LMucko/crystallography-open-database huggingface dataset:
Conformational Polymorphism of Methacrylamide
Bruce Foxman; Volker Enkelmann; Evan R. Guggenheim; Chengyun Guo; Magali B. Hickey; Chemical Communications  (2005) –; doi:10.1039/b418869a

data_7100390
_publ_section_title
;
Conformational Polymorphism of Methacrylamide
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418869a
_journal_year                    2005
_chemical_formula_moiety         'C4 H7 N1 O1'
_chemical_formula_sum            'C4 H7 N O'
_chemical_formula_weight         85.11
_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                 113.1620(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0920(5)
_cell_length_b                   6.0470(4)
_cell_length_c                   9.4610(5)
_cell_measurement_temperature    120
_cell_volume                     478.23(5)
_diffrn_ambient_temperature      120
_exptl_crystal_density_diffrn    1.182
_oxford_refine_ls_scale          8.4(5)
_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        'C4 H7 N1 O1'
_cod_database_code               7100390
; Chemical Communications  (2005) –; doi:10.1039/b418869a

data_7100391
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418869a
_journal_year                    2005
_chemical_formula_moiety         'C4 H7 N1 O1'
_chemical_formula_sum            'C4 H7 N O'
_chemical_formula_weight         85.11
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.934(7)
_cell_length_b                   10.242(5)
_cell_length_c                   16.436(3)
_cell_measurement_temperature    294
_cell_volume                     998.9(13)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    1.132
_oxford_refine_ls_scale          1.41(3)
_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        'C4 H7 N1 O1'
_cod_database_code               7100391
; Chemical Communications  (2005) –; doi:10.1039/b418869a

data_7100392
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418869a
_journal_year                    2005
_chemical_formula_moiety         'C4 H7 N1 O1'
_chemical_formula_sum            'C4 H7 N O'
_chemical_formula_weight         85.11
_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                 115.30(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3652(17)
_cell_length_b                   6.0863(15)
_cell_length_c                   9.743(3)
_cell_measurement_temperature    294
_cell_volume                     502.1(2)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    1.126
_oxford_refine_ls_scale          3.10(12)
_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        'C4 H7 N1 O1'
_cod_database_code               7100392
; Chemical Communications  (2005) –; doi:10.1039/b418869a

data_7100393
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418869a
_journal_year                    2005
_chemical_formula_moiety         'C4 H7 N1 O1'
_chemical_formula_sum            'C4 H7 N O'
_chemical_formula_weight         85.11
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.7200(4)
_cell_length_b                   10.1600(5)
_cell_length_c                   16.2410(7)
_cell_measurement_temperature    120
_cell_volume                     943.85(9)
_diffrn_ambient_temperature      120
_exptl_crystal_density_diffrn    1.198
_oxford_refine_ls_scale          3.85(16)
_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        'C4 H7 N1 O1'
_cod_database_code               7100393
Unprecedented Reversible Coupling of Alkynyl and Phosphide ligands on a Dinuclear Platinum Framework
A. Albinati; Valeria Filippi; Piero Leoni; Lorella Marchetti; Marco Pasquali; V. Passarelli; Chemical Communications  (2005) –; doi:10.1039/b418893d

data_7100394
_publ_section_title
;
Unprecedented Reversible Coupling of Alkynyl and
Phosphide ligands on a Dinuclear Platinum Framework
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418893d
_journal_year                    2005
_chemical_formula_moiety         3.THF
_chemical_formula_sum            'C37 H57 Br O2 P2 Pt2'
_chemical_formula_weight         1065.86
_chemical_name_common
;
(Pt2(mu&#x0096;P(tBu)2)(mu,eta1,eta2&#x0096;C(Ph)CH2)(C=C&#x0096;Ph)(CO)(PtBu2H
)(Br))
;
_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                 104.380(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.9215(2)
_cell_length_b                   11.2562(2)
_cell_length_c                   22.8096(3)
_cell_measurement_temperature    200(2)
_cell_volume                     3959.8(1)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.788
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100394
Unprecedented Reversible Coupling of Alkynyl and Phosphide ligands on a Dinuclear Platinum Framework
A. Albinati; Valeria Filippi; Piero Leoni; Lorella Marchetti; Marco Pasquali; V. Passarelli; Chemical Communications  (2005) –; doi:10.1039/b418893d

