LMucko/crystallography-open-database huggingface dataset:
An experimental electron density study on ``1-zirconacyclopent-3-yne
Daisuke Hashizume; Teiji Chihara; Noriyuki Suzuki; Chemical Communications  (2006) –; doi:10.1039/b516229g

data_7100818
_publ_section_title
;
An experimental electron density study on
``1-zirconacyclopent-3-yne
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516229g
_journal_year                    2006
_chemical_formula_analytical     'C22 H30 Zr'
_chemical_formula_iupac          'C22 H30 Zr'
_chemical_formula_moiety         'C22 H30 Zr'
_chemical_formula_structural     'C22 H30 Zr'
_chemical_formula_sum            'C22 H30 Zr'
_chemical_formula_weight         385.68
_chemical_name_common
;
Bis(eta$5!-t-butylcyclopentadienyl)(eta$2!-but-2-yne-1,4-
diyl)zirconium
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.8516(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.6682(4)
_cell_length_b                   8.81600(10)
_cell_length_c                   8.15340(10)
_cell_measurement_temperature    106
_cell_volume                     1916.71(4)
_diffrn_ambient_temperature      106
_exptl_crystal_density_diffrn    1.337
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100818
Lewis and Bronsted Multifunctionality: An Unusual Heterocycle from the Reaction of Bis(pentafluorophenyl)borinic Acid with Nitriles
George Britovsek; Patricia Hunt; Juri Ugolotti; Andrew J. P. White; Chemical Communications  (2006) –; doi:10.1039/b516262a

data_7100819
_publ_section_title
;
Lewis and Bronsted Multifunctionality:
An Unusual Heterocycle from the Reaction of Bis(pentafluorophenyl)borinic
Acid with Nitriles
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516262a
_journal_year                    2006
_chemical_formula_sum            'C26 H5 B2 F20 N O2'
_chemical_formula_weight         764.93
_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                97.147(4)
_cell_angle_beta                 96.075(4)
_cell_angle_gamma                104.631(5)
_cell_formula_units_Z            4
_cell_length_a                   10.7737(6)
_cell_length_b                   14.0513(7)
_cell_length_c                   18.8781(10)
_cell_measurement_temperature    173(2)
_cell_volume                     2715.5(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.871
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7100819
A chiral, 16-ring channel framework and a layered caesium zincoarsenate
S.B. Wiggin; M.T. Weller; Chemical Communications  (2006) –; doi:10.1039/b516293a

data_7100820
_publ_section_title
;
A chiral, 16-ring channel framework and a layered
caesium zincoarsenate
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516293a
_journal_year                    2006
_chemical_formula_moiety         'As3 H O12 Zn3, H2 O, 2(Cs)'
_chemical_formula_sum            'As3 Cs2 H3 O13 Zn3'
_chemical_formula_weight         897.71
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.240(13)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.768(2)
_cell_length_b                   5.2056(12)
_cell_length_c                   13.747(3)
_cell_measurement_temperature    120(2)
_cell_volume                     723.0(3)
_exptl_crystal_density_diffrn    4.124
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7100820
; Chemical Communications  (2006) –; doi:10.1039/b516293a

data_7100821
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516293a
_journal_year                    2006
_chemical_formula_moiety         'As3 H4 O13 Zn3, 2(H2 O), Cs'
_chemical_formula_sum            'As3 Cs H8 O15 Zn3'
_chemical_formula_weight         801.84
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.263(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.1047(9)
_cell_length_b                   6.5829(4)
_cell_length_c                   12.9291(7)
_cell_measurement_temperature    120(2)
_cell_volume                     1352.81(13)
_exptl_crystal_density_diffrn    3.937
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100821
Structures and Phase Transition of Multi-Layered Water Nanotube Confined to Nanochannels
Makoto Tadokoro; Syoko Fukui; Shun'Ichi Ishimaru; Kiyoshi Isobe; Hiroshi Kitagawa; Tadamori Kitajima; Y. Nagao; Kazuhiro Nakasuji; Chemical Communications  (2006) –; doi:10.1039/b516807d

