LMucko/crystallography-open-database huggingface dataset:
Anion-pi Interaction Augments Halide Binding in Solution
Darren Johnson; Orion B. Berryman; Fraser Hol; Chemical Communications  (2006) –; doi:10.1039/b511570a

data_7100625
_publ_section_title
;
Anion-pi Interaction Augments Halide Binding in
Solution
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511570a
_journal_year                    2006
_chemical_formula_sum            'C19 H12 F5 N O2 S'
_chemical_formula_weight         413.36
_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                97.125(2)
_cell_angle_beta                 112.783(2)
_cell_angle_gamma                101.426(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0547(11)
_cell_length_b                   10.2933(12)
_cell_length_c                   10.4106(13)
_cell_measurement_temperature    153(2)
_cell_volume                     854.95(18)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.606
_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               7100625
Anion-pi Interaction Augments Halide Binding in Solution
Darren Johnson; Orion B. Berryman; Fraser Hol; Chemical Communications  (2006) –; doi:10.1039/b511570a

data_7100626
_publ_section_title
;
Anion-pi Interaction Augments Halide Binding in Solution
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511570a
_journal_year                    2006
_chemical_formula_sum            'C35 H47 Br F5 N2 O2.5 S'
_chemical_formula_weight         742.72
_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                74.118(6)
_cell_angle_beta                 83.011(6)
_cell_angle_gamma                89.974(6)
_cell_formula_units_Z            4
_cell_length_a                   10.863(4)
_cell_length_b                   16.807(6)
_cell_length_c                   21.000(7)
_cell_measurement_temperature    153(2)
_cell_volume                     3658(2)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.349
_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_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C35 H47 Br F5 N2 O2.50 S'
_cod_database_code               7100626
An Organically Sandwiched Cobalt Hydroxide Possessing a Distorted Kagom/'e Lattice: Evidence for coexistence of Spin Frustration and Long range ordering
Yan-Zhen Zheng; Ming-Liang Tong; Wei-Xiong Zhang; Xiao-Ming Chen; Chemical Communications  (2006) –; doi:10.1039/b511612k

data_7100627
_publ_section_title
;
An Organically Sandwiched Cobalt Hydroxide Possessing a
Distorted Kagom/'e Lattice: Evidence for coexistence of
Spin Frustration and Long range ordering
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511612k
_journal_year                    2006
_chemical_formula_sum            'C16 H22 Co3 O10'
_chemical_formula_weight         551.13
_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                   13.6274(9)
_cell_length_b                   10.0360(7)
_cell_length_c                   28.5576(19)
_cell_measurement_temperature    293(2)
_cell_volume                     3905.7(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.875
_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               7100627
Supramolecular stabilization of hydroxylamine TEMPOH by complexation with an amphiphilic calixarene
Gennady S. Ananchenko; Michaela Pojarova; Konstantin A. Udachin; Donald M. Leek; Antony W. Coleman; J.A. Ripmeester; Chemical Communications  (2006) –; doi:10.1039/b511810g

data_7100628
_publ_section_title
;
Supramolecular stabilization of hydroxylamine TEMPOH
by complexation with an amphiphilic calixarene
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511810g
_journal_year                    2006
_chemical_formula_sum            'C63 H91 N O11'
_chemical_formula_weight         1038.37
_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                 95.870(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4572(18)
_cell_length_b                   22.041(4)
_cell_length_c                   24.899(4)
_cell_measurement_temperature    125(2)
_cell_volume                     5708.8(17)
_diffrn_ambient_temperature      125(2)
_exptl_crystal_density_diffrn    1.208
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100628
Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi; Chemical Communications  (2006) –; doi:10.1039/b511941c

data_7100629
_publ_section_title
;
Determination of the Hydrogen Absorption Sites in
Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511941c
_journal_year                    2006
_chemical_formula_moiety         'C24 H12 O13 Zn4, 4(H2), 4(H)'
_chemical_formula_sum            'C24 H23.94 O13 Zn4'
_chemical_formula_weight         779.94
_chemical_name_common
'Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.8821(5)
_cell_length_b                   25.8821(5)
_cell_length_c                   25.8821(5)
_cell_measurement_temperature    5(2)
_cell_volume                     17338.0(6)
_diffrn_ambient_temperature      5(2)
_exptl_crystal_density_diffrn    0.598
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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               7100629
Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi; Chemical Communications  (2006) –; doi:10.1039/b511941c