data_7100395
_publ_section_title
;
Unprecedented Reversible Coupling of Alkynyl and
Phosphide ligands on a Dinuclear Platinum Framework
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418893d
_journal_year                    2005
_chemical_formula_moiety         4[PF6].TME
_chemical_formula_sum            'C37 H59 F6 O3 P3 Pt2'
_chemical_formula_weight         1148.93
_chemical_name_common
;
(Pt2(mu&#x0096;kappaP:eta2-
P(tBu)2&#x0096;CC&#x0096;Ph)(mu,eta2&#x0096;C(Ph)CH2)(CO)(P(tBu)2H))(PF6)
;
_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                   16.7547(1)
_cell_length_b                   20.0887(1)
_cell_length_c                   25.9733(3)
_cell_measurement_temperature    200(2)
_cell_volume                     8742.1(1)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.746
_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               7100395
Reactivity of a 1:1 Copper-Oxygen Complex: Isolation of a Cu(II)-o-Iminosemiquinonato Species
William Tolman; Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds; Chemical Communications  (2005) –; doi:10.1039/b418939f

data_7100396
_publ_section_title
;
Reactivity of a 1:1 Copper-Oxygen Complex: Isolation
of a Cu(II)-o-Iminosemiquinonato Species
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418939f
_journal_year                    2005
_chemical_formula_moiety         'C44 H52 Cu N4 O, C F3 O3 S, C4 H8 O'
_chemical_formula_sum            'C49 H60 Cu F3 N4 O5 S'
_chemical_formula_weight         937.61
_chemical_name_common            02198
_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                 92.711(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.967(3)
_cell_length_b                   13.6607(12)
_cell_length_c                   23.462(2)
_cell_measurement_temperature    173(2)
_cell_volume                     9593.9(15)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.298
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7100396
Reactivity of a 1:1 Copper-Oxygen Complex: Isolation of a Cu(II)-o-Iminosemiquinonato Species
William Tolman; Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds; Chemical Communications  (2005) –; doi:10.1039/b418939f

data_7100397
_publ_section_title
;
Reactivity of a 1:1 Copper-Oxygen Complex: Isolation
of a Cu(II)-o-Iminosemiquinonato Species
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418939f
_journal_year                    2005
_chemical_formula_moiety         'C42 H54 Cu N2 P'
_chemical_formula_sum            'C42 H54 Cu N2 P'
_chemical_formula_weight         681.38
_chemical_name_common            (Me2LiPr2)Cu(PMePh2)
_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                 97.837(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6105(10)
_cell_length_b                   21.0202(12)
_cell_length_c                   15.9832(9)
_cell_measurement_temperature    173(2)
_cell_volume                     3864(1)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.171
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100397
Reactivity of a 1:1 Copper-Oxygen Complex: Isolation of a Cu(II)-o-Iminosemiquinonato Species
William Tolman; Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds; Chemical Communications  (2005) –; doi:10.1039/b418939f

data_7100398
_publ_section_title
;
Reactivity of a 1:1 Copper-Oxygen Complex: Isolation
of a Cu(II)-o-Iminosemiquinonato Species
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418939f
_journal_year                    2005
_chemical_formula_moiety         'C47 H56 Cu N2 P'
_chemical_formula_sum            'C47 H56 Cu N2 P'
_chemical_formula_weight         743.45
_chemical_name_common            Me2LiPr2CuPPh3
_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                 111.850(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.439(2)
_cell_length_b                   15.9011(15)
_cell_length_c                   24.217(2)
_cell_measurement_temperature    173(2)
_cell_volume                     8377.2(14)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.179
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100398
A supramolecular assembly of side-by-side polyimidazole tripod coils stabilized by ð-ð stacking and unique boric acid templated hydrogen bonding interactions
Robert Buchanan; Lionel E. Cheruzel; Mark S. Mashuta; Chemical Communications  (2005) –; doi:10.1039/b419040h

data_7100399
_publ_section_title
;
A supramolecular assembly of side-by-side polyimidazole
tripod coils stabilized by &#x00F0;-&#x00F0; stacking and unique boric acid 
templated
hydrogen bonding interactions
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b419040h
_journal_year                    2005
_chemical_formula_sum            'C30 H43 B N16 O7'
_chemical_formula_weight         750.61
_chemical_name_common
;
bis((1-methylimidazol-2-yl)methyl)(1-methyl-4-nitro -imidazol-
2-yl)methyl)amine boric acid
;
_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                 92.861(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.7997(18)
_cell_length_b                   8.2540(9)
_cell_length_c                   27.530(3)
_cell_measurement_temperature    100(2)
_cell_volume                     3585.7(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.390
_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               7100399
Influence of Hydrogen Bonding on Coordination Polymer Assembly
Jonathan Steed; Lucas Applegarth; Andres Goeta; Chemical Communications  (2005) –; doi:10.1039/b419216h

data_7100400
_publ_section_title
;
Influence of Hydrogen Bonding on Coordination Polymer Assembly
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b419216h
_journal_year                    2005
_chemical_formula_sum            'C22 H34 Ag N7 O7 S2'
_chemical_formula_weight         680.55
_chemical_name_common            04srv365
_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                 105.3550(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9266(5)
_cell_length_b                   13.3289(5)
_cell_length_c                   16.5474(7)
_cell_measurement_temperature    120(2)
_cell_volume                     2749.30(19)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.644
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100400
Influence of Hydrogen Bonding on Coordination Polymer Assembly
Jonathan Steed; Lucas Applegarth; Andres Goeta; Chemical Communications  (2005) –; doi:10.1039/b419216h