data_7100822
_publ_section_title
;
Structures and Phase Transition of Multi-Layered Water
Nanotube Confined to Nanochannels
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516807d
_journal_year                    2006
_chemical_formula_sum            'C81 H183 Co3 N36 O78'
_chemical_formula_weight         3086.42
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 92.939(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.7257(19)
_cell_length_b                   29.142(3)
_cell_length_c                   32.264(3)
_cell_measurement_temperature    293(2)
_cell_volume                     15705(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.305
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7100822
; Chemical Communications  (2006) –; doi:10.1039/b516807d

data_7100823
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516807d
_journal_year                    2006
_chemical_formula_sum            'C27 H67 Co N12 O29'
_chemical_formula_weight         1082.82
_space_group_IT_number           15
_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
_cell_angle_beta                 90.24(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.403(5)
_cell_length_b                   29.471(7)
_cell_length_c                   10.954(6)
_cell_measurement_temperature    296.2
_cell_volume                     5295(3)
_exptl_crystal_density_diffrn    1.358
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C27 H67 Co N12 O29 '
_cod_database_code               7100823
; Chemical Communications  (2006) –; doi:10.1039/b516807d

data_7100824
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516807d
_journal_year                    2006
_chemical_formula_sum            'C27 H67 Co N12 O29'
_chemical_formula_weight         1082.86
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 90.24(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.403(5)
_cell_length_b                   29.471(7)
_cell_length_c                   10.954(6)
_cell_measurement_temperature    293(2)
_cell_volume                     5295(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.358
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7100824
Growth of FePt nanocrystals by a single bimetallic precursor [(CO)3Fe(?-dppm)(?-CO)PtCl2]
Nam Hur.; Jung Hoon Hong.; Wan Seop Kim.; Youngmee Kim.; Sung-Jin Kim.; Yong Bok Lee; Hyon Min Song.; Chemical Communications  (2006) –; doi:10.1039/b516831g

data_7100825
_publ_section_title
;
Growth of FePt nanocrystals by a single bimetallic
precursor [(CO)3Fe(?-dppm)(?-CO)PtCl2]
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516831g
_journal_year                    2006
_chemical_formula_sum            'C29 H22 Cl2 Fe O4 P2 Pt'
_chemical_formula_weight         818.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.1710(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5348(7)
_cell_length_b                   17.6624(10)
_cell_length_c                   13.2114(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2859.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.901
_cod_depositor_comments
;
 Changing the _chemical_formula_sum data item value from
 'C31 H22 Fe O4 P2 Pt' to 'C29 H22 Cl2 Fe O4 P2 Pt'.

 Antanas Vaitkus,
 2017-01-15
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C29 H22 C2 Fe O4 P2 Pt'
_cod_database_code               7100825
Pressure effect on the electrical conductivity and superconductivity of beta-(BDA-TTP)2I3
Jun-ichi Yamada; Masashi Aimatsu; Hiroki Akutsu; Toshiaki Enoki; Kazuya Fujimoto; Koichi Kikuchi; S. Kudo; Akira Miyazaki; Shinichi Nakatsuji; Chemical Communications  (2006) –; doi:10.1039/b516909g

data_7100826
_publ_section_title
;
Pressure effect on the electrical conductivity and
superconductivity of beta-(BDA-TTP)2I3
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516909g
_journal_year                    2006
_chemical_formula_sum            'C24 H24 I3 S16'
_chemical_formula_weight         1206.13
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                95.263(9)
_cell_angle_beta                 106.576(8)
_cell_angle_gamma                95.766(9)
_cell_formula_units_Z            1
_cell_length_a                   9.2460(9)
_cell_length_b                   16.792(2)
_cell_length_c                   6.4950(7)
_cell_measurement_temperature    296.2
_cell_volume                     953.9(2)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    2.099
_cod_original_formula_sum        'C24 H24 I3 S16 '
_cod_database_code               7100826
Helical Aquatubes of calix[4]arene dicarboxylic acid
Adina N. Lazar; Nathalie Dupont; Alda Navaza; Antony W. Coleman; Chemical Communications  (2006) –; doi:10.1039/b516963c

