LMucko/crystallography-open-database huggingface dataset:
; Chemical Communications  (2005) –; doi:10.1039/b510910h

data_7100550
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510910h
_journal_year                    2005
_chemical_formula_moiety         'C34 H28 Cl2 N2 Pd'
_chemical_formula_sum            'C34 H28 Cl2 N2 Pd'
_chemical_formula_weight         641.91
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.923(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.376(3)
_cell_length_b                   14.977(6)
_cell_length_c                   22.767(9)
_cell_measurement_temperature    193.1
_cell_volume                     2849.4(19)
_exptl_crystal_density_diffrn    1.496
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100550
; Chemical Communications  (2005) –; doi:10.1039/b510910h

data_7100551
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510910h
_journal_year                    2005
_chemical_formula_sum            'C25 H19 Cl1.5 F3 N2 O3 Pd0.5 S'
_chemical_formula_weight         590.86
_chemical_name_common            DB-DABP-Pt-DABNTf
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.3252(5)
_cell_length_b                   12.3252(5)
_cell_length_c                   33.675(3)
_cell_measurement_temperature    90
_cell_volume                     5115.6(5)
_diffrn_ambient_temperature      90
_exptl_crystal_density_diffrn    1.534
_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_original_formula_sum        'C25 H19 Cl1.50 F3 N2 O3 Pd0.50 S'
_cod_database_code               7100551
A Chiral, Heterometallic Metal-Organic Framework Derived from a Tris(Chelate) Coordination Complex
S.M. Cohen; D.L. Murphy; M.R. Malachowski; C.F. Campana; Chemical Communications  (2005) –; doi:10.1039/b510915a

data_7100552
_publ_section_title
;
A Chiral, Heterometallic Metal-Organic Framework
Derived from a Tris(Chelate) Coordination Complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510915a
_journal_year                    2005
_chemical_formula_sum            'C48 H30 Cl1.5 Co N9'
_chemical_formula_weight         844.91
_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                72.6680(10)
_cell_angle_beta                 68.7730(10)
_cell_angle_gamma                72.6340(10)
_cell_formula_units_Z            4
_cell_length_a                   14.8303(8)
_cell_length_b                   16.3535(8)
_cell_length_c                   20.0347(10)
_cell_measurement_temperature    100(2)
_cell_volume                     4223.3(4)
_diffrn_ambient_temperature      373(2)
_exptl_crystal_density_diffrn    1.329
_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_formula_sum        'C48 H30 Cl1.50 Co N9'
_cod_database_code               7100552
A Chiral, Heterometallic Metal-Organic Framework Derived from a Tris(Chelate) Coordination Complex
S.M.Cohen; D.L.Murphy; M.R.Malachowski; C.F.Campana; Chemical Communications  (2005) –; doi:10.1039/b510915a

data_7100553
_publ_section_title
;
A Chiral, Heterometallic Metal-Organic Framework
Derived from a Tris(Chelate) Coordination Complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510915a
_journal_year                    2005
_chemical_formula_sum            'C63.44 H44.44 Ag Co F3 N9 O3 S'
_chemical_formula_weight         1236.63
_space_group_IT_number           209
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 4 2 3'
_symmetry_space_group_name_H-M   'F 4 3 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            32
_cell_length_a                   34.7494(14)
_cell_length_b                   34.7494(14)
_cell_length_c                   34.7494(14)
_cell_measurement_temperature    100(2)
_cell_volume                     41961(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.566
_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               7100553
Template synthesis of tungsten complexes with saturated N-heterocyclic carbene ligands
Ekkehardt Hahn; Volker Langenhahn; Tania Pape; Chemical Communications  (2005) –; doi:10.1039/b510996e

data_7100554
_publ_section_title
;
Template synthesis of tungsten complexes with
saturated N-heterocyclic carbene ligands
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510996e
_journal_year                    2005
_chemical_formula_sum            'C8 H6 N2 O5 W'
_chemical_formula_weight         394.00
_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                94.486(3)
_cell_angle_beta                 106.524(3)
_cell_angle_gamma                100.679(3)
_cell_formula_units_Z            2
_cell_length_a                   6.6670(10)
_cell_length_b                   8.5579(12)
_cell_length_c                   10.1724(15)
_cell_measurement_temperature    153(2)
_cell_volume                     541.48(14)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    2.417
_cod_database_code               7100554
Template synthesis of tungsten complexes with saturated N-heterocyclic carbene ligands
Ekkehardt Hahn; Volker Langenhahn; Tania Pape; Chemical Communications  (2005) –; doi:10.1039/b510996e

