LMucko/crystallography-open-database huggingface dataset:
Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts
Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn; New Journal of Chemistry 30 (2006) 156–167; doi:10.1039/b510617f

data_7051518
_publ_section_title
;
Hydrophilic interior between hydrophobic regions in
inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl
phosphate salts
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              156
_journal_page_last               167
_journal_paper_doi               10.1039/b510617f
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C26 H21 N2 O6 P'
_chemical_formula_weight         488.42
_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                 113.548(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.659(5)
_cell_length_b                   6.8903(12)
_cell_length_c                   24.209(4)
_cell_measurement_temperature    203(2)
_cell_volume                     4382.5(13)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.481
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7051518
Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts
Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn; New Journal of Chemistry 30 (2006) 156–167; doi:10.1039/b510617f

data_7051519
_publ_section_title
;
Hydrophilic interior between hydrophobic regions in
inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl
phosphate salts
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              156
_journal_page_last               167
_journal_paper_doi               10.1039/b510617f
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C26 H18 N O6 P'
_chemical_formula_weight         471.38
_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                   6.8200(11)
_cell_length_b                   12.3523(19)
_cell_length_c                   25.480(4)
_cell_measurement_temperature    203(2)
_cell_volume                     2146.5(6)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.459
_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               7051519
Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts
Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn; New Journal of Chemistry 30 (2006) 156–167; doi:10.1039/b510617f

data_7051520
_publ_section_title
;
Hydrophilic interior between hydrophobic regions in
inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl
phosphate salts
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              156
_journal_page_last               167
_journal_paper_doi               10.1039/b510617f
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C43 H48 N6 O13 P2'
_chemical_formula_weight         918.81
_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                93.363(3)
_cell_angle_beta                 98.274(3)
_cell_angle_gamma                112.770(3)
_cell_formula_units_Z            2
_cell_length_a                   10.0813(15)
_cell_length_b                   11.2429(17)
_cell_length_c                   21.107(3)
_cell_measurement_temperature    203(2)
_cell_volume                     2165.7(6)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.409
_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               7051520
Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts
Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn; New Journal of Chemistry 30 (2006) 156–167; doi:10.1039/b510617f

data_7051521
_publ_section_title
;
Hydrophilic interior between hydrophobic regions in
inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl
phosphate salts
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              156
_journal_page_last               167
_journal_paper_doi               10.1039/b510617f
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C43.5 H54.5 Cu N4 O14 P2'
_chemical_formula_weight         982.89
_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                 97.654(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.867(2)
_cell_length_b                   9.1006(11)
_cell_length_c                   12.2266(14)
_cell_measurement_temperature    203(2)
_cell_volume                     2301.2(5)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.419
_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_original_formula_sum        'C43.50 H54.50 Cu N4 O14 P2'
_cod_database_code               7051521
Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts
Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn; New Journal of Chemistry 30 (2006) 156–167; doi:10.1039/b510617f

data_7051522
_publ_section_title
;
Hydrophilic interior between hydrophobic regions in
inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl
phosphate salts
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              156
_journal_page_last               167
_journal_paper_doi               10.1039/b510617f
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C46 H54 Cu O17 P2'
_chemical_formula_weight         1004.37
_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                 105.860(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   41.876(6)
_cell_length_b                   8.6579(13)
_cell_length_c                   13.225(2)
_cell_measurement_temperature    203(2)
_cell_volume                     4612.5(12)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.446
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7051522
Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts
Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn; New Journal of Chemistry 30 (2006) 156–167; doi:10.1039/b510617f

data_7051523
_publ_section_title
;
Hydrophilic interior between hydrophobic regions in
inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl
phosphate salts
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              156
_journal_page_last               167
_journal_paper_doi               10.1039/b510617f
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C46 H56 N4 Ni O14 P2'
_chemical_formula_weight         1009.60
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.7550(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   42.5440(18)
_cell_length_b                   9.0870(4)
_cell_length_c                   12.3730(5)
_cell_measurement_temperature    100(2)
_cell_volume                     4727.6(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.418
_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 c'
_cod_database_code               7051523
Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts
Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn; New Journal of Chemistry 30 (2006) 156–167; doi:10.1039/b510617f

data_7051524
_publ_section_title
;
Hydrophilic interior between hydrophobic regions in
inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl
phosphate salts
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              156
_journal_page_last               167
_journal_paper_doi               10.1039/b510617f
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C46 H56 N4 Ni O14 P2'
_chemical_formula_weight         1009.60
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.762(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   42.599(8)
_cell_length_b                   9.0906(18)
_cell_length_c                   12.432(2)
_cell_measurement_temperature    203(2)
_cell_volume                     4758.1(16)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.409
_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 c'
_cod_database_code               7051524
Mixed Ligand Helicates and Mesocates
Mike Ward; Harry Adams; J. Jeffery; T. Riis-Johannessen; Tanya K. Ronson; New Journal of Chemistry 30 (2006) 26–28; doi:10.1039/b515154f

data_7051548
_publ_section_title
;
Mixed Ligand Helicates and Mesocates
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              26
_journal_page_last               28
_journal_paper_doi               10.1039/b515154f
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C58 H44 Cu2 N8 O4'
_chemical_formula_weight         1044.09
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.4252(7)
_cell_length_b                   25.7105(16)
_cell_length_c                   31.2552(19)
_cell_measurement_temperature    100(2)
_cell_volume                     9181.1(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.511
_cod_database_code               7051548
Mixed Ligand Helicates and Mesocates
Mike Ward; Harry Adams; J. Jeffery; T. Riis-Johannessen; Tanya K. Ronson; New Journal of Chemistry 30 (2006) 26–28; doi:10.1039/b515154f