data_7100630
_publ_section_title
;
Determination of the Hydrogen Absorption Sites in
Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511941c
_journal_year                    2006
_chemical_formula_moiety         'C24 H12 O13 Zn4, 4(H2)'
_chemical_formula_sum            'C24 H20 O13 Zn4'
_chemical_formula_weight         776.00
_chemical_name_common
'Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.8821(5)
_cell_length_b                   25.8821(5)
_cell_length_c                   25.8821(5)
_cell_measurement_temperature    30(2)
_cell_volume                     17338.0(6)
_diffrn_ambient_temperature      30(2)
_exptl_crystal_density_diffrn    0.595
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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               7100630
Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi; Chemical Communications  (2006) –; doi:10.1039/b511941c

data_7100631
_publ_section_title
;
Determination of the Hydrogen Absorption Sites in
Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511941c
_journal_year                    2006
_chemical_formula_moiety         'C24 H12 O13 Zn4, 4(H)'
_chemical_formula_sum            'C24 H16 O13 Zn4'
_chemical_formula_weight         772.00
_chemical_name_common
'Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.856(3)
_cell_length_b                   25.856(3)
_cell_length_c                   25.856(3)
_cell_measurement_temperature    50(2)
_cell_volume                     17286(3)
_diffrn_ambient_temperature      50(2)
_exptl_crystal_density_diffrn    0.593
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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               7100631
Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi; Chemical Communications  (2006) –; doi:10.1039/b511941c

data_7100632
_publ_section_title
;
Determination of the Hydrogen Absorption Sites in
Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511941c
_journal_year                    2006
_chemical_formula_moiety         'C24 H12 O13 Zn4'
_chemical_formula_sum            'C24 H12 O13 Zn4'
_chemical_formula_weight         768.00
_chemical_name_common
'Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.856(3)
_cell_length_b                   25.856(3)
_cell_length_c                   25.856(3)
_cell_measurement_temperature    120(2)
_cell_volume                     17286(3)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    0.590
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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               7100632
Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi; Chemical Communications  (2006) –; doi:10.1039/b511941c

data_7100633
_publ_section_title
;
Determination of the Hydrogen Absorption Sites in
Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511941c
_journal_year                    2006
_chemical_formula_moiety         'C24 H12 O13 Zn4'
_chemical_formula_sum            'C24 H12 O13 Zn4'
_chemical_formula_weight         768.00
_chemical_name_common
'Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.8878(4)
_cell_length_b                   25.8878(4)
_cell_length_c                   25.8878(4)
_cell_measurement_temperature    150(2)
_cell_volume                     17349.4(5)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    0.588
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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               7100633
Determination of the Hydrogen Absorption Sites in Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
Judith A. K. Howard; Garry J. McIntyre; Jesse L. C. Rowsell; Elinor Spencer; Omar Yaghi; Chemical Communications  (2006) –; doi:10.1039/b511941c

data_7100634
_publ_section_title
;
Determination of the Hydrogen Absorption Sites in
Zn4O(1,4-benzenedicarboxylate) by Single Crystal Neutron Diffraction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511941c
_journal_year                    2006
_chemical_formula_moiety         'C24 H12 O13 Zn4'
_chemical_formula_sum            'C24 H12 O13 Zn4'
_chemical_formula_weight         768.00
_chemical_name_common
'Hydrogen-Loaded Zn4O(1,4-Benzenedicarboxylate)'
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.8878(4)
_cell_length_b                   25.8878(4)
_cell_length_c                   25.8878(4)
_cell_measurement_temperature    300(2)
_cell_volume                     17349.4(5)
_diffrn_ambient_temperature      300(2)
_exptl_crystal_density_diffrn    0.588
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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               7100634
A novel heterocyclic atom exchange reaction with Lawessons reagent: one-pot synthesis of dithiomaltol
P.J.Farmer; D.Brayton; S.M.Cohen; F.E.Jacobsen; Chemical Communications  (2006) –; doi:10.1039/b511966a

