LMucko/crystallography-open-database huggingface dataset:
Victor Barba; Inorganic Chemistry  (2006) –; doi:10.1021/ic051850o

data_4300692
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051850o
_journal_year                    2006
_chemical_formula_sum            'C39 H30 B3 N3 O13'
_chemical_formula_weight         781.09
_chemical_melting_point_gt       643.15
_chemical_name_common            boracalix[3]arene_1d
_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                 95.361(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.408(3)
_cell_length_b                   12.442(2)
_cell_length_c                   18.370(3)
_cell_measurement_temperature    100(2)
_cell_volume                     3961.3(12)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.310
_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 

The following automatic conversions were performed:

'_cell_measurement_temperature' value '100(2)k' was changed to
'100(2)' - the value should be numeric and without a unit
designator.

'_diffrn_ambient_temperature' value '100(2)_K' was
changed to '100(2)' - the value should be numeric and without a unit
designator.

'_chemical_melting_point' tag was changed to
'_chemical_melting_point_gt' since the value was specified 'more
than' ('>') a certain temperature. The value '>_370C' was changed to
'643.15' - 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               4300692
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051860p

data_4300693
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051860p
_journal_year                    2006
_chemical_formula_sum            'C84 H168 Cl8 Cu6 Fe4 Mo2 O4 P8 S10'
_chemical_formula_weight         2890.66
_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                 96.286(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.695(2)
_cell_length_b                   27.611(4)
_cell_length_c                   16.045(2)
_cell_measurement_temperature    150(2)
_cell_volume                     6030.7(15)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.592
_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               4300693
_ratio_trasmission_factors       0.591377
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051860p

data_4300694
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051860p
_journal_year                    2006
_chemical_formula_sum            'C97 H199 Cl8 Cu5 F6 Fe4 Mo2 O5 P10 S11'
_chemical_formula_weight         3238.68
_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                84.443(3)
_cell_angle_beta                 75.427(3)
_cell_angle_gamma                66.400(3)
_cell_formula_units_Z            2
_cell_length_a                   15.860(3)
_cell_length_b                   18.159(3)
_cell_length_c                   28.410(5)
_cell_measurement_temperature    150(2)
_cell_volume                     7256(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.459
_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               4300694
_ratio_trasmission_factors       0.773610
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051875n

data_4300695
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051875n
_journal_year                    2006
_chemical_formula_moiety         'C18 H26 Hg N2 S2, 2(F6 P)'
_chemical_formula_sum            'C18 H26 F12 Hg N2 P2 S2'
_chemical_formula_weight         825.08
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.77(2)
_cell_angle_beta                 82.74(3)
_cell_angle_gamma                88.03(3)
_cell_formula_units_Z            1
_cell_length_a                   6.165(3)
_cell_length_b                   8.403(4)
_cell_length_c                   13.120(5)
_cell_measurement_temperature    193(2)
_cell_volume                     650.6(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    2.106
_cod_database_code               4300695
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051875n

data_4300696
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051875n
_journal_year                    2006
_chemical_formula_moiety         'C54 H78 Hg2 N6 S6, 4(F6 P), 2(C2 H3 N)'
_chemical_formula_sum            'C58 H84 F24 Hg2 N8 P4 S6'
_chemical_formula_weight         2066.75
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.996(3)
_cell_angle_beta                 100.047(4)
_cell_angle_gamma                96.313(4)
_cell_formula_units_Z            1
_cell_length_a                   9.6164(13)
_cell_length_b                   10.8605(14)
_cell_length_c                   19.202(3)
_cell_measurement_temperature    193(2)
_cell_volume                     1959.7(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.751
_cod_database_code               4300696
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051875n

data_4300697
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051875n
_journal_year                    2006
_chemical_formula_moiety         'C19 H26 Hg N3 S3, F6 P'
_chemical_formula_sum            'C19 H26 F6 Hg N3 P S3'
_chemical_formula_weight         738.17
_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                90.00
_cell_angle_beta                 92.84(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   10.431(2)
_cell_length_b                   28.455(6)
_cell_length_c                   25.414(5)
_cell_measurement_temperature    193(2)
_cell_volume                     7534(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.952
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4300697
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051875n

