LMucko/crystallography-open-database huggingface dataset:
Ring-Opening Polymerisation of Coordination Compounds: A Silver(I) Network with Both Ring and Polymer Components
R. Puddephatt; Michael C. Jennings; Nancy Yue; Chemical Communications  (2005) –; doi:10.1039/b510080a

data_7100295
_publ_section_title
;
Ring-Opening Polymerisation of Coordination Compounds:
A Silver(I) Network with Both Ring and Polymer Components
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510080a
_journal_year                    2005
_chemical_formula_sum            'C44 H46 Ag2 B2 Cl4 F8 N10 O5'
_chemical_formula_weight         1326.07
_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                 103.229(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.0047(7)
_cell_length_b                   15.8034(8)
_cell_length_c                   12.9509(5)
_cell_measurement_temperature    150(2)
_cell_volume                     2591.0(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.700
_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               7100295
Ring-Opening Polymerisation of Coordination Compounds: A Silver(I) Network with Both Ring and Polymer Components
R. Puddephatt; Michael C. Jennings; Nancy Yue; Chemical Communications  (2005) –; doi:10.1039/b510080a

data_7100296
_publ_section_title
;
Ring-Opening Polymerisation of Coordination Compounds:
A Silver(I) Network with Both Ring and Polymer Components
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510080a
_journal_year                    2005
_chemical_formula_sum            'C97 H98 Ag6 F18 N20 O31 S6'
_chemical_formula_weight         3221.53
_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                 97.1210(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.0395(4)
_cell_length_b                   14.8168(3)
_cell_length_c                   42.3734(6)
_cell_measurement_temperature    150(2)
_cell_volume                     14976.5(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.429
_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               7100296
Synthesis, structure and magnetic properties of a decametallic Ni single-molecule magnet
Euan Brechin; Guillem Aromi; E. McInnes; S. Parsons; Wolfgang Wernsdorfer; Chemical Communications  (2005) –; doi:10.1039/b510097f

data_7100297
_publ_section_title
;
Synthesis, structure and magnetic properties of a
decametallic Ni single-molecule magnet
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510097f
_journal_year                    2005
_chemical_formula_moiety
'[Ni10(acac)6(N3)10(tmp)(OMe)(MeOH)5(H2O)].H2O.MeOH'
_chemical_formula_sum            'C43 H84 N30 Ni10 O24'
_chemical_formula_weight         1992.50
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.851(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.8253(6)
_cell_length_b                   14.5088(8)
_cell_length_c                   24.9691(13)
_cell_measurement_temperature    150(2)
_cell_volume                     3919.7(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.688
_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               7100297
Slow Relaxation of Magnetisation in an Octanuclear Cobalt(II) Phosphonate Cage Complex
R. Winpenny; Madeleine Helliwell; Stuart Langley; Patrick Rosa; Roberta Sessoli; W.Wernsdorfer; Chemical Communications  (2005) –; doi:10.1039/b510106a

data_7100298
_publ_section_title
;
Slow Relaxation of Magnetisation in an Octanuclear
Cobalt(II) Phosphonate Cage Complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510106a
_journal_year                    2005
_chemical_formula_sum            'C82 H69 Cl20 Co8 N16 O27 P2'
_chemical_formula_weight         2952.91
_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                90.00
_cell_angle_beta                 104.703(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.551(2)
_cell_length_b                   21.853(2)
_cell_length_c                   25.909(3)
_cell_measurement_temperature    100(2)
_cell_volume                     11255(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.743
_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               7100298
Synthesis and Characterization of Side-Bound Aryldiazo and End-Bound Nitrosyl Complexes of Nickel
V.M. Iluc; G.L. Hillhouse; A.J.M. Miller; Chemical Communications  (2005) –; doi:10.1039/b510131j

