LMucko/crystallography-open-database huggingface dataset:
Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate Containing Achiral Bis(Bidentate) Schiff-Bases
Habermehl, Nicolle C.; Angus, Patricia M.; Kilah, Nathan L.; Norén, Lasse; Rae, A. David; Willis, Anthony C.; S. Bruce Wild; Inorganic Chemistry  (2006) –; doi:10.1021/ic051478c

data_4300521
_publ_section_title
;
Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate
Containing Achiral Bis(Bidentate) Schiff-Bases
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051478c
_journal_year                    2006
_chemical_absolute_configuration .
_chemical_formula_moiety         ' C28 H28 Cu2 N8, 2(F6 P) '
_chemical_formula_sum            'C28 H28 Cu2 F12 N8 P2'
_chemical_formula_weight         893.60
_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                 109.9056(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.9178(2)
_cell_length_b                   11.6683(2)
_cell_length_c                   21.4158(3)
_cell_measurement_temperature    200
_cell_volume                     3505.03(9)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.693
_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        ' C28 H28 Cu2 F12 N8 P2 '
_cod_database_code               4300521
Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate Containing Achiral Bis(Bidentate) Schiff-Bases
Habermehl, Nicolle C.; Angus, Patricia M.; Kilah, Nathan L.; Norén, Lasse; Rae, A. David; Willis, Anthony C.; S. Bruce Wild; Inorganic Chemistry  (2006) –; doi:10.1021/ic051478c

data_4300522
_publ_section_title
;
Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate
Containing Achiral Bis(Bidentate) Schiff-Bases
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051478c
_journal_year                    2006
_chemical_formula_moiety         ' C40 H52 Cu2 N8, 2(F6 P)'
_chemical_formula_sum            'C40 H52 Cu2 F12 N8 P2'
_chemical_formula_weight         1061.92
_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                 106.8130(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.9164(2)
_cell_length_b                   10.47810(10)
_cell_length_c                   26.2098(2)
_cell_measurement_temperature    200
_cell_volume                     4710.04(8)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.497
_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 H52 Cu2 F12 N8 P2 '
_cod_database_code               4300522
Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate Containing Achiral Bis(Bidentate) Schiff-Bases
Habermehl, Nicolle C.; Angus, Patricia M.; Kilah, Nathan L.; Norén, Lasse; Rae, A. David; Willis, Anthony C.; S. Bruce Wild; Inorganic Chemistry  (2006) –; doi:10.1021/ic051478c

data_4300523
_publ_section_title
;
Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate
Containing Achiral Bis(Bidentate) Schiff-Bases
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051478c
_journal_year                    2006
_chemical_formula_moiety         ' C40 H52 Ag2 N8, 2(F6 P), C2 H3 N '
_chemical_formula_sum            'C42 H55 Ag2 F12 N9 P2'
_chemical_formula_weight         1191.62
_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                100.777(2)
_cell_angle_beta                 92.512(2)
_cell_angle_gamma                108.916(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2078(3)
_cell_length_b                   14.3947(5)
_cell_length_c                   16.2084(6)
_cell_measurement_temperature    200
_cell_volume                     2414.70(14)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.639
_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        ' C42 H55 Ag2 F12 N9 P2 '
_cod_database_code               4300523
Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate Containing Achiral Bis(Bidentate) Schiff-Bases
Habermehl, Nicolle C.; Angus, Patricia M.; Kilah, Nathan L.; Norén, Lasse; Rae, A. David; Willis, Anthony C.; S. Bruce Wild; Inorganic Chemistry  (2006) –; doi:10.1021/ic051478c