data_7100555
_publ_section_title
;
Template synthesis of tungsten complexes with
saturated N-heterocyclic carbene ligands
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510996e
_journal_year                    2005
_chemical_formula_sum            'C14 H14 N2 O5 W'
_chemical_formula_weight         474.12
_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                 105.519(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.181(5)
_cell_length_b                   10.629(5)
_cell_length_c                   13.731(6)
_cell_measurement_temperature    153(2)
_cell_volume                     1572.3(12)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    2.003
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100555
Isolation of an intermediate in the insertion of a carbodiimide into a boron-aryl bond
Nicholas J. Hill; Jennifer A. Moore; Michael Findlater; Alan H. Cowley; Chemical Communications  (2005) –; doi:10.1039/b511080g

data_7100556
_publ_section_title
;
Isolation of an intermediate in the insertion of a
carbodiimide into a boron-aryl bond
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511080g
_journal_year                    2005
_chemical_formula_moiety         'C19 H27 B Cl2 N2'
_chemical_formula_sum            'C19 H27 B Cl2 N2'
_chemical_formula_weight         365.14
_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                 100.318(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   37.418(5)
_cell_length_b                   6.561(5)
_cell_length_c                   15.964(5)
_cell_measurement_temperature    153(2)
_cell_volume                     3856(3)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.258
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7100556
; Chemical Communications  (2005) –; doi:10.1039/b511080g

data_7100557
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511080g
_journal_year                    2005
_chemical_formula_moiety         'C19 H27 B Cl2 N2'
_chemical_formula_sum            'C19 H27 B Cl2 N2'
_chemical_formula_weight         365.14
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                73.933(5)
_cell_angle_beta                 83.657(5)
_cell_angle_gamma                80.431(5)
_cell_formula_units_Z            4
_cell_length_a                   10.355(5)
_cell_length_b                   11.914(5)
_cell_length_c                   16.592(5)
_cell_measurement_temperature    153(2)
_cell_volume                     1935.1(14)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.253
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-07
;
_cod_database_code               7100557
Synthesis, Structure, and Olefin Polymerization with Nickel(II) N-Heterocyclic Carbene Enolates
Robert Waymouth; Benjamin E. Ketz; Xavier G. Ottenwaelder; Chemical Communications  (2005) –; doi:10.1039/b511202h

data_7100558
_publ_section_title
;
Synthesis, Structure, and Olefin Polymerization with
Nickel(II) N-Heterocyclic Carbene Enolates
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511202h
_journal_year                    2005
_chemical_formula_moiety         'C31 H29 N3 Ni O'
_chemical_formula_sum            'C31 H29 N3 Ni O'
_chemical_formula_weight         518.28
_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                81.520(2)
_cell_angle_beta                 85.137(2)
_cell_angle_gamma                88.411(2)
_cell_formula_units_Z            2
_cell_length_a                   9.7416(13)
_cell_length_b                   9.9127(14)
_cell_length_c                   13.6530(19)
_cell_measurement_temperature    150
_cell_volume                     1299.1(3)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.325
_cod_database_code               7100558
; Chemical Communications  (2005) –; doi:10.1039/b511208g

data_7100559
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511208g
_journal_year                    2005
_chemical_formula_moiety         ' C40 H64 B2 O4 Si '
_chemical_formula_sum            'C40 H64 B2 O4 Si'
_chemical_formula_weight         658.62
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.6880(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5372(7)
_cell_length_b                   11.5468(6)
_cell_length_c                   28.4282(15)
_cell_measurement_temperature    150
_cell_volume                     4068.2(4)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.075
_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        ' C40 H64 B2 O4 Si '
_cod_database_code               7100559
Modular Nanometer-Scale Structuring of Gel Fibres by Sequential Self-Organization
Jonathan Steed; Lucas Applegarth; Nigel Clark; Andres E. Goeta; Judith A.K. Howard; Andrew D.M. Parker; Ivana Radosavljevic-Evans; Christine Richardson; Chemical Communications  (2005) –; doi:10.1039/b511259a

data_7100560
_publ_section_title
;
Modular Nanometer-Scale Structuring of Gel Fibres by
Sequential Self-Organization
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511259a
_journal_year                    2005
_chemical_formula_moiety         'C28 H26 Ag1 Cl3 N8 O5.74'
_chemical_formula_sum            'C28 H26 Ag Cl3 N8 O5.74'
_chemical_formula_weight         780.66
_space_group_IT_number           31
_space_group_name_Hall           'P 2ac -2'
_space_group_name_H-M_alt        'P m n 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   43.826(4)
_cell_length_b                   5.2608(5)
_cell_length_c                   14.0960(14)
_cell_measurement_temperature    120
_cell_volume                     3250.0(5)
_diffrn_ambient_temperature      120
_exptl_crystal_density_diffrn    1.595
_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_original_formula_sum        'C28 H26 Ag1 Cl3 N8 O5.74'
_cod_database_code               7100560
Modular Nanometer-Scale Structuring of Gel Fibres by Sequential Self-Organization
Jonathan Steed; Lucas Applegarth; Nigel Clark; Andres E. Goeta; Judith A.K. Howard; Andrew D.M. Parker; Ivana Radosavljevic-Evans; Christine Richardson; Chemical Communications  (2005) –; doi:10.1039/b511259a

