LMucko/crystallography-open-database huggingface dataset:
Towards ceramic 'enzymes': vanadoborates with bimetallic centers [Zn4(m-B2O4H2)(V10B28O74H8)]8- and [Mn4(m-C2O4)(V10B28O74H8)]10-
Ian Williams; Jiwen Cai; Teresa S.-C. Law; Herman H. Y. Sung; Mingmei Wu; Chemical Communications  (2005) –; doi:10.1039/b414697b

data_7100326
_publ_section_title
;
Towards ceramic 'enzymes': vanadoborates with
bimetallic centers [Zn4(m-B2O4H2)(V10B28O74H8)]8- and
[Mn4(m-C2O4)(V10B28O74H8)]10-
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b414697b
_journal_year                    2005
_chemical_formula_sum            'C16 H90 B32 N16 O98 V10 Zn10'
_chemical_formula_weight         3584.06
_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                 90.0110(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.0801(8)
_cell_length_b                   17.0717(8)
_cell_length_c                   20.1404(10)
_cell_measurement_temperature    100(2)
_cell_volume                     5872.7(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.027
_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               7100326
Towards ceramic 'enzymes': vanadoborates with bimetallic centers [Zn4(m-B2O4H2)(V10B28O74H8)]8- and [Mn4(m-C2O4)(V10B28O74H8)]10-
Ian Williams; Jiwen Cai; Teresa S.-C. Law; Herman H. Y. Sung; Mingmei Wu; Chemical Communications  (2005) –; doi:10.1039/b414697b

data_7100327
_publ_section_title
;
Towards ceramic 'enzymes': vanadoborates with
bimetallic centers [Zn4(m-B2O4H2)(V10B28O74H8)]8- and
[Mn4(m-C2O4)(V10B28O74H8)]10-
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b414697b
_journal_year                    2005
_chemical_formula_sum            'C2 H82 B32 K6 Mn4 O119 V10'
_chemical_formula_weight         3320.36
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.156(3)
_cell_length_b                   15.892(3)
_cell_length_c                   21.353(4)
_cell_measurement_temperature    100(2)
_cell_volume                     5142.9(17)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.144
_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               7100327
Towards ceramic 'enzymes': vanadoborates with bimetallic centers [Zn4(m-B2O4H2)(V10B28O74H8)]8- and [Mn4(m-C2O4)(V10B28O74H8)]10-
Ian Williams; Jiwen Cai; Teresa S.-C. Law; Herman H. Y. Sung; Mingmei Wu; Chemical Communications  (2005) –; doi:10.1039/b414697b

data_7100328
_publ_section_title
;
Towards ceramic 'enzymes': vanadoborates with
bimetallic centers [Zn4(m-B2O4H2)(V10B28O74H8)]8- and
[Mn4(m-C2O4)(V10B28O74H8)]10-
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b414697b
_journal_year                    2005
_chemical_formula_sum            'C6 H114 B28 Mn4 O132 V10'
_chemical_formula_weight         3330.81
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.1826(6)
_cell_length_b                   17.1826(6)
_cell_length_c                   19.5059(11)
_cell_measurement_temperature    298(2)
_cell_volume                     5759.0(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.921
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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               7100328
Novel Poly(methimazolyl)borate Complexes of Niobium and Tantalum
M.K. Smith; A.F. Hill; Chemical Communications  (2005) –; doi:10.1039/b415852k

data_7100329
_publ_section_title
;
Novel Poly(methimazolyl)borate Complexes of Niobium
and Tantalum
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b415852k
_journal_year                    2005
_chemical_formula_sum            'C31 H33 B Cl2 N6 S3 Sn'
_chemical_formula_weight         786.21
_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                96.09(3)
_cell_angle_beta                 98.22(3)
_cell_angle_gamma                114.39(3)
_cell_formula_units_Z            2
_cell_length_a                   9.1800(18)
_cell_length_b                   10.140(2)
_cell_length_c                   21.540(4)
_cell_measurement_temperature    200(2)
_cell_volume                     1776.8(6)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.470
_cod_database_code               7100329
; Chemical Communications  (2005) –; doi:10.1039/b415852k

data_7100330
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b415852k
_journal_year                    2005
_chemical_formula_sum            'C16 H22 B Cl4 N4 Nb S2'
_chemical_formula_weight         580.01
_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                 109.247(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.983(5)
_cell_length_b                   10.429(5)
_cell_length_c                   16.715(5)
_cell_measurement_temperature    200(2)
_cell_volume                     4276(3)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.802
_cod_depositor_comments
;

