(2) Uani 1.00 C C9 .0030(8) .7020(10) 1.0292(8) .273(5) Uani 1.00 C C10 .1905(8) .8831(6) 1.1173(6) .198(3) Uani 1.00 C C11 .2761(3) .6658(3) .4399(3) .0576(8) Uani 1.00 C C12 .3834(3) .7056(3) .4351(4) .0650(9) Uani 1.00 C C13 .4672(3) .6256(3) .3774(3) .0627(9) Uani 1.00 C C14 .4431(2) .5072(3) .3190(3) .0517(7) Uani 1.00 C C15 .5241(3) .4197(4) .2524(4) .0710(10) Uani 1.00 C C16 .4962(4) .3077(4) .1952(5) .0840(10) Uani 1.00 C C17 .3864(4) .2737(3) .2020(5) .0820(10) Uani 1.00 C C18 .3071(3) .3549(3) .2686(4) .0613(8) Uani 1.00 C C19 .3326(2) .4736(2) .3270(3) .0460(6) Uani 1.00 C H1 .2258 .2976 .8454 .0667 Uiso 1.00 H H2 .3365 .3188 .7989 .0667 Uiso 1.00 H H3 .1064 .0768 .7166 .2851 Uiso 1.00 H H4 .0648 .1160 .5692 .2851 Uiso 1.00 H H5 .1407 -.0139 .5889 .2851 Uiso 1.00 H H6 .3711 .0525 .8911 .3772 Uiso 1.00 H H7 .4080 -.0427 .7678 .3772 Uiso 1.00 H H8 .4775 .0711 .8357 .3772 Uiso 1.00 H H9 .3213 .0240 .4744 .2143 Uiso 1.00 H H10 .2444 .1534 .4535 .2143 Uiso 1.00 H H11 .3909 .1381 .5352 .2143 Uiso 1.00 H H12 -.0167 .8465 .8029 .0756 Uiso 1.00 H H13 .1220 .8363 .7963 .0756 Uiso 1.00 H H14 .2261 .5552 .9172 .1696 Uiso 1.00 H H15 .3257 .6446 .9659 .1696 Uiso 1.00 H H16 .2913 .5988 1.0784 .1696 Uiso 1.00 H H17 -.0658 .7687 1.0299 .3278 Uiso 1.00 H H18 -.0277 .6349 .9588 .3278 Uiso 1.00 H H19 .0367 .6787 1.1202 .3278 Uiso 1.00 H H20 .2248 .8629 1.2100 .2380 Uiso 1.00 H H21 .2560 .9057 1.0932 .2380 Uiso 1.00 H H22 .1216 .9497 1.1159 .2380 Uiso 1.00 H H23 .2181 .7237 .4824 .0692 Uiso 1.00 H H24 .3967 .7883 .4722 .0780 Uiso 1.00 H H25 .5428 .6500 .3766 .0753 Uiso 1.00 H H26 .5999 .4410 .2481 .0850 Uiso 1.00 H H27 .5516 .2498 .1490 .1008 Uiso 1.00 H H28 .3672 .1933 .1599 .0985 Uiso 1.00 H H29 .2338 .3305 .2753 .0736 Uiso 1.00 H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cu1 .03160(10) .0420(2) .03840(10) -.00332(9) .01314(10) .00920(10) Si1 .0872(7) .0467(5) .0874(7) .0051(4) .0227(5) .0244(4) Si2 .0777(6) .0803(6) .0411(4) -.0118(5) .0188(4) -.0073(4) O1 .0382(8) .0610(10) .0640(10) .0004(7) .0141(8) .0284(9) O2 .0421(8) .0720(10) .0600(10) .0034(8) .0173(8) .0333(10) O3 .0650(10) .0540(10) .0590(10) -.0202(9) .0312(9) -.0010(9) O4 .0519(10) .0620(10) .0570(10) -.0136(8) .0262(9) -.0053(9) N1 .0392(9) .0510(10) .0540(10) -.0035(8) .0203(8) .0140(9) C1 .0420(10) .0400(10) .0420(10) -.0006(8) .0098(9) .0084(9) C2 .0510(10) .060(2) .0500(10) .0040(10) .0080(10) .0230(10) C3 .220(9) .102(5) .42(2) -.090(5) .155(10) -.048(7) C4 .43(2) .133(6) .214(9) .158(8) -.010(10) .063(6) C5 .320(10) .081(3) .158(6) -.022(5) .140(7) -.024(4) C6 .0500(10) .0410(10) .0400(10) -.0038(9) .0113(9) .0069(9) C7 .083(2) .0470(10) .0520(10) -.0130(10) .0180(10) -.0050(10) C8 .191(6) .129(4) .071(3) .059(4) .042(3) .031(3) C9 .142(6) .63(2) .117(5) -.104(9) .029(4) .168(9) C10 .290(10) .108(4) .086(4) -.023(5) -.043(5) -.028(3) C11 .0580(10) .0540(10) .072(2) -.0080(10) .0310(10) .0140(10) C12 .067(2) .059(2) .083(2) -.0210(10) .029(2) .016(2) C13 .0490(10) .083(2) .071(2) -.0180(10) .0210(10) .026(2) C14 .0390(10) .070(2) .0520(10) -.0030(10) .0156(10) .0230(10) C15 .0520(10) .090(2) .083(2) .0010(10) .038(2) .022(2) C16 .065(2) .089(3) .102(3) .005(2) .049(2) .004(2) C17 .077(2) .066(2) .108(3) -.004(2) .050(2) -.004(2) C18 .0480(10) .064(2) .074(2) -.0080(10) .0270(10) .0040(10) C19 .0380(10) .0570(10) .0440(10) -.0018(9) .0126(9) .0150(10) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Cu1 Cu1 1_555 2_566 2.6650(10) yes Cu1 O1 1_555 1_555 1.969(2) yes Cu1 O2 1_555 2_566 1.965(2) yes Cu1 O3 1_555 1_555 1.973(2) yes Cu1 O4 1_555 2_566 1.959(2) yes Cu1 N1 1_555 1_555 2.274(2) yes Si1 C2 1_555 1_555 1.874(3) no Si1 C3 1_555 1_555 1.792(8) no Si1 C4 1_555 1_555 1.820(7) no Si1 C5 1_555 1_555 1.818(7) no Si2 C7 1_555 1_555 1.885(3) no Si2 C8 1_555 1_555 1.816(5) no Si2 C9 1_555 1_555 1.858(7) no Si2 C10 1_555 1_555 1.846(5) no O1 C1 1_555 1_555 1.259(3) yes O2 C1 1_555 1_555 1.254(3) yes O3 C6 1_555 1_555 1.258(3) yes O4 C6 1_555 1_555 1.251(3) yes N1 C11 1_555 1_555 1.311(4) no N1 C19 1_555 1_555 1.376(3) no C1 C2 1_555 1_555 1.498(3) no C2 H1 1_555 1_555 .960 no C2 H2 1_555 1_555 .960 no C3 H3 1_555 1_555 .960 no C3 H4 1_555 1_555 .961 no C3 H5 1_555 1_555 .960 no C4 H6 1_555 1_555 .958 no C4 H7 1_555 1_555 .959 no C4 H8 1_555 1_555 .964 no C5 H9 1_555 1_555 .960 no C5 H10 1_555 1_555 .960 no C5 H11 1_555 1_555 .960 no C6 C7 1_555 1_555 1.497(4) no C7 H12 1_555 1_555 .960 no C7 H13 1_555 1_555 .960 no C8 H14 1_555 1_555 .960 no C8 H15 1_555 1_555 .960 no C8 H16 1_555 1_555 .960 no C9 H17 1_555 1_555 .960 no C9 H18 1_555 1_555 .959 no C9 H19 1_555 1_555 .960 no C10 H20 1_555 1_555 .960 no C10 H21 1_555 1_555 .960 no C10 H22 1_555 1_555 .960 no C11 C12 1_555 1_555 1.408(4) no C11 H23 1_555 1_555 .960 no C12 C13 1_555 1_555 1.349(4) no C12 H24 1_555 1_555 .960 no C13 C14 1_555 1_555 1.395(4) no C13 H25 1_555 1_555 .960 no C14 C15 1_555 1_555 1.414(4) no C14 C19 1_555 1_555 1.420(3) no C15 C16 1_555 1_555 1.339(6) no C15 H26 1_555 1_555 .960 no C16 C17 1_555 1_555 1.410(5) no C16 H27 1_555 1_555 .960 no C17 C18 1_555 1_555 1.370(4) no C17 H28 1_555 1_555 .960 no C18 C19 1_555 1_555 1.402(4) no C18 H29 1_555 1_555 .960 no loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C .003 .002 ;International Tables for