LMucko/crystallography-open-database huggingface dataset:
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044077p

data_4100673
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044077p
_journal_year                    2005
_chemical_formula_moiety         C61H54ClFeN6
_chemical_formula_sum            'C61 H54 Cl Fe N6'
_chemical_formula_weight         962.40
_chemical_name_common            Fe(TTP)(2-MeHIM)
_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                 96.9990(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9178(3)
_cell_length_b                   22.8372(4)
_cell_length_c                   15.4107(3)
_cell_measurement_temperature    100(2)
_cell_volume                     4861.69(16)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.315
_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               4100673
Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044107o

data_4100674
_publ_section_title
;
Electrochemical synthesis, crystal structure, and photomagnetic properties
 of a three-dimensional cyano-bridged copper-molybdenum complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044107o
_journal_year                    2005
_chemical_formula_moiety         'Cs2, Cu7, 4(C8 Mo N8), 6(H2 O)'
_chemical_formula_sum            'C32 H12 Cs2 Cu7 Mo4 N32 O6'
_chemical_formula_weight         2035.04
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.2444(9)
_cell_length_b                   7.2444(9)
_cell_length_c                   28.417(5)
_cell_measurement_temperature    123.2
_cell_volume                     1491.4(4)
_exptl_crystal_density_diffrn    2.266
_cod_database_code               4100674
Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044200c

data_4100675
_publ_section_title
;
Electrochemical synthesis, crystal structure, and photomagnetic properties
 of a three-dimensional cyano-bridged copper-molybdenum complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044200c
_journal_year                    2005
_chemical_formula_sum            'C18 H68 B3 F6 N12 O14 P'
_chemical_formula_weight         854.24
_chemical_name_common
;
 Guanidinium tetramethoxyborate hexafluorophosphate solvate
;
_space_group_IT_number           215
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   10.5722(4)
_cell_length_b                   10.5722(4)
_cell_length_c                   10.5722(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1181.67(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.200
_cod_database_code               4100675
Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044200c

data_4100676
_publ_section_title
;
Electrochemical synthesis, crystal structure, and photomagnetic properties
 of a three-dimensional cyano-bridged copper-molybdenum complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044200c
_journal_year                    2005
_chemical_formula_sum            'C20 H76 B3 Cl N12 O16'
_chemical_formula_weight         808.81
_chemical_name_common
;
Guanidinium tetramethoxyborate chloride solvate
;
_space_group_IT_number           215
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   10.6139(4)
_cell_length_b                   10.6139(4)
_cell_length_c                   10.6139(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1195.71(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.123
_cod_database_code               4100676
Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0443777

data_4100677
_publ_section_title
;
Electrochemical synthesis, crystal structure, and photomagnetic properties
 of a three-dimensional cyano-bridged copper-molybdenum complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0443777
_journal_year                    2005
_chemical_formula_sum            'C44 H64 Ir4 O12 P2 Pt2'
_chemical_formula_weight         2005.87
_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                101.230(2)
_cell_angle_beta                 94.949(2)
_cell_angle_gamma                91.420(2)
_cell_formula_units_Z            2
_cell_length_a                   8.6678(11)
_cell_length_b                   14.6290(18)
_cell_length_c                   22.004(3)
_cell_measurement_temperature    296(2)
_cell_volume                     2724.1(6)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    2.445
_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               4100677
Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0443777

data_4100678
_publ_section_title
;
Electrochemical synthesis, crystal structure, and photomagnetic properties
 of a three-dimensional cyano-bridged copper-molybdenum complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0443777
_journal_year                    2005
_chemical_formula_sum            'C60 H108 Ir8 O12 P4 Pt4'
_chemical_formula_weight         3463.30
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   41.4988(13)
_cell_length_b                   27.0640(9)
_cell_length_c                   25.7975(8)
_cell_measurement_temperature    296(2)
_cell_volume                     28973.8(16)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    2.382
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               4100678
Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0443777

data_4100679
_publ_section_title
;
Electrochemical synthesis, crystal structure, and photomagnetic properties
 of a three-dimensional cyano-bridged copper-molybdenum complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0443777
_journal_year                    2005
_chemical_formula_sum            'C60 H111 Ir6 N O10 P4 Pt4'
_chemical_formula_weight         3063.94
_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                 91.7320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.6831(6)
_cell_length_b                   15.6634(4)
_cell_length_c                   25.1088(7)
_cell_measurement_temperature    296(2)
_cell_volume                     7737.6(4)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    2.630
_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/n'
_cod_database_code               4100679
Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0443777

data_4100680
_publ_section_title
;
Electrochemical synthesis, crystal structure, and photomagnetic properties
 of a three-dimensional cyano-bridged copper-molybdenum complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0443777
_journal_year                    2005
_chemical_formula_sum            'C64 H132 Ir6 O10 P4 Pt4'
_chemical_formula_weight         3119.14
_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                105.1190(10)
_cell_angle_beta                 99.9020(10)
_cell_angle_gamma                104.2220(10)
_cell_formula_units_Z            2
_cell_length_a                   12.5080(7)
_cell_length_b                   14.9767(9)
_cell_length_c                   23.6748(14)
_cell_measurement_temperature    100(2)
_cell_volume                     4016.0(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.579
_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               4100680
Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044389s