data_7100561
_publ_section_title
;
Modular Nanometer-Scale Structuring of Gel Fibres by
Sequential Self-Organization
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511259a
_journal_year                    2005
_chemical_formula_sum            'C36 H56 Co N14 O16'
_chemical_formula_weight         999.88
_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                74.1670(10)
_cell_angle_beta                 71.2920(10)
_cell_angle_gamma                80.3580(10)
_cell_formula_units_Z            1
_cell_length_a                   9.3380(6)
_cell_length_b                   11.3324(7)
_cell_length_c                   11.4099(7)
_cell_measurement_temperature    120(2)
_cell_volume                     1095.99(12)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.515
_cod_database_code               7100561
Regioselective C-H activation of lanthanide-bound N-heterocyclic carbenes
Polly Arnold; Stephen T. Liddle; Chemical Communications  (2005) –; doi:10.1039/b511265f

data_7100562
_publ_section_title
;
Regioselective C-H activation of lanthanide-bound
N-heterocyclic carbenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511265f
_journal_year                    2005
_chemical_formula_moiety         'C25 H60 N5 Nd Si4'
_chemical_formula_sum            'C25 H60 N5 Nd Si4'
_chemical_formula_weight         687.38
_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                 102.709(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.1289(12)
_cell_length_b                   11.6659(8)
_cell_length_c                   17.7378(12)
_cell_measurement_temperature    150(2)
_cell_volume                     3659.5(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.248
_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               7100562
Regioselective C-H activation of lanthanide-bound N-heterocyclic carbenes
Polly Arnold; Stephen T. Liddle; Chemical Communications  (2005) –; doi:10.1039/b511265f

data_7100563
_publ_section_title
;
Regioselective C-H activation of lanthanide-bound
N-heterocyclic carbenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511265f
_journal_year                    2005
_chemical_formula_moiety         'C47.50 H104 I2 N8 Nd2 Si6'
_chemical_formula_sum            'C47.5 H104 I2 N8 Nd2 Si6'
_chemical_formula_weight         1498.21
_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                63.675(3)
_cell_angle_beta                 70.505(3)
_cell_angle_gamma                74.060(3)
_cell_formula_units_Z            1
_cell_length_a                   11.280(2)
_cell_length_b                   14.204(3)
_cell_length_c                   14.632(3)
_cell_measurement_temperature    150(2)
_cell_volume                     1958.5(6)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.270
_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_formula_sum        'C47.50 H104 I2 N8 Nd2 Si6'
_cod_database_code               7100563
Regioselective C-H activation of lanthanide-bound N-heterocyclic carbenes
Polly Arnold; Stephen T. Liddle; Chemical Communications  (2005) –; doi:10.1039/b511265f

data_7100564
_publ_section_title
;
Regioselective C-H activation of lanthanide-bound
N-heterocyclic carbenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511265f
_journal_year                    2005
_chemical_formula_moiety         'C28 H68 N5 Nd Si5'
_chemical_formula_sum            'C28 H68 N5 Nd Si5'
_chemical_formula_weight         759.56
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.306(2)
_cell_angle_beta                 97.810(2)
_cell_angle_gamma                104.318(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9100(10)
_cell_length_b                   12.3766(11)
_cell_length_c                   17.1729(16)
_cell_measurement_temperature    150(2)
_cell_volume                     2074.8(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.216
_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               7100564
Regioselective C-H activation of lanthanide-bound N-heterocyclic carbenes
Polly Arnold; Stephen T. Liddle; Chemical Communications  (2005) –; doi:10.1039/b511265f

data_7100565
_publ_section_title
;
Regioselective C-H activation of lanthanide-bound
N-heterocyclic carbenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b511265f
_journal_year                    2005
_chemical_formula_moiety         'C58 H116 Ce2 I2 N8 Si6'
_chemical_formula_sum            'C58 H116 Ce2 I2 N8 Si6'
_chemical_formula_weight         1628.17
_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                 95.838(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.7912(12)
_cell_length_b                   14.8947(15)
_cell_length_c                   22.118(2)
_cell_measurement_temperature    150(2)
_cell_volume                     3864.4(7)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.399
_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               7100565