data_7100827
_publ_section_title
;
Helical Aquatubes of calix[4]arene dicarboxylic acid
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516963c
_journal_year                    2006
_chemical_formula_moiety         '2(C32 H24 O8), 6.6(H2 O)'
_chemical_formula_sum            'C64 H61.2 O22.6'
_chemical_formula_weight         1191.92
_chemical_name_common            'calix[4]arene dimethoxycarboxylic acid'
_space_group_IT_number           146
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'P 3*'
_symmetry_space_group_name_H-M   'R 3 :R'
_cell_angle_alpha                116.65(2)
_cell_angle_beta                 116.65(2)
_cell_angle_gamma                116.65(2)
_cell_formula_units_Z            3
_cell_length_a                   20.937(2)
_cell_length_b                   20.937(2)
_cell_length_c                   20.937(2)
_cell_measurement_temperature    120(2)
_cell_volume                     4265(7)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.391
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               7100827
Bimodal association of a bis-1,2,3-dithiazolyl radical
Richard Oakley; Alicea A. Leitch; Courtney E McKenzie; Robert W. Reed; John F. Richardson; Lenora D. Sawyer; Chemical Communications  (2006) –; doi:10.1039/b517098b

data_7100828
_publ_section_title
;
Bimodal association of a bis-1,2,3-dithiazolyl radical
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517098b
_journal_year                    2006
_chemical_formula_moiety         'C12 H10 N8 S8'
_chemical_formula_sum            'C12 H10 N8 S8'
_chemical_formula_weight         522.84
_chemical_name_common            'alpha BPzEt dimer'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.594(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.332(2)
_cell_length_b                   7.4076(16)
_cell_length_c                   14.207(3)
_cell_measurement_temperature    298(2)
_cell_volume                     965.4(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.798
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100828
Bimodal association of a bis-1,2,3-dithiazolyl radical
Richard Oakley; Alicea A. Leitch; Courtney E McKenzie; Robert W. Reed; John F. Richardson; Lenora D. Sawyer; Chemical Communications  (2006) –; doi:10.1039/b517098b

data_7100829
_publ_section_title
;
Bimodal association of a bis-1,2,3-dithiazolyl radical
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517098b
_journal_year                    2006
_chemical_formula_moiety         'C12 H10 N8 S8'
_chemical_formula_sum            'C12 H10 N8 S8'
_chemical_formula_weight         522.84
_chemical_name_common            'beta BPzEt dimer'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.050(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.5411(15)
_cell_length_b                   7.583(2)
_cell_length_c                   27.391(9)
_cell_measurement_temperature    298(2)
_cell_volume                     940.9(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.845
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100829
A. Parenty; K. Guthrie; L. Smith; E. Burkholder; L. Cronin; Chemical Communications  (2006) –; doi:10.1039/b517117b

data_7100830
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517117b
_journal_year                    2006
_chemical_formula_sum            'C240 H160 N32'
_chemical_formula_weight         3492.00
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.288(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.4915(11)
_cell_length_b                   12.2167(12)
_cell_length_c                   16.0434(15)
_cell_measurement_temperature    293(2)
_cell_volume                     2138.5(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.356
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7100830
Synthesis of Ru-Pt and Ru-Pd mixed-metal imido clusters from a diruthenium imido-methylene scaffold [(Cp*Ru)2(mu2-NPh)(mu2-CH2)]
Hiroyuki Matsuzaka; Ken Kamikawa; Hidenobu Morita; Shin Takemoto; Chemical Communications  (2006) –; doi:10.1039/b517222e

