#------------------------------------------------------------------------------ #$Date: 2025-01-15 13:28:58 +0200 (Wed, 15 Jan 2025) $ #$Revision: 297325 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/90/00/5900006.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_5900006 loop_ _publ_author_name 'Geller, S.' 'Hoard, J. L.' _publ_section_title ; Structures of molecular addition compounds. I. Monomethyl amine--boron trifluoride, H~3~CH~2~N--BF~3~ ; _journal_issue 2 _journal_name_full 'Acta Crystallographica' _journal_page_first 121 _journal_page_last 129 _journal_paper_doi 10.1107/S0365110X50000276 _journal_volume 3 _journal_year 1950 _chemical_formula_sum 'C H5 B F3 N' _chemical_name_systematic 'Methylamine boron triflouride' _symmetry_Int_Tables_number 11 _symmetry_space_group_name_H-M 'P 1 21/m 1' _cell_angle_alpha 90 _cell_angle_beta 101.52 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.06 _cell_length_b 7.28 _cell_length_c 5.81 _cod_data_source_file 007_methylamine_boron_triflouride.cif _cod_data_source_block methylamine_boron_triflouride _cod_original_sg_symbol_H-M 'P 21/m' _cod_original_formula_sum 'C H5 N B F3' _cod_database_code 5900006 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z N N 2 e -0.180 0.25 0.152 C C 2 e -0.252 0.25 0.415 B B 2 e 0.134 0.25 0.050 F1 F 2 e 0.172 0.25 -0.190 F2 F 4 f -0.244 0.095 0.129 H1 H 4 f 0.279 0.13 0.102 H2 H 2 e -0.150 0.25 0.565 H3 H 4 f 0.374 0.130 0.487 loop_ _citation_author_citation_id _citation_author_ordinal _citation_author_name 1 1 'Kitajgorodskij, A. I.' loop_ _citation_id _citation_coordinate_linkage _citation_title _citation_book_title _citation_country _citation_page_first _citation_page_last _citation_year _citation_book_publisher _cod_citation_special_details 1 yes ? 'Organicheskaja Kristallokhimija' USSR ? ? 1955 'Izdatel'stvo Akademii Nauk SSSR' ; Coordinates are presented as published in this book, Kitajgorodskij's "Organicheskaja Kristallokhimija", keyed in manually. Saulius Gra\