data_4300524
_publ_section_title
;
Asymmetric Transformation of a Double-Stranded, Dicopper(I) Helicate
Containing Achiral Bis(Bidentate) Schiff-Bases
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051478c
_journal_year                    2006
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C40 H52 Cu2 N8 , 2(C18 H12 As O6), C H2 Cl2'
_chemical_formula_sum            'C77 H78 As2 Cl2 Cu2 N8 O12'
_chemical_formula_weight         1655.35
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.3325(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.3419(2)
_cell_length_b                   25.9815(4)
_cell_length_c                   12.4508(2)
_cell_measurement_temperature    200
_cell_volume                     3718.94(10)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.478
_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'
_cod_original_formula_sum        ' C77 H78 As2 Cl2 Cu2 N8 O12 '
_cod_database_code               4300524
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,
K. Muller-Buschbaum, Catharina C. Quitmann; Inorganic Chemistry  (2006) –; doi:

data_4300525
_publ_section_title
;
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6],
Ln = Ce, Nd, Sm, Ho,
;
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_moiety         '[Ce(N(C5H4N)2)3)]2'
_chemical_formula_sum            'C60 H48 Ce2 N18'
_chemical_formula_weight         1301.40
_chemical_name_common            Cerium-tris-(dipyridylamide)
_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                 101.600(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.6300(8)
_cell_length_b                   15.3600(10)
_cell_length_c                   16.5200(12)
_cell_measurement_temperature    170(2)
_cell_volume                     2642.2(3)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.636
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C60 H48 N18 Ce2'
_cod_database_code               4300525
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,
K. Muller-Buschbaum, Catharina C. Quitmann; Inorganic Chemistry  (2006) –; doi:

data_4300526
_publ_section_title
;
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6],
Ln = Ce, Nd, Sm, Ho,
;
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_moiety         '[Nd(N(C5H4N)2)3)]2'
_chemical_formula_sum            'C60 H48 N18 Nd2'
_chemical_formula_weight         1309.65
_chemical_name_common            Neodymium-tris-(dipyridylamide)
_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                 101.297(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.6767(14)
_cell_length_b                   15.3285(19)
_cell_length_c                   16.444(3)
_cell_measurement_temperature    170(2)
_cell_volume                     2639.0(6)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.648
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300526
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,
K. Muller-Buschbaum, Catharina C. Quitmann; Inorganic Chemistry  (2006) –; doi:

data_4300527
_publ_section_title
;
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6],
Ln = Ce, Nd, Sm, Ho,
;
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_moiety         '[Sm(N(C5H4N)2)3)]2'
_chemical_formula_sum            'C60 H48 N18 Sm2'
_chemical_formula_weight         1321.88
_chemical_name_common            Samarium-tris-(dipyridylamide)
_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                 101.232(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.7031(13)
_cell_length_b                   15.2735(15)
_cell_length_c                   16.3572(18)
_cell_measurement_temperature    170(2)
_cell_volume                     2622.8(5)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.674
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300527
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,
K. Muller-Buschbaum, Catharina C. Quitmann; Inorganic Chemistry  (2006) –; doi:

data_4300528
_publ_section_title
;
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6],
Ln = Ce, Nd, Sm, Ho,
;
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_moiety         '[Ho(N(C5H4N)2)3)]2'
_chemical_formula_sum            'C60 H48 Ho2 N18'
_chemical_formula_weight         1306.03
_chemical_melting_point          608.15
_chemical_name_common            Holmium-tris-(dipyridylamide)
_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                 100.85(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.735(2)
_cell_length_b                   15.175(3)
_cell_length_c                   16.213(3)
_cell_measurement_temperature    170(2)
_cell_volume                     2594.1(9)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.730
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '335oC' was changed to '608.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300528
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,
K. Muller-Buschbaum, Catharina C. Quitmann; Inorganic Chemistry  (2006) –; doi:

data_4300529
_publ_section_title
;
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6],
Ln = Ce, Nd, Sm, Ho,
;
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_moiety         '[Er(N(C5H4N)2)3)]2'
_chemical_formula_sum            'C60 H48 Er2 N18'
_chemical_formula_weight         1355.68
_chemical_melting_point          593.15
_chemical_name_common            Erbium-tris-(dipyridylamide)
_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                 100.819(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.742(2)
_cell_length_b                   15.133(3)
_cell_length_c                   16.181(3)
_cell_measurement_temperature    170(2)
_cell_volume                     2583.8(9)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.743
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '320oC' was changed to '593.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300529
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,
K. Muller-Buschbaum, Catharina C. Quitmann; Inorganic Chemistry  (2006) –; doi:

data_4300530
_publ_section_title
;
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6],
Ln = Ce, Nd, Sm, Ho,
;
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_moiety         '[Tm(N(C5H4N)2)3)]2'
_chemical_formula_sum            'C60 H48 N18 Tm2'
_chemical_formula_weight         1359.03
_chemical_melting_point          593.15
_chemical_name_common            Thulium-tris-(dipyridylamide)
_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                 100.736(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.7385(8)
_cell_length_b                   15.1420(13)
_cell_length_c                   16.1781(14)
_cell_measurement_temperature    170(2)
_cell_volume                     2584.6(4)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.746
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '320oC' was changed to '593.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300530
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,
K. Muller-Buschbaum, Catharina C. Quitmann; Inorganic Chemistry  (2006) –; doi:

data_4300531
_publ_section_title
;
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6],
Ln = Ce, Nd, Sm, Ho,
;
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_moiety         '[Yb(N(C5H4N)2)3)]2'
_chemical_formula_sum            'C60 H48 N18 Yb2'
_chemical_formula_weight         1367.25
_chemical_melting_point          598.15
_chemical_name_common            Ytterbium-tris-(dipyridylamide)
_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                90.000(10)
_cell_angle_beta                 103.804(9)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7068(12)
_cell_length_b                   15.2989(19)
_cell_length_c                   16.4505(18)
_cell_measurement_temperature    170(2)
_cell_volume                     2616.8(5)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.735
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '325oC' was changed to '598.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4300531
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho,
K. Muller-Buschbaum, Catharina C. Quitmann; Inorganic Chemistry  (2006) –; doi:

data_4300532
_publ_section_title
;
Homoleptic Rare Earth Dipyridylamides [Ln2(N(NC5H4)2)6],
Ln = Ce, Nd, Sm, Ho,
;
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_moiety         '[Sm(N(C5H4N)2)3)]2'
_chemical_formula_sum            'C60 H48 N18 Sm2'
_chemical_formula_weight         1321.88
_chemical_name_common            Samarium-tris-(dipyridylamide)
_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                 101.232(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.7031(13)
_cell_length_b                   15.2735(15)
_cell_length_c                   16.3572(18)
_cell_measurement_temperature    170(2)
_cell_volume                     2622.8(5)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    1.674
_cod_duplicate_entry             4300527
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300532
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0514905

data_4300533
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0514905
_journal_year                    2006
_chemical_formula_sum            'C37 H29 F6 N11 O7 Ru S2'
_chemical_formula_weight         1018.90
_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                84.953(6)
_cell_angle_beta                 88.306(6)
_cell_angle_gamma                83.028(6)
_cell_formula_units_Z            2
_cell_length_a                   9.392(4)
_cell_length_b                   10.915(4)
_cell_length_c                   20.692(8)
_cell_measurement_temperature    296(2)
_cell_volume                     2096.9(14)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.614
_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               4300533
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0514905

data_4300534
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0514905
_journal_year                    2006
_chemical_formula_sum            'C34.44 H26 F10.68 N10 O1.33 P1.56 Ru S0.44'
_chemical_formula_weight         967.48
_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                 101.22(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.294(3)
_cell_length_b                   17.306(4)
_cell_length_c                   16.038(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3891.5(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.651
_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               4300534
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0514905

data_4300535
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0514905
_journal_year                    2006
_chemical_formula_sum            'C35 H27 Cl4 F6 N10 P Ru'
_chemical_formula_weight         975.51
_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                 92.827(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5520(4)
_cell_length_b                   21.0605(10)
_cell_length_c                   21.1224(9)
_cell_measurement_temperature    100(2)
_cell_volume                     3799.7(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.705
_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               4300535