data_7100831
_publ_section_title
;
Synthesis of Ru-Pt and Ru-Pd mixed-metal imido
clusters from a diruthenium imido-methylene scaffold
[(Cp*Ru)2(mu2-NPh)(mu2-CH2)]
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517222e
_journal_year                    2006
_chemical_formula_sum            'C34 H56 F3 N O3 P2 Pt Ru2 S'
_chemical_formula_weight         1075.03
_chemical_name_common
;
Synthesis of Ru-Pt and Ru-Pd mixed-metal imido clusters from
a diruthenium imido-methylene scaffold ((Cp*Ru)2(m2-NPh)(m2-CH2))
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.840(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.0174(7)
_cell_length_b                   13.6700(5)
_cell_length_c                   19.3130(10)
_cell_measurement_temperature    296(2)
_cell_volume                     3964.3(3)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.801
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100831
Synthesis of Ru-Pt and Ru-Pd mixed-metal imido clusters from a diruthenium imido-methylene scaffold [(Cp*Ru)2(mu2-NPh)(mu2-CH2)]
Hiroyuki Matsuzaka; Ken Kamikawa; Hidenobu Morita; Shin Takemoto; Chemical Communications  (2006) –; doi:10.1039/b517222e

data_7100832
_publ_section_title
;
Synthesis of Ru-Pt and Ru-Pd mixed-metal imido
clusters from a diruthenium imido-methylene scaffold
[(Cp*Ru)2(mu2-NPh)(mu2-CH2)]
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517222e
_journal_year                    2006
_chemical_formula_sum            'C30 H48 N P Pt Ru2'
_chemical_formula_weight         850.89
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.64(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.825(3)
_cell_length_b                   17.604(5)
_cell_length_c                   16.735(4)
_cell_measurement_temperature    296(2)
_cell_volume                     3185.6(15)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.774
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100832
Synthesis of Ru-Pt and Ru-Pd mixed-metal imido clusters from a diruthenium imido-methylene scaffold [(Cp*Ru)2(mu2-NPh)(mu2-CH2)]
Hiroyuki Matsuzaka; Ken Kamikawa; Hidenobu Morita; Shin Takemoto; Chemical Communications  (2006) –; doi:10.1039/b517222e

data_7100833
_publ_section_title
;
Synthesis of Ru-Pt and Ru-Pd mixed-metal imido
clusters from a diruthenium imido-methylene scaffold
[(Cp*Ru)2(mu2-NPh)(mu2-CH2)]
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517222e
_journal_year                    2006
_chemical_formula_sum            'C27 H36 Cl N Pd Ru2'
_chemical_formula_weight         718.56
_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                106.02(2)
_cell_angle_beta                 92.442(9)
_cell_angle_gamma                112.13(4)
_cell_formula_units_Z            2
_cell_length_a                   8.515(3)
_cell_length_b                   10.9474(2)
_cell_length_c                   16.620(5)
_cell_measurement_temperature    296(2)
_cell_volume                     1360.5(7)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.754
_cod_database_code               7100833
GaCl3 Assisted [2+3] Cycloaddition: A Route to Tetrazaphospholes
Alexander Villinger; Peter Mayer; Axel Schulz; Chemical Communications  (2006) –; doi:10.1039/b517459g

data_7100834
_publ_section_title
;
GaCl3 Assisted [2+3] Cycloaddition: A Route to
Tetrazaphospholes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b517459g
_journal_year                    2006
_chemical_formula_moiety         'N4 P Ga Cl3 C18 H29'
_chemical_formula_sum            'C18 H29 Cl3 Ga N4 P'
_chemical_formula_weight         508.505
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.2260(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.0103(2)
_cell_length_b                   14.8760(4)
_cell_length_c                   13.4368(4)
_cell_measurement_temperature    200(2)
_cell_volume                     1200.47(6)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.40679(7)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7100834