data_7100401
_publ_section_title
;
Influence of Hydrogen Bonding on Coordination Polymer Assembly
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b419216h
_journal_year                    2005
_chemical_formula_sum            'C18 H28 Ag N7 O8'
_chemical_formula_weight         578.34
_chemical_name_common            04srv384
_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                110.4250(10)
_cell_angle_beta                 95.5680(10)
_cell_angle_gamma                102.5200(10)
_cell_formula_units_Z            2
_cell_length_a                   9.4135(7)
_cell_length_b                   10.9132(9)
_cell_length_c                   12.3810(10)
_cell_measurement_temperature    120(2)
_cell_volume                     1142.69(16)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.681
_cod_database_code               7100401
T. Hanamoto; Y. Koga; E. Kido; T. Kawanami; H. Furuno; J. Inanaga; Chemical Communications  (2005) –; doi:10.1039/b419329f

data_7100402
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b419329f
_journal_year                    2005
_chemical_formula_moiety         'C11 H9 F N2 O, H2 O'
_chemical_formula_sum            'C11 H11 F N2 O2'
_chemical_formula_weight         222.22
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.62(7)
_cell_angle_beta                 73.46(7)
_cell_angle_gamma                82.32(7)
_cell_formula_units_Z            4
_cell_length_a                   8.329(15)
_cell_length_b                   11.137(17)
_cell_length_c                   11.87(3)
_cell_measurement_temperature    93(2)
_cell_volume                     1024(3)
_diffrn_ambient_temperature      93(2)
_exptl_crystal_density_diffrn    1.441
_cod_database_code               7100402
A 2D honeycomb-shaped network based on a starburst cluster:[Ag4(Cl)(PPh2(CH2)2PPh2)1.5{S2P(OR)2}3](R = Et, iPr)
Chen-Wei Liu; Ben-Jie Liaw; Lin-Shou Liou; Ju-Chun Wang; Chemical Communications  (2005) –; doi:10.1039/b419474h

data_7100403
_publ_section_title
;
A 2D honeycomb-shaped network based on a starburst
cluster:[Ag4(Cl)(PPh2(CH2)2PPh2)1.5{S2P(OR)2}3](R = Et, iPr)
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b419474h
_journal_year                    2005
_chemical_formula_sum            'C30 H34 Ag O2 P3 S2'
_chemical_formula_weight         691.47
_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                61.926(3)
_cell_angle_beta                 77.409(3)
_cell_angle_gamma                68.296(3)
_cell_formula_units_Z            2
_cell_length_a                   11.954(2)
_cell_length_b                   12.985(2)
_cell_length_c                   13.116(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1666.5(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.378
_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               7100403
A 2D honeycomb-shaped network based on a starburst cluster:[Ag4(Cl)(PPh2(CH2)2PPh2)1.5{S2P(OR)2}3](R = Et, iPr)
Chen-Wei Liu; Ben-Jie Liaw; Lin-Shou Liou; Ju-Chun Wang; Chemical Communications  (2005) –; doi:10.1039/b419474h

data_7100404
_publ_section_title
;
A 2D honeycomb-shaped network based on a starburst
cluster:[Ag4(Cl)(PPh2(CH2)2PPh2)1.5{S2P(OR)2}3](R = Et, iPr)
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b419474h
_journal_year                    2005
_chemical_formula_sum            'C51 H66 Ag4 Cl O6 P6 S6'
_chemical_formula_weight         1620.15
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   19.7782(16)
_cell_length_b                   19.7782(16)
_cell_length_c                   32.244(4)
_cell_measurement_temperature    293(2)
_cell_volume                     10923.2(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.478
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7100404
A 2D honeycomb-shaped network based on a starburst cluster:[Ag4(Cl)(PPh2(CH2)2PPh2)1.5{S2P(OR)2}3](R = Et, iPr)
Chen-Wei Liu; Ben-Jie Liaw; Lin-Shou Liou; Ju-Chun Wang; Chemical Communications  (2005) –; doi:10.1039/b419474h

data_7100405
_publ_section_title
;
A 2D honeycomb-shaped network based on a starburst
cluster:[Ag4(Cl)(PPh2(CH2)2PPh2)1.5{S2P(OR)2}3](R = Et, iPr)
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b419474h
_journal_year                    2005
_chemical_formula_sum            'C57 H78 Ag4 Cl O6 P6 S6'
_chemical_formula_weight         1704.30
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   19.8652(17)
_cell_length_b                   19.8652(17)
_cell_length_c                   33.169(4)
_cell_measurement_temperature    298(2)
_cell_volume                     11336(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.498
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7100405