data_7051549
_publ_section_title
;
Mixed Ligand Helicates and Mesocates
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              26
_journal_page_last               28
_journal_paper_doi               10.1039/b515154f
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C62 H60 N8 O8 Zn2'
_chemical_formula_weight         1175.92
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.0294(14)
_cell_length_b                   28.052(3)
_cell_length_c                   28.125(3)
_cell_measurement_temperature    150(2)
_cell_volume                     11068.8(19)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.411
_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               7051549
Nano-dimensions for the pyrogallol[4]arene cavity
G.W.V.Cave; M.C.Ferrarelli; J.L.Atwood; Chemical Communications  (2005) –; doi:10.1039/b413829e

data_7100000
_publ_section_title
;
Nano-dimensions for the pyrogallol[4]arene cavity
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b413829e
_journal_year                    2005
_chemical_formula_moiety
;
(C40H48O12) (N2C10H8)2 OC3H6
;
_chemical_formula_sum            'C63 H70 N4 O13'
_chemical_formula_weight         1091.23
_chemical_name_common
;
2,8,14,20-tetrapropyl-4,5,6,10,11,12,16,17,18,22,23,24 -
dodecahydroxycalix(4)arene bis(4-(pyridin-4-yl)pyridine) propanone
clathrate
;
_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                 109.750(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.480(8)
_cell_length_b                   15.086(6)
_cell_length_c                   18.231(7)
_cell_measurement_temperature    173(2)
_cell_volume                     5560(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.304
_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               7100000
The Influence of Sterics on the Formation of Polar 1-D Hydrogen-Bonded Networks
Jon Parquette; Judith C. Gallucci; Adam J. Preston; Chemical Communications  (2005) –; doi:10.1039/b414470h

data_7100001
_publ_section_title
;
The Influence of Sterics on the Formation of Polar
1-D Hydrogen-Bonded Networks
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b414470h
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C13 H16 N4 O2'
_chemical_formula_sum            'C13 H16 N4 O2'
_chemical_formula_weight         260.30
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            10
_cell_length_a                   32.0792(5)
_cell_length_b                   14.4080(2)
_cell_length_c                   7.2035(1)
_cell_measurement_temperature    200(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     3329.44(8)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.298
_cod_database_code               7100001
; Chemical Communications  (2005) –; doi:10.1039/b414470h

data_7100002
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b414470h
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C17 H24 N4 O2'
_chemical_formula_sum            'C17 H24 N4 O2'
_chemical_formula_weight         316.4
_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                 91.021(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.131(1)
_cell_length_b                   13.950(2)
_cell_length_c                   20.220(3)
_cell_measurement_temperature    150(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     1729.1(5)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.215
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7100002
Synthesis and Characterisation of a {Ni8} Single Molecule Magnet and A Related Cage
R. Winpenny; Guillem. Aromi; Aidan Bell; S. J. Teat; Wolfgang Wernsdorfer; Chemical Communications  (2005) –; doi:10.1039/b500581g

data_7100003
_publ_section_title
;
Synthesis and Characterisation of a {Ni8} Single
Molecule Magnet and A Related Cage
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b500581g
_journal_year                    2005
_chemical_formula_sum            'C60 H77.5 F4 N6 Na Ni4 O13.25'
_chemical_formula_weight         1456.63
_space_group_IT_number           211
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I 4 2 3'
_symmetry_space_group_name_H-M   'I 4 3 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   29.5764(13)
_cell_length_b                   29.5764(13)
_cell_length_c                   29.5764(13)
_cell_measurement_temperature    150(2)
_cell_volume                     25872(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.122
_cod_depositor_comments
;

2023-11-22
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C120 H155 F8 N12 Na2 Ni8 O26.5'
_cod_original_formula_weight         2913.26
_cod_original_formula_units_Z            6
_cod_database_code               7100003
Synthesis and Characterisation of a {Ni8} Single Molecule Magnet and A Related Cage
R. Winpenny; Guillem. Aromi; Aidan Bell; S. J. Teat; Wolfgang Wernsdorfer; Chemical Communications  (2005) –; doi:10.1039/b500581g

data_7100004
_publ_section_title
;
Synthesis and Characterisation of a {Ni8} Single
Molecule Magnet and A Related Cage
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b500581g
_journal_year                    2005
_chemical_formula_sum            'C77.3 H115 N56 Na2 Ni8 O29.3'
_chemical_formula_weight         2790.53
_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                 103.176(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.055(6)
_cell_length_b                   16.408(6)
_cell_length_c                   23.826(9)
_cell_measurement_temperature    100(2)
_cell_volume                     6111(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.517
_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_original_formula_sum        'C77.30 H115 N56 Na2 Ni8 O29.30'
_cod_database_code               7100004
Reversible ferromagnetic-antiferromagnetic transformation upon dehydration-hydration of the nanoporous coordination framework, [Co3(OH)2(C4O4)2] 3H2O
Kurmoo, Mohamedally; Kumagai, Hitoshi; Chapman, Karena W.; Kepert, Cameron J.; Chemical Communications  (2005) –; doi:10.1039/b500614g

data_7100005
_publ_section_title
;
Reversible ferromagnetic-antiferromagnetic transformation upon
dehydration-hydration of the nanoporous coordination framework,
[Co3(OH)2(C4O4)2] 3H2O
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b500614g
_journal_year                    2005
_chemical_formula_moiety         'C8 H2 Co3 O10, H6 O3'
_chemical_formula_sum            'C8 H8 Co3 O13'
_chemical_formula_weight         488.94
_chemical_name_common            'cobalt squarate hydroxide hydrate'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.533(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2966(10)
_cell_length_b                   12.8636(13)
_cell_length_c                   5.4998(6)
_cell_measurement_temperature    150(2)
_cell_volume                     657.68(12)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.469
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7100005