LMucko/crystallography-open-database huggingface dataset:
An unprecedented process involving a normal and redox transmetallation reactions between Hg and Pt, affording the unexpected K[PtIV2(CH2C(O)Me)6(mu-Cl)3] complex. The key role of X-ray powder diffraction in unravelling its nature and structure.
J. Vicente; A. Arcas; J.M. Fernandez-Hernandez; A. Sironi; Chemical Communications  (2005) –; doi:10.1039/b416261g

data_7100850
_publ_section_title
;
An unprecedented process involving a normal and redox transmetallation
reactions between Hg and Pt, affording the unexpected
K[PtIV2(CH2C(O)Me)6(mu-Cl)3] complex. The key role of X-ray powder diffraction
in unravelling its nature and structure.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416261g
_journal_year                    2005
_chemical_formula_iupac          'K [Pt2 (CH2C(O)CH3)6 Cl 3]'
_chemical_formula_moiety         'H30 C18 O6 Cl3 Pt2, K'
_chemical_formula_structural     'K [Pt2 (CH2C(O)CH3)6 Cl 3]'
_chemical_formula_sum            'C18 H30 Cl3 K O6 Pt2'
_chemical_formula_weight         878.04
_chemical_name_common
'tricloro-hexaacetonyl-bisplatinum(iv) potassium salt'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.47294(22)
_cell_length_b                   9.47294(22)
_cell_length_c                   17.57073(51)
_cell_measurement_temperature    295
_cell_volume                     1365.495(74)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    2.135
_pd_proc_ls_prof_R_factor        0.085
_pd_proc_ls_prof_wR_expected     0.043
_pd_proc_ls_prof_wR_factor       0.111
_cod_original_formula_sum        'H30 C18 O6 K Cl3 Pt2'
_cod_database_code               7100850
Asymmetric alkylation of dimethoxyphosphoryl-N-[1-(S)-alfa-methylbenzyl)acetamide enolates. Synthesis of both stereoisomers from the same source of chirality changing the equivalents of LDA
Mario Ordonez; Carlos Cativiela; Eugenio Hernandez-Fernandez; Janet Xahuentitla; Chemical Communications  (2005) –; doi:10.1039/b416616g

data_7100851
_publ_section_title
;
Asymmetric alkylation of
dimethoxyphosphoryl-N-[1-(S)-alfa-methylbenzyl)acetamide enolates.
Synthesis of both stereoisomers from the same source of chirality changing the
equivalents of LDA
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416616g
_journal_year                    2005
_chemical_formula_sum            'C20 H26 N O4 P'
_chemical_formula_weight         375.39
_space_group_IT_number           144
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   11.172(4)
_cell_length_b                   11.172(4)
_cell_length_c                   13.401(7)
_cell_measurement_temperature    100(2)
_cell_volume                     1448.4(10)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.291
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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               7100851
The first 4,1,10MC2B10 supraicosahedral metallacarboranes and a route to previuosly inaccessible 4,1,12 ruthenium arene species
D. Ellis; E. Lopez; R. McIntosh; G.M. Rosair; A.J. Welch; R. Quenardelle; Chemical Communications  (2005) –; doi:10.1039/b416646a

data_7100852
_publ_section_title
;
The first 4,1,10MC2B10 supraicosahedral metallacarboranes and a  route
to previuosly inaccessible 4,1,12 ruthenium arene species
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b416646a
_journal_year                    2005
_chemical_formula_sum            'C7 H17 B10 Co'
_chemical_formula_weight         268.24
_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                 90.127(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   11.026(3)
_cell_length_b                   21.411(7)
_cell_length_c                   15.908(5)
_cell_measurement_temperature    160(2)
_cell_volume                     3756(2)
_diffrn_ambient_temperature      160(2)
_exptl_crystal_density_diffrn    1.423
_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               7100852
Mutual structure-directing effects of a non-interpenetrated square grid coordination polymer and its complementary complex anion net
George Shimizu; Leslie J. May; Chemical Communications  (2005) –; doi:10.1039/b417095d

