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#$Date: 2021-05-03 14:41:16 +0200 (lun 03 de may de 2021) $
#$Revision: 264769 $
#$URL: svn://www.crystallography.net/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, H₃CH₂N--BF₃
;
_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_depositor_comments
;
 Added the _citation_author_ordinal data item to the CITATION_AUTHOR loop
 and updated the _citation_author_name data item value.

 Antanas Vaitkus,
 2021-05-03
;
_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 P1 2 e 0.172 0.25 -0.190
F2 P2 4 f -0.244 0.095 0.129
H1 H1 4 f 0.279 0.13 0.102
H2 H2 2 e -0.150 0.25 0.565
H3 H3 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 Gražulis
;