2018-06-15
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C32 H44 B2 Cl8 N8 Nb2 S4'
_cod_original_formula_weight         1160.03
_cod_original_formula_units_Z            4
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7100330
; Chemical Communications  (2005) –; doi:10.1039/b415852k

data_7100331
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b415852k
_journal_year                    2005
_chemical_formula_sum            'C6.5 H8 B0.5 Cl2 N2 S Ta0.5'
_chemical_formula_weight         312.99
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.343(5)
_cell_length_b                   12.087(5)
_cell_length_c                   13.837(5)
_cell_measurement_temperature    200(2)
_cell_volume                     1897.1(13)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    2.192
_cod_original_formula_sum        'C6.50 H8 B0.50 Cl2 N2 S Ta0.50'
_cod_database_code               7100331
Head-to-Tail Self-Assembly of a Caliz[4]arene Inclusion Polymer Controlled by a Pendant Arm
Anthony Coleman; Sebastien Cecillon; Oksana Danylyuk; Adina Lazar; Beth Rather; Kinga Suwinska; M. Zaworotko; Chemical Communications  (2005) –; doi:10.1039/b416589f

data_7100332
_publ_section_title
;
Head-to-Tail Self-Assembly of a Caliz[4]arene
Inclusion Polymer Controlled by a Pendant Arm
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416589f
_journal_year                    2005
_chemical_formula_sum            'C32 H30 O6'
_chemical_formula_weight         510.56
_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                 95.53(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   10.432(2)
_cell_length_b                   16.514(3)
_cell_length_c                   45.259(9)
_cell_measurement_temperature    200(2)
_cell_volume                     7761(3)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.311
_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               7100332
Head-to-Tail Self-Assembly of a Caliz[4]arene Inclusion Polymer Controlled by a Pendant Arm
Anthony Coleman; Sebastien Cecillon; Oksana Danylyuk; Adina Lazar; Beth Rather; Kinga Suwinska; M. Zaworotko; Chemical Communications  (2005) –; doi:10.1039/b416589f

data_7100333
_publ_section_title
;
Head-to-Tail Self-Assembly of a Caliz[4]arene
Inclusion Polymer Controlled by a Pendant Arm
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416589f
_journal_year                    2005
_chemical_formula_sum            'C33 H31 Cl3 O6'
_chemical_formula_weight         639.93
_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                 99.564(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9991(3)
_cell_length_b                   15.1151(4)
_cell_length_c                   19.8410(6)
_cell_measurement_temperature    100(2)
_cell_volume                     2957.0(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.415
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100333
Head-to-Tail Self-Assembly of a Caliz[4]arene Inclusion Polymer Controlled by a Pendant Arm
Anthony Coleman; Sebastien Cecillon; Oksana Danylyuk; Adina Lazar; Beth Rather; Kinga Suwinska; M. Zaworotko; Chemical Communications  (2005) –; doi:10.1039/b416589f

data_7100334
_publ_section_title
;
Head-to-Tail Self-Assembly of a Caliz[4]arene
Inclusion Polymer Controlled by a Pendant Arm
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416589f
_journal_year                    2005
_chemical_formula_sum            'C39 H38 O6'
_chemical_formula_weight         602.69
_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                85.602(2)
_cell_angle_beta                 71.504(2)
_cell_angle_gamma                80.313(1)
_cell_formula_units_Z            2
_cell_length_a                   10.2613(3)
_cell_length_b                   11.2683(3)
_cell_length_c                   14.4682(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1563.29(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.280
_cod_database_code               7100334
Molecular capsules based on p-sulfonato-calix[6]arene shrouding two tetra-phenyl phosphonium cations
Mohamed Makha; Colin L. Raston; Alexandre N. Sobolev; Allan H. White; Chemical Communications  (2005) –; doi:10.1039/b416590j

data_7100335
_publ_section_title
;
Molecular capsules based on p-sulfonato-calix[6]arene shrouding
two tetra-phenyl phosphonium cations
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416590j
_journal_year                    2005
_chemical_formula_moiety
'2(C42 H29 O24 S6), 8(C24 H20 P), 2(H16 O8 Yb), 71(H2 O)'
_chemical_formula_sum            'C276 H392 O135 P8 S12 Yb2'
_chemical_formula_weight         6848.46
_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                71.369(5)
_cell_angle_beta                 84.534(5)
_cell_angle_gamma                89.451(5)
_cell_formula_units_Z            1
_cell_length_a                   19.680(5)
_cell_length_b                   20.579(5)
_cell_length_c                   21.631(5)
_cell_measurement_temperature    153(2)
_cell_volume                     8262(3)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.377
_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               7100335
Encapsulation of [Fe(H2O)6]3+ by dinuclear {Fe2(hpdta)} units leads to a nonanuclear S = 13/2 Fe(III) oxo cluster showing magnetic hysteresis
Wolfgang Schmitt; Christopher E. Anson; Wolfgang Wernsdorfer; Annie K. Powell; Chemical Communications  (2005) –; doi:10.1039/b416766j