data_7100853
_publ_section_title
;
Mutual structure-directing effects of a
non-interpenetrated square grid coordination polymer and its
complementary complex anion net
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417095d
_journal_year                    2005
_chemical_formula_sum            'C44 H42 Cu2 N8 O16 S4'
_chemical_formula_weight         1194.18
_chemical_name_common
;
(aquo-(1,2-bis 4-pyridylethane)copper(ii))
(bis(aquo)tetrakis(4-sulfonatopyridine)copper(ii)
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 107.4650(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.0227(3)
_cell_length_b                   15.7828(5)
_cell_length_c                   13.2204(5)
_cell_measurement_temperature    173(2)
_cell_volume                     2591.99(14)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.530
_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'
_cod_database_code               7100853
Inclusion of C60 into an adjustable porphyrin dimer generated by dynamic disulfide chemistry
Jeremy K. M. Sanders; Thibaut Jarrosson; Amy L. Kieran; Sofia Ioana Pascu; Chemical Communications  (2005) –; doi:10.1039/b417951j

data_7100854
_publ_section_title
;
Inclusion of C60 into an adjustable porphyrin dimer
generated by dynamic disulfide chemistry
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417951j
_journal_year                    2005
_chemical_formula_moiety         ' C128 H168 N8 O4 S4, C60 '
_chemical_formula_sum            'C188 H168 N8 O4 S4'
_chemical_formula_weight         2731.72
_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                 90.746(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.3893(19)
_cell_length_b                   29.840(3)
_cell_length_c                   23.181(2)
_cell_measurement_temperature    150
_cell_volume                     14103(2)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.287
_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        ' C188 H168 N8 O4 S4 '
_cod_database_code               7100854
Impact of a Conformationally Restricted Receptor on the BF2 Chelated Azadipyrromethene Fluorosensing Platform
O. Donal; John Killoran; Chemical Communications  (2006) –; doi:10.1039/b513878g

data_7100855
_publ_section_title
;
Impact of a Conformationally Restricted Receptor on
the BF2 Chelated Azadipyrromethene Fluorosensing Platform
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b513878g
_journal_year                    2006
_chemical_formula_sum            'C36 H31 B F2 N4'
_chemical_formula_weight         568.46
_chemical_name_common
;
BF2 chelated (3,5-Diphenyl-1H-pyrrol-2-yl)-(3-(4-
dimethylamino-2,6 -dimethylphenyl)-5-phenylpyrrol-2-ylidene)-amine
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.405(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   42.555(7)
_cell_length_b                   5.3195(9)
_cell_length_c                   12.780(2)
_cell_measurement_temperature    100(2)
_cell_volume                     2814.3(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.342
_cod_original_sg_symbol_H-M      'C 2'
_cod_original_formula_sum        'C36 H31 B N4 F2'
_cod_database_code               7100855
Impact of a Conformationally Restricted Receptor on the BF2 Chelated Azadipyrromethene Fluorosensing Platform
O. Donal; John Killoran; Chemical Communications  (2006) –; doi:10.1039/b513878g

data_7100856
_publ_section_title
;
Impact of a Conformationally Restricted Receptor on
the BF2 Chelated Azadipyrromethene Fluorosensing Platform
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b513878g
_journal_year                    2006
_chemical_formula_sum            'C34 H27 B F2 N4'
_chemical_formula_weight         540.41
_chemical_name_common
;
BF2 chelated (3,5-Diphenyl-1H-pyrrol-2-yl)-(3-(4-
dimethylaminophenyl) -5-phenylpyrrol-2-ylidene)-amine
;
_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                91.726(6)
_cell_angle_beta                 113.148(5)
_cell_angle_gamma                96.565(6)
_cell_formula_units_Z            2
_cell_length_a                   10.755(3)
_cell_length_b                   10.824(3)
_cell_length_c                   12.163(4)
_cell_measurement_temperature    113(2)
_cell_volume                     1288.9(7)
_diffrn_ambient_temperature      113(2)
_exptl_crystal_density_diffrn    1.392
_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        'C34 H27 B N4 F2'
_cod_database_code               7100856
Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals
A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy; Chemical Communications  (2006) –; doi:10.1039/b515510j

data_7100857
_publ_section_title
;
Carboxamide pyridine N-oxide heterosynthon for crystal
engineering and pharmaceutical cocrystals
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b515510j
_journal_year                    2006
_chemical_formula_moiety         'C10 H8 N2 O2, C4 H4 N2 O3, H2 O'
_chemical_formula_sum            'C14 H14 N4 O6'
_chemical_formula_weight         334.29
_chemical_name_common
;
Hydrate of 1:1 complex of barbituric acid and bipyridine-bis-
N-oxide
;
_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                   16.2210(11)
_cell_length_b                   6.5971(5)
_cell_length_c                   27.0692(19)
_cell_measurement_temperature    100(2)
_cell_volume                     2896.7(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.533
_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               7100857
Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals
A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy; Chemical Communications  (2006) –; doi:10.1039/b515510j