data_4100681
_publ_section_title
;
Electrochemical synthesis, crystal structure, and photomagnetic properties
 of a three-dimensional cyano-bridged copper-molybdenum complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044389s
_journal_year                    2005
_chemical_formula_sum            'F15 Ga3 In14 O8 Pt2'
_chemical_formula_weight         2619.82
_chemical_name_common            Platinindiumfluorogallateoxogallate
_space_group_IT_number           166
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   7.0900(10)
_cell_length_b                   7.0900(10)
_cell_length_c                   45.566(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1983.6(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.579
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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      'R ?'
_cod_database_code               4100681
Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044512f

data_4100682
_publ_section_title
;
Electrochemical synthesis, crystal structure, and photomagnetic properties
 of a three-dimensional cyano-bridged copper-molybdenum complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044512f
_journal_year                    2005
_chemical_formula_moiety         'C20 H30 Cl N O2 Ti'
_chemical_formula_sum            'C20 H30 Cl N O2 Ti'
_chemical_formula_weight         399.80
_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                 107.905(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.402(2)
_cell_length_b                   9.5935(17)
_cell_length_c                   15.103(3)
_cell_measurement_temperature    163(2)
_cell_volume                     1985.6(6)
_diffrn_ambient_temperature      163(2)
_exptl_crystal_density_diffrn    1.337
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100682
Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.
Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0446101

data_4100683
_publ_section_title
;
Molecular Control of Macroscopic Cubic, Columnar and Lamellar
Organizations in Luminescent Lanthanide-containing Thermotropic
Liquid Crystals.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0446101
_journal_year                    2005
_chemical_formula_moiety         'C37 H29 Eu N5 O4 ; (N O3)3 ; (C H3 C N)3'
_chemical_formula_sum            'C43 H38 Eu N11 O13'
_chemical_formula_weight         1068.9
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.505(7)
_cell_angle_beta                 92.569(7)
_cell_angle_gamma                90.395(8)
_cell_formula_units_Z            2
_cell_length_a                   10.3411(7)
_cell_length_b                   12.6338(8)
_cell_length_c                   17.9017(10)
_cell_measurement_temperature    200
_cell_volume                     2251.0(3)
_exptl_crystal_density_diffrn    1.577
_cod_database_code               4100683
Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.
Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0446101

data_4100684
_publ_section_title
;
Molecular Control of Macroscopic Cubic, Columnar and Lamellar
Organizations in Luminescent Lanthanide-containing Thermotropic
Liquid Crystals.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0446101
_journal_year                    2005
_chemical_formula_moiety         'C37 H29 N5 O4 Yb ; (N O3)3 ; (C H3 C N)'
_chemical_formula_sum            'C39 H32 N9 O13 Yb'
_chemical_formula_weight         1007.8
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.346(11)
_cell_angle_beta                 105.641(10)
_cell_angle_gamma                98.462(11)
_cell_formula_units_Z            2
_cell_length_a                   10.9828(9)
_cell_length_b                   12.6817(12)
_cell_length_c                   15.6892(14)
_cell_measurement_temperature    200
_cell_volume                     2066.0(4)
_exptl_crystal_density_diffrn    1.620
_cod_database_code               4100684
Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.
Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0446101

data_4100685
_publ_section_title
;
Molecular Control of Macroscopic Cubic, Columnar and Lamellar
Organizations in Luminescent Lanthanide-containing Thermotropic
Liquid Crystals.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0446101
_journal_year                    2005
_chemical_formula_moiety         'C43 H41 N5 O10 Zn ; (N O3)2 ; (C3 H7 N O)3'
_chemical_formula_sum            'C52 H62 N10 O19 Zn'
_chemical_formula_weight         1196.6
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.098(8)
_cell_angle_beta                 76.094(9)
_cell_angle_gamma                71.858(9)
_cell_formula_units_Z            2
_cell_length_a                   11.4075(9)
_cell_length_b                   15.8957(12)
_cell_length_c                   17.4287(12)
_cell_measurement_temperature    200
_cell_volume                     2868.0(5)
_exptl_crystal_density_diffrn    1.386
_cod_database_code               4100685
Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.
Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0446101

data_4100686
_publ_section_title
;
Molecular Control of Macroscopic Cubic, Columnar and Lamellar
Organizations in Luminescent Lanthanide-containing Thermotropic
Liquid Crystals.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0446101
_journal_year                    2005
_chemical_formula_moiety         'C37 H39 La N5 O4 ; (N O3)3 ; C3 H6 O'
_chemical_formula_sum            'C40 H35 La N8 O14'
_chemical_formula_weight         990.7
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.292(10)
_cell_angle_beta                 93.702(9)
_cell_angle_gamma                101.232(9)
_cell_formula_units_Z            2
_cell_length_a                   10.1303(7)
_cell_length_b                   11.0520(9)
_cell_length_c                   18.7876(16)
_cell_measurement_temperature    200
_cell_volume                     2042.8(3)
_exptl_crystal_density_diffrn    1.611
_cod_database_code               4100686
Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.
Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0446101

data_4100687
_publ_section_title
;
Molecular Control of Macroscopic Cubic, Columnar and Lamellar
Organizations in Luminescent Lanthanide-containing Thermotropic
Liquid Crystals.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0446101
_journal_year                    2005
_chemical_formula_moiety         'C43 H41 N5 O10'
_chemical_formula_sum            'C43 H41 N5 O10'
_chemical_formula_weight         787.9
_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                90.00000
_cell_angle_beta                 92.808(4)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   8.9867(3)
_cell_length_b                   14.0148(6)
_cell_length_c                   30.7044(11)
_cell_measurement_temperature    200
_cell_volume                     3862.5(3)
_exptl_crystal_density_diffrn    1.355
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100687