data_7100635
_publ_section_title
;
A novel heterocyclic atom exchange reaction with
Lawessons reagent: one-pot synthesis of dithiomaltol
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511966a
_journal_year                    2006
_chemical_formula_sum            'C42 H39 B N6 O S2 Zn'
_chemical_formula_weight         784.09
_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                   21.3832(18)
_cell_length_b                   14.9241(13)
_cell_length_c                   24.177(2)
_cell_measurement_temperature    100(2)
_cell_volume                     7715.5(12)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.350
_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               7100635
Protonated N'-benzyl-N'-prolyl Proline Hydrazide as Highly Enantioselective Catalyst for Direct Asymmetric Aldol Reaction
Jian Sun; Chuanling Cheng; Fan Jiang; Chao Wang; Siyu Wei; Yun-Dong Wu; Yu Zhang; Chemical Communications  (2006) –; doi:10.1039/b511992h

data_7100636
_publ_section_title
;
Protonated N'-benzyl-N'-prolyl Proline Hydrazide as
Highly Enantioselective Catalyst for Direct Asymmetric Aldol Reaction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511992h
_journal_year                    2006
_chemical_formula_sum            'C10 H18 N4 O2'
_chemical_formula_weight         226.28
_chemical_melting_point          429.8(15)
_chemical_name_common
;
Pyrrolidine-2S-carboxylic acid N'-(pyrrolidine-2S-carbonyl)-
hydrazide
;
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.705(1)
_cell_length_b                   7.660(1)
_cell_length_c                   7.818(1)
_cell_measurement_temperature    286(2)
_cell_volume                     581.23(17)
_diffrn_ambient_temperature      286(2)
_exptl_crystal_density_diffrn    1.293
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '428.3-431.3' was changed to
'429.8(15)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        C10H18N4O2
_cod_database_code               7100636
An new isoreticular class of Metal-Organic-Frameworks with the MIL-88 topology
Christian Serre; Gerard Ferey; Caroline Mellot-Draznieks; Franck Millange; Suzy Surble; Chemical Communications  (2006) –; doi:10.1039/b512169h

data_7100637
_publ_section_title
;
An new isoreticular class of Metal-Organic-Frameworks
with the MIL-88 topology
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b512169h
_journal_year                    2006
_chemical_formula_sum            'C58 Cr6 N2 O48'
_chemical_formula_weight         1804.596
_space_group_crystal_system      hexagonal
_space_group_IT_number           190
_space_group_name_Hall           'P -6c -2c'
_space_group_name_H-M_alt        'P -6 2 c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   11.0282(10)
_cell_length_b                   11.0282(10)
_cell_length_c                   18.9717(10)
_cell_volume                     1998.2(3)
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-08
;
_cod_original_formula_sum        'Cr6 O48 C58 N2'
_cod_database_code               7100637
An new isoreticular class of Metal-Organic-Frameworks with the MIL-88 topology
Christian Serre; Gerard Ferey; Caroline Mellot-Draznieks; Franck Millange; Suzy Surble; Chemical Communications  (2006) –; doi:10.1039/b512169h

data_7100638
_publ_section_title
;
An new isoreticular class of Metal-Organic-Frameworks
with the MIL-88 topology
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b512169h
_journal_year                    2006
_chemical_formula_sum            'C84 Cr6 N56 O50'
_chemical_formula_weight         2905.245
_space_group_crystal_system      hexagonal
_space_group_IT_number           190
_space_group_name_Hall           'P -6c -2c'
_space_group_name_H-M_alt        'P -6 2 c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   12.1647(10)
_cell_length_b                   12.1647(10)
_cell_length_c                   27.1971(10)
_cell_volume                     3485.4(4)
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-08
;
_cod_original_formula_sum        'Cr6 O50 C84 N56'
_cod_database_code               7100638