data_7100299
_publ_section_title
;
Synthesis and Characterization of Side-Bound Aryldiazo
and End-Bound Nitrosyl Complexes of Nickel
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510131j
_journal_year                    2005
_chemical_formula_moiety         'C25 H47 F6 N2 Ni O1 P3, C2 O0.5'
_chemical_formula_sum            'C27 H47 F6 N2 Ni O1.5 P3'
_chemical_formula_weight         689.29
_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                88.4960(10)
_cell_angle_beta                 75.1410(10)
_cell_angle_gamma                79.4050(10)
_cell_formula_units_Z            2
_cell_length_a                   10.6973(9)
_cell_length_b                   12.4144(10)
_cell_length_c                   13.2900(11)
_cell_measurement_temperature    100(2)
_cell_volume                     1676.4(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.366
_cod_original_formula_sum        'C27 H47 F6 N2 Ni O1.50 P3'
_cod_database_code               7100299
Synthesis and Characterization of Side-Bound Aryldiazo and End-Bound Nitrosyl Complexes of Nickel
V.M. Iluc; G.L. Hillhouse; A.J.M. Miller; Chemical Communications  (2005) –; doi:10.1039/b510131j

data_7100300
_publ_section_title
;
Synthesis and Characterization of Side-Bound Aryldiazo
and End-Bound Nitrosyl Complexes of Nickel
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510131j
_journal_year                    2005
_chemical_formula_sum            'C106 H109 B2 Cl F48 N2 Ni2 O2 P4'
_chemical_formula_weight         2653.32
_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                 93.651(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.385(16)
_cell_length_b                   35.42(3)
_cell_length_c                   18.986(17)
_cell_measurement_temperature    100(2)
_cell_volume                     11668(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.510
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100300
Stereospecific change in conformation upon complexation of an exoditopic tetraamide host with a bis(ammonium) guest: chiral recognition and strong CD signaling
R. Katoono; H. Kawai; K. Fujiwara; T. Suzuki; Chemical Communications  (2005) –; doi:10.1039/b510134d

data_7100301
_publ_section_title
;
Stereospecific change in conformation upon
complexation of an exoditopic tetraamide host with a bis(ammonium)
guest: chiral recognition and strong CD signaling
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510134d
_journal_year                    2005
_chemical_formula_moiety         'C76 H68 N4 O4 '
_chemical_formula_sum            'C76 H68 N4 O4'
_chemical_formula_weight         1101.40
_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                90.0000
_cell_angle_beta                 90.193(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   18.788(4)
_cell_length_b                   8.9758(19)
_cell_length_c                   18.881(4)
_cell_measurement_temperature    153.1
_cell_volume                     3184.0(12)
_exptl_crystal_density_diffrn    1.149
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C76 H68 N4 O4 '
_cod_database_code               7100301
; Chemical Communications  (2005) –; doi:10.1039/b510134d

data_7100302
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510134d
_journal_year                    2005
_chemical_formula_moiety         'C88 H92 N4 O8 '
_chemical_formula_sum            'C88 H92 N4 O8'
_chemical_formula_weight         1333.72
_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                90.0000
_cell_angle_beta                 111.546(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   33.738(7)
_cell_length_b                   8.9572(17)
_cell_length_c                   27.599(6)
_cell_measurement_temperature    153.1
_cell_volume                     7758(3)
_exptl_crystal_density_diffrn    1.142
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C88 H92 N4 O8 '
_cod_database_code               7100302
Cationic and Zwitterionic Bidentate Relatives of Crabtree's Hydrogenation Catalyst
Mark Stradiotto; Judy Cipot; Robert McDonald; Chemical Communications  (2005) –; doi:10.1039/b510253g

data_7100303
_publ_section_title
;
Cationic and Zwitterionic Bidentate Relatives of Crabtree's
Hydrogenation Catalyst
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510253g
_journal_year                    2005
_chemical_formula_moiety         'C25 H38 Ir N P, C F3 O3 S'
_chemical_formula_sum            'C26 H38 F3 Ir N O3 P S'
_chemical_formula_weight         724.80
_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                 103.5748(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9608(6)
_cell_length_b                   20.2706(12)
_cell_length_c                   14.0988(9)
_cell_measurement_temperature    193(2)
_cell_volume                     2767.2(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.740
_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               7100303
Cationic and Zwitterionic Bidentate Relatives of Crabtree's Hydrogenation Catalyst
Mark Stradiotto; Judy Cipot; Robert McDonald; Chemical Communications  (2005) –; doi:10.1039/b510253g