data_7100858
_publ_section_title
;
Carboxamide pyridine N-oxide heterosynthon for crystal
engineering and pharmaceutical cocrystals
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b515510j
_journal_year                    2006
_chemical_formula_moiety         'C6 H6 N2 O2'
_chemical_formula_sum            'C6 H6 N2 O2'
_chemical_formula_weight         138.13
_chemical_name_common            Isonicotinamide-N-oxide
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.467(3)
_cell_length_b                   11.722(3)
_cell_length_c                   3.7370(10)
_cell_measurement_temperature    100(2)
_cell_volume                     589.9(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.555
_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               7100858
Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals
A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy; Chemical Communications  (2006) –; doi:10.1039/b515510j

data_7100859
_publ_section_title
;
Carboxamide pyridine N-oxide heterosynthon for crystal
engineering and pharmaceutical cocrystals
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b515510j
_journal_year                    2006
_chemical_formula_moiety         'C6 H6 N2 O2'
_chemical_formula_sum            'C6 H6 N2 O2'
_chemical_formula_weight         138.13
_chemical_name_common            Nicotinamide-N-oxide
_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                 110.064(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0498(16)
_cell_length_b                   3.6869(5)
_cell_length_c                   15.019(2)
_cell_measurement_temperature    100(2)
_cell_volume                     574.73(14)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.596
_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               7100859
Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals
A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy; Chemical Communications  (2006) –; doi:10.1039/b515510j

data_7100860
_publ_section_title
;
Carboxamide pyridine N-oxide heterosynthon for crystal
engineering and pharmaceutical cocrystals
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b515510j
_journal_year                    2006
_chemical_formula_moiety         'C12 H12 N2 O3, 0.5(C10 H8 N2 O2)'
_chemical_formula_sum            'C17 H16 N3 O4'
_chemical_formula_weight         326.33
_chemical_name_common
'1:0.5 complex of phenobarbital and bipyridine-bis-N-oxide'
_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                 93.165(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3768(12)
_cell_length_b                   15.8728(18)
_cell_length_c                   9.4522(11)
_cell_measurement_temperature    100(2)
_cell_volume                     1554.5(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.394
_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               7100860
Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals
A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy; Chemical Communications  (2006) –; doi:10.1039/b515510j

data_7100861
_publ_section_title
;
Carboxamide pyridine N-oxide heterosynthon for crystal
engineering and pharmaceutical cocrystals
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b515510j
_journal_year                    2006
_chemical_formula_moiety         'C6 H6 N2 O2'
_chemical_formula_sum            'C6 H6 N2 O2'
_chemical_formula_weight         138.13
_chemical_name_common            Pyridine-2-carboxamide-N-oxide
_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                   12.940(3)
_cell_length_b                   7.3496(19)
_cell_length_c                   13.087(3)
_cell_measurement_temperature    298(2)
_cell_volume                     1244.6(6)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.474
_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               7100861
Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals
A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy; Chemical Communications  (2006) –; doi:10.1039/b515510j

data_7100862
_publ_section_title
;
Carboxamide pyridine N-oxide heterosynthon for crystal
engineering and pharmaceutical cocrystals
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b515510j
_journal_year                    2006
_chemical_formula_moiety         'C5 H5 N3 O2'
_chemical_formula_sum            'C5 H5 N3 O2'
_chemical_formula_weight         139.12
_chemical_name_common            Pyrazinamide-4-N-oxide
_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                96.838(9)
_cell_angle_beta                 97.094(9)
_cell_angle_gamma                102.822(9)
_cell_formula_units_Z            4
_cell_length_a                   5.403(3)
_cell_length_b                   7.508(4)
_cell_length_c                   14.978(8)
_cell_measurement_temperature    298(2)
_cell_volume                     581.2(6)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.590
_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               7100862
M.T. Whited; E. Rivard; J.C. Peters; Chemical Communications  (2006) –; doi:10.1039/b516046d

data_7100863
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b516046d
_journal_year                    2006
_chemical_formula_sum            'C63 H64 Co I N P3 Si'
_chemical_formula_weight         1141.98
_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                 102.943(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.0701(10)
_cell_length_b                   19.1387(15)
_cell_length_c                   22.1493(16)
_cell_measurement_temperature    100(2)
_cell_volume                     5399.8(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.405
_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               7100863