data_7100336
_publ_section_title
;
Encapsulation of [Fe(H2O)6]3+ by dinuclear
{Fe2(hpdta)} units leads to  a nonanuclear S = 13/2 Fe(III) oxo cluster
showing magnetic hysteresis
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416766j
_journal_year                    2005
_chemical_formula_sum            'C49 H86 Fe9 K5 N8 O54'
_chemical_formula_weight         2349.41
_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                105.880(9)
_cell_angle_beta                 113.106(9)
_cell_angle_gamma                102.777(9)
_cell_formula_units_Z            1
_cell_length_a                   12.9507(15)
_cell_length_b                   13.7625(17)
_cell_length_c                   13.7737(16)
_cell_measurement_temperature    200(2)
_cell_volume                     2016.5(4)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.935
_cod_database_code               7100336
Terminal co-ligand directed synthesis of a neutral, non-interpenetrated (10,3)-a metal-organic framework
Jarrod F. Eubank; Rosa D. Walsh; Mohamed Eddaoudi; Chemical Communications  (2005) –; doi:10.1039/b417013j

data_7100337
_publ_section_title
;
Terminal co-ligand directed synthesis of a neutral, non-interpenetrated
(10,3)-a metal-organic framework
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417013j
_journal_year                    2005
_chemical_formula_sum            'C15 H15 Cu N3 O5'
_chemical_formula_weight         380.84
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8199(7)
_cell_length_b                   10.4971(10)
_cell_length_c                   19.0810(18)
_cell_measurement_temperature    100(2)
_cell_volume                     1566.3(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.615
_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               7100337
Terminal co-ligand directed synthesis of a neutral, non-interpenetrated (10,3)-a metal-organic framework
Jarrod F. Eubank; Rosa D. Walsh; Mohamed Eddaoudi; Chemical Communications  (2005) –; doi:10.1039/b417013j

data_7100338
_publ_section_title
;
Terminal co-ligand directed synthesis of a neutral, non-interpenetrated
(10,3)-a metal-organic framework
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417013j
_journal_year                    2005
_chemical_formula_sum            'C17 H13 Cu N3 O4'
_chemical_formula_weight         386.84
_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                 93.690(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0877(10)
_cell_length_b                   11.5960(11)
_cell_length_c                   14.6823(14)
_cell_measurement_temperature    173(2)
_cell_volume                     1713.9(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.499
_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               7100338
Majumder, A.; Choudhury, C. R.; Mitra, S.; Rosair, G.; El Fallah, M. S.; Ribas, J.; Chemical Communications  (2005) 2158–2160; doi:10.1039/b417019a

data_7100339
_journal_name_full               'Chemical Communications'
_journal_page_first              2158
_journal_page_last               2160
_journal_paper_doi               10.1039/b417019a
_journal_year                    2005
_chemical_formula_moiety         'C32 H36 Cu3 N12 O6, 2(Cl O4), C H4 O'
_chemical_formula_sum            'C33 H40 Cl2 Cu3 N12 O15'
_chemical_formula_weight         1106.28
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   9.156(2)
_cell_length_b                   9.156(2)
_cell_length_c                   44.51(3)
_cell_measurement_temperature    100(2)
_cell_volume                     3231(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.705
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
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 -3'
_cod_database_code               7100339
Photochromism of a Spirooxazine in the Single Crystalline Phase
D.G. Patel; J.B. Benedict; N.L. Frank; Roni A. Kopelman; Chemical Communications  (2005) –; doi:10.1039/b417026a

data_7100340
_publ_section_title
;
Photochromism of a Spirooxazine in the Single
Crystalline Phase
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417026a
_journal_year                    2005
_chemical_formula_moiety         'C21 H23 N3 O'
_chemical_formula_sum            'C21 H23 N3 O'
_chemical_formula_weight         333.42
_chemical_name_common            DP-1-137
_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                 100.5580(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.6340(2)
_cell_length_b                   15.3270(4)
_cell_length_c                   16.2050(6)
_cell_measurement_temperature    130(2)
_cell_volume                     1619.82(9)
_diffrn_ambient_temperature      130(2)
_exptl_crystal_density_diffrn    1.367
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100340
The first example of a crystalline guest-free form of the tris(5-acetyl-3-thienyl) methane (TATM) host material.
John Ripmeester; Gary D. Enright; Paul S. Sidhu; Konstantin A. Udachin; Chemical Communications  (2005) –; doi:10.1039/b417110a

data_7100341
_publ_section_title
;
The first example of a crystalline guest-free form of
the tris(5-acetyl-3-thienyl) methane (TATM) host material.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417110a
_journal_year                    2005
_chemical_formula_sum            'C38 H32 O6 S6'
_chemical_formula_weight         777.00
_chemical_name_common            TATM
_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                82.316(2)
_cell_angle_beta                 72.311(2)
_cell_angle_gamma                88.529(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5004(12)
_cell_length_b                   12.5300(15)
_cell_length_c                   14.8353(17)
_cell_measurement_temperature    173(2)
_cell_volume                     1842.7(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.400
_cod_database_code               7100341