data_7100304
_publ_section_title
;
Cationic and Zwitterionic Bidentate Relatives of Crabtree's
Hydrogenation Catalyst
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510253g
_journal_year                    2005
_chemical_formula_moiety         'C25 H37 Ir N P'
_chemical_formula_sum            'C25 H37 Ir N P'
_chemical_formula_weight         574.73
_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                 109.4177(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6714(5)
_cell_length_b                   16.9783(9)
_cell_length_c                   14.5080(7)
_cell_measurement_temperature    193(2)
_cell_volume                     2246.8(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.699
_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               7100304
New mono and bis-carbene samarium complexes: Synthesis, X-Ray structure and reactivity.
T.Cantat; F.Jaroschik; N.Mezailles; F.Nief; L.Ricard; P. Le Floch; Chemical Communications  (2005) –; doi:10.1039/b510327d

data_7100305
_publ_section_title
;
New mono and bis-carbene samarium complexes: Synthesis,
X-Ray structure and reactivity.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510327d
_journal_year                    2005
_chemical_formula_sum            'C94 H106 I2 O4 P4 S4 Sm2'
_chemical_formula_weight         2106.41
_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                 128.1740(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.3380(10)
_cell_length_b                   27.1900(10)
_cell_length_c                   18.1090(10)
_cell_measurement_temperature    150.0(1)
_cell_volume                     9033.7(7)
_diffrn_ambient_temperature      150.0(1)
_exptl_crystal_density_diffrn    1.549
_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 2/c'
_cod_database_code               7100305
; Chemical Communications  (2005) –; doi:10.1039/b510327d

data_7100306
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510327d
_journal_year                    2005
_chemical_formula_sum            'C66 H72 Li O4 P4 S4 Sm'
_chemical_formula_weight         1338.65
_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                77.918(10)
_cell_angle_beta                 88.901(12)
_cell_angle_gamma                61.756(11)
_cell_formula_units_Z            2
_cell_length_a                   14.969(3)
_cell_length_b                   15.159(2)
_cell_length_c                   16.2692(16)
_cell_measurement_temperature    150.0(1)
_cell_volume                     3166.6(8)
_diffrn_ambient_temperature      150.0(1)
_exptl_crystal_density_diffrn    1.404
_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               7100306
; Chemical Communications  (2005) –; doi:10.1039/b510327d

data_7100307
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510327d
_journal_year                    2005
_chemical_formula_sum            'C38 H30 P2 S2'
_chemical_formula_weight         612.68
_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                 100.167(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7650(10)
_cell_length_b                   18.7960(10)
_cell_length_c                   19.3020(10)
_cell_measurement_temperature    150.0(1)
_cell_volume                     3130.0(4)
_diffrn_ambient_temperature      150.0(1)
_exptl_crystal_density_diffrn    1.300
_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               7100307
; Chemical Communications  (2005) –; doi:10.1039/b510327d

data_7100308
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510327d
_journal_year                    2005
_chemical_formula_sum            'C80 H68 Li O3 P4 S4 Sm'
_chemical_formula_weight         1486.80
_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                 108.1840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.1140(10)
_cell_length_b                   11.6210(10)
_cell_length_c                   29.9670(10)
_cell_measurement_temperature    150.0(1)
_cell_volume                     6654.8(7)
_diffrn_ambient_temperature      150.0(1)
_exptl_crystal_density_diffrn    1.484
_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 2/c'
_cod_database_code               7100308
Formation of Ga2Te2 and M3Te3 (M = Ga, In) rings from reactions of sodium ditelluroimidodiphosphinate with group 13 halides
T. Chivers; May Copsey; Chemical Communications  (2005) –; doi:10.1039/b510342h

data_7100309
_publ_section_title
;
Formation of Ga2Te2 and M3Te3 (M = Ga, In) rings from
reactions of sodium ditelluroimidodiphosphinate with group 13 halides
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b510342h
_journal_year                    2005
_chemical_formula_moiety         'C24 H56 Ga2 N2 P4 Te4, 2(C4 H8 O)'
_chemical_formula_sum            'C32 H72 Ga2 N2 O2 P4 Te4'
_chemical_formula_weight         1290.64
_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                 94.42(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.478(3)
_cell_length_b                   8.4926(17)
_cell_length_c                   21.060(4)
_cell_measurement_temperature    173(2)
_cell_volume                     2403.4(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.783
_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               7100309