Crystallography (1992, Vol. C) ; Cu Cu .320 1.265 ;International Tables for Crystallography (1992, Vol. C) ; H H .000 .000 ;International Tables for Crystallography (1992, Vol. C) ; N N .006 .003 ;International Tables for Crystallography (1992, Vol. C) ; O O .011 .006 ;International Tables for Crystallography (1992, Vol. C) ; Si Si .082 .070 ;International Tables for Crystallography (1992, Vol. C) ; loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l -1 2 -2 0 2 -1 -1 1 -1 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag Cu1 Cu1 O1 2_566 1_555 1_555 84.80(10) no Cu1 Cu1 O2 2_566 1_555 2_566 82.60(10) no Cu1 Cu1 O3 2_566 1_555 1_555 85.10(10) no Cu1 Cu1 O4 2_566 1_555 2_566 81.90(10) no Cu1 Cu1 N1 2_566 1_555 1_555 176.40(10) no O1 Cu1 O2 1_555 1_555 2_566 167.30(10) yes O1 Cu1 O3 1_555 1_555 1_555 88.50(10) no O1 Cu1 O4 1_555 1_555 2_566 89.20(10) no O1 Cu1 N1 1_555 1_555 1_555 96.90(10) no O2 Cu1 O3 2_566 1_555 1_555 89.20(10) no O2 Cu1 O4 2_566 1_555 2_566 90.20(10) no O2 Cu1 N1 2_566 1_555 1_555 95.70(10) no O3 Cu1 O4 1_555 1_555 2_566 166.90(10) yes O3 Cu1 N1 1_555 1_555 1_555 91.80(10) no O4 Cu1 N1 2_566 1_555 1_555 101.30(10) no C2 Si1 C3 1_555 1_555 1_555 109.1(3) no C2 Si1 C4 1_555 1_555 1_555 108.6(3) no C2 Si1 C5 1_555 1_555 1_555 111.3(2) no C3 Si1 C4 1_555 1_555 1_555 108.2(5) no C3 Si1 C5 1_555 1_555 1_555 105.3(5) no C4 Si1 C5 1_555 1_555 1_555 114.0(5) no C7 Si2 C8 1_555 1_555 1_555 109.6(2) no C7 Si2 C9 1_555 1_555 1_555 108.7(2) no C7 Si2 C10 1_555 1_555 1_555 108.2(3) no C8 Si2 C9 1_555 1_555 1_555 107.9(5) no C8 Si2 C10 1_555 1_555 1_555 110.9(3) no C9 Si2 C10 1_555 1_555 1_555 111.5(5) no Cu1 O1 C1 1_555 1_555 1_555 122.20(10) no Cu1 O2 C1 2_566 1_555 1_555 125.1(2) no Cu1 O3 C6 1_555 1_555 1_555 122.0(2) no Cu1 O4 C6 2_566 1_555 1_555 126.7(2) no Cu1 N1 C11 1_555 1_555 1_555 113.7(2) no Cu1 N1 C19 1_555 1_555 1_555 128.0(2) no C11 N1 C19 1_555 1_555 1_555 117.2(2) no O1 C1 O2 1_555 1_555 1_555 125.3(2) yes O1 C1 C2 1_555 1_555 1_555 117.1(2) no O2 C1 C2 1_555 1_555 1_555 117.6(2) no Si1 C2 C1 1_555 1_555 1_555 112.8(2) no Si1 C2 H1 1_555 1_555 1_555 108.6(2) no Si1 C2 H2 1_555 1_555 1_555 108.6(2) no C1 C2 H1 1_555 1_555 1_555 108.6(2) no C1 C2 H2 1_555 1_555 1_555 108.6(2) no H1 C2 H2 1_555 1_555 1_555 109.5(3) no Si1 C3 H3 1_555 1_555 1_555 109.5(8) no Si1 C3 H4 1_555 1_555 1_555 109.4(6) no Si1 C3 H5 1_555 1_555 1_555 109.5(7) no H3 C3 H4 1_555 1_555 1_555 109.4(9) no H3 C3 H5 1_555 1_555 1_555 109.5(9) no H4 C3 H5 1_555 1_555 1_555 109.0(10) no Si1 C4 H6 1_555 1_555 1_555 109.6(7) no Si1 C4 H7 1_555 1_555 1_555 109.6(8) no Si1 C4 H8 1_555 1_555 1_555 109.3(7) no H6 C4 H7 1_555 1_555 1_555 109.0(10) no H6 C4 H8 1_555 1_555 1_555 109.0(10) no H7 C4 H8 1_555 1_555 1_555 109.2(10) no Si1 C5 H9 1_555 1_555 1_555 109.5(6) no Si1 C5 H10 1_555 1_555 1_555 109.5(6) no Si1 C5 H11 1_555 1_555 1_555 109.5(6) no H9 C5 H10 1_555 1_555 1_555 109.5(8) no H9 C5 H11 1_555 1_555 1_555 109.4(8) no H10 C5 H11 1_555 1_555 1_555 109.5(7) no O3 C6 O4 1_555 1_555 1_555 124.3(2) yes O3 C6 C7 1_555 1_555 1_555 118.8(2) no O4 C6 C7 1_555 1_555 1_555 116.9(2) no Si2 C7 C6 1_555 1_555 1_555 112.8(2) no Si2 C7 H12 1_555 1_555 1_555 108.6(2) no Si2 C7 H13 1_555 1_555 1_555 108.6(2) no C6 C7 H12 1_555 1_555 1_555 108.6(3) no C6 C7 H13 1_555 1_555 1_555 108.6(3) no H12 C7 H13 1_555 1_555 1_555 109.5(3) no Si2 C8 H14 1_555 1_555 1_555 109.5(5) no Si2 C8 H15 1_555 1_555 1_555 109.5(5) no Si2 C8 H16 1_555 1_555 1_555 109.5(4) no H14 C8 H15 1_555 1_555 1_555 109.5(5) no H14 C8 H16 1_555 1_555 1_555 109.5(6) no H15 C8 H16 1_555 1_555 1_555 109.5(7) no Si2 C9 H17 1_555 1_555 1_555 109.4(9) no Si2 C9 H18 1_555 1_555 1_555 109.5(6) no Si2 C9 H19 1_555 1_555 1_555 109.4(6) no H17 C9 H18 1_555 1_555 1_555 109.5(7) no H17 C9 H19 1_555 1_555 1_555 109.4(9) no H18 C9 H19 1_555 1_555 1_555 109.0(10) no Si2 C10 H20 1_555 1_555 1_555 109.5(5) no Si2 C10 H21 1_555 1_555 1_555 109.5(5) no Si2 C10 H22 1_555 1_555 1_555 109.4(5) no H20 C10 H21 1_555 1_555 1_555 109.5(7) no H20 C10 H22 1_555 1_555 1_555 109.4(8) no H21 C10 H22 1_555 1_555 1_555 109.5(7) no N1 C11 C12 1_555 1_555 1_555 124.4(3) no N1 C11 H23 1_555 1_555 1_555 117.8(3) no C12 C11 H23 1_555 1_555 1_555 117.8(3) no C11 C12 C13 1_555 1_555 1_555 119.0(3) no C11 C12 H24 1_555 1_555 1_555 120.5(3) no C13 C12 H24 1_555 1_555 1_555 120.5(3) no C12 C13 C14 1_555 1_555 1_555 119.4(3) no C12 C13 H25 1_555 1_555 1_555 120.3(3) no C14 C13 H25 1_555 1_555 1_555 120.3(3) no C13 C14 C15 1_555 1_555 1_555 122.7(3) no C13 C14 C19 1_555 1_555 1_555 118.5(2) no C15 C14 C19 1_555 1_555 1_555 118.9(3) no C14 C15 C16 1_555 1_555 1_555 120.8(3) no C14 C15 H26 1_555 1_555 1_555 119.6(4) no C16 C15 H26 1_555 1_555 1_555 119.6(3) no C15 C16 C17 1_555 1_555 1_555 120.7(3) no C15 C16 H27 1_555 1_555 1_555 119.7(4) no C17 C16 H27 1_555 1_555 1_555 119.7(4) no C16 C17 C18 1_555 1_555 1_555 120.3(3) no C16 C17 H28 1_555 1_555 1_555 119.8(3) no C18 C17 H28 1_555 1_555 1_555 119.8(4) no C17 C18 C19 1_555 1_555 1_555 120.2(3) no C17 C18 H29 1_555 1_555 1_555 119.9(3) no C19 C18 H29 1_555 1_555 1_555 119.9(3) no N1 C19 C14 1_555 1_555 1_555 121.5(2) no N1 C19 C18 1_555 1_555 1_555 119.4(2) no C14 C19 C18 1_555 1_555 1_555 119.1(2) no _journal_paper_doi 10.1107/S0108270199012147