data_4300698
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051875n
_journal_year                    2006
_chemical_formula_moiety         'C20 H26 Hg N4 S4'
_chemical_formula_sum            'C20 H26 Hg N4 S4'
_chemical_formula_weight         651.32
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.2168(8)
_cell_length_b                   16.2964(14)
_cell_length_c                   17.6858(19)
_cell_measurement_temperature    193(2)
_cell_volume                     2368.2(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.829
_cod_original_sg_symbol_Hall     '-P 2ab 2ac  '
_cod_database_code               4300698
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051875n

data_4300699
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051875n
_journal_year                    2006
_chemical_formula_moiety         'C9 H13 Hg I2 N S'
_chemical_formula_sum            'C9 H13 Hg I2 N S'
_chemical_formula_weight         621.66
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.383(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.995(2)
_cell_length_b                   15.022(3)
_cell_length_c                   7.9580(11)
_cell_measurement_temperature    193(2)
_cell_volume                     1418.6(4)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    2.911
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'C9 H13 Hg I2 N S '
_cod_database_code               4300699
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051875n

data_4300700
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051875n
_journal_year                    2006
_chemical_formula_moiety
'4(C18 H26 Hg N2 S2), Hg2 I6, 2(F6 P), 4(N O3), Hg I2'
_chemical_formula_sum            'C72 H104 F12 Hg7 I8 N12 O12 P2 S8'
_chemical_formula_weight         4295.50
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.504(3)
_cell_length_b                   28.009(5)
_cell_length_c                   11.859(2)
_cell_measurement_temperature    193(2)
_cell_volume                     5482.1(17)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    2.602
_cod_original_sg_symbol_H-M      'P m m n'
_cod_database_code               4300700
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051875n

data_4300701
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051875n
_journal_year                    2006
_chemical_formula_moiety         'C18 H26 Hg2 I4 N2 S2'
_chemical_formula_sum            'C18 H26 Hg2 I4 N2 S2'
_chemical_formula_weight         1243.31
_space_group_IT_number           31
_space_group_name_Hall           'P 2ac -2'
_space_group_name_H-M_alt        'P m n 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.791(3)
_cell_length_b                   10.850(2)
_cell_length_c                   9.0570(18)
_cell_measurement_temperature    193(2)
_cell_volume                     1650.0(6)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    2.503
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'orthornombic' was replaced with
'orthorhombic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4300701
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051875n

data_4300702
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051875n
_journal_year                    2006
_chemical_formula_moiety         'C18 H26 Hg N2 S2, C2 Cl2 Hg N2 S2'
_chemical_formula_sum            'C20 H26 Cl2 Hg2 N4 S4'
_chemical_formula_weight         922.81
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.234(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.3897(9)
_cell_length_b                   27.699(4)
_cell_length_c                   7.5773(11)
_cell_measurement_temperature    193(2)
_cell_volume                     1339.0(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    2.289
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4300702
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051875n

data_4300703
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051875n
_journal_year                    2006
_chemical_formula_moiety         '2(C18 H26 N2 S2), 2(Cl4 Hg), Cl2 Hg'
_chemical_formula_sum            'C36 H52 Cl10 Hg3 N4 S4'
_chemical_formula_weight         1625.3
_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                 103.053(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.9906(19)
_cell_length_b                   16.2749(18)
_cell_length_c                   11.5464(12)
_cell_measurement_temperature    193(2)
_cell_volume                     2561.1(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    2.108
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4300703
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051875n

data_4300704
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051875n
_journal_year                    2006
_chemical_formula_moiety
'3(C54 H78 Hg2 N6 S6), F6 P, 4(Cl), 3(Cl), Cl, 1.02(Cl), 1.98(Cl)'
_chemical_formula_sum            'C162 H234 Cl11 F6 Hg6 N18 P S18'
_chemical_formula_weight         4749.39
_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            3
_cell_length_a                   20.8335(11)
_cell_length_b                   20.8335(11)
_cell_length_c                   42.762(3)
_cell_measurement_temperature    193(2)
_cell_volume                     16073.5(16)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.472
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               4300704
Sabater, Laurent; Hureau, Christelle; Guillot, Régis; Aukauloo Ally; Inorganic Chemistry  (2006) –; doi:

data_4300705
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_sum            'C23 H24 Cl2 Mn N5 O5'
_chemical_formula_weight         576.31
_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                 107.865(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4945(13)
_cell_length_b                   26.642(4)
_cell_length_c                   9.2703(13)
_cell_measurement_temperature    100(1)
_cell_volume                     2466.9(6)
_diffrn_ambient_temperature      100(1)
_exptl_crystal_density_diffrn    1.552
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4300705
A Co3(RL)2(hfac)2 Ladder Complex of 5-(4-[N-Tert-butyl-N-aminoxyl]phenyl)pyrimidine
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051884w

data_4300706
_publ_section_title
;
A Co3(RL)2(hfac)2 Ladder Complex of
5-(4-[N-Tert-butyl-N-aminoxyl]phenyl)pyrimidine
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051884w
_journal_year                    2006
_chemical_formula_moiety         'C58 H38 Co3 F36 N6 O14 '
_chemical_formula_sum            'C58 H38 Co3 F36 N6 O14'
_chemical_formula_weight         1903.697
_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                93.4481(6)
_cell_angle_beta                 94.2305(6)
_cell_angle_gamma                102.2943(7)
_cell_formula_units_Z            1
_cell_length_a                   10.2959(2)
_cell_length_b                   10.4928(2)
_cell_length_c                   18.2320(3)
_cell_measurement_temperature    298
_cell_volume                     1913.42(6)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.652
_refine_diff_density_rms         0.092
_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        'C58 H38 Co3 F36 N6 O14 '
_cod_database_code               4300706
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0518881

data_4300707
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0518881
_journal_year                    2006
_chemical_formula_sum            'C45 H47 N3 O25 Tb3'
_chemical_formula_weight         1506.62
_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                85.086(2)
_cell_angle_beta                 88.092(2)
_cell_angle_gamma                62.225(2)
_cell_formula_units_Z            2
_cell_length_a                   10.7622(9)
_cell_length_b                   11.3038(10)
_cell_length_c                   26.224(2)
_cell_measurement_temperature    273(2)
_cell_volume                     2812.3(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.779
_cod_database_code               4300707
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0518881

data_4300708
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0518881
_journal_year                    2006
_chemical_formula_sum            'C46 H49 Dy3 N3 O25'
_chemical_formula_weight         1531.38
_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                85.111(3)
_cell_angle_beta                 88.148(2)
_cell_angle_gamma                62.415(2)
_cell_formula_units_Z            2
_cell_length_a                   10.7383(16)
_cell_length_b                   11.2808(16)
_cell_length_c                   26.138(4)
_cell_measurement_temperature    273(2)
_cell_volume                     2796.0(7)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.819
_cod_database_code               4300708
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0518881

data_4300709
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0518881
_journal_year                    2006
_chemical_formula_sum            'C46 H49 Ho3 N3 O25'
_chemical_formula_weight         1538.67
_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                84.970(4)
_cell_angle_beta                 87.963(4)
_cell_angle_gamma                62.568(4)
_cell_formula_units_Z            2
_cell_length_a                   10.741(2)
_cell_length_b                   11.284(3)
_cell_length_c                   26.152(6)
_cell_measurement_temperature    571(2)
_cell_volume                     2802.5(11)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.823
_cod_database_code               4300709
; Inorganic Chemistry  (2006) –; doi:10.1021/ic0518881

data_4300710
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0518881
_journal_year                    2006
_chemical_formula_sum            'C46 H49 Er3 N3 O25'
_chemical_formula_weight         1545.66
_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                84.9980(10)
_cell_angle_beta                 88.1350(10)
_cell_angle_gamma                62.6600(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7098(5)
_cell_length_b                   11.2449(5)
_cell_length_c                   26.0660(11)
_cell_measurement_temperature    566(2)
_cell_volume                     2777.8(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.848
_cod_database_code               4300710
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051896h

data_4300711
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051896h
_journal_year                    2006
_chemical_formula_sum            'C12 H10 Co3 N8 O6'
_chemical_formula_weight         539.07
_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                 112.1820(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.4218(3)
_cell_length_b                   18.0665(10)
_cell_length_c                   7.8665(4)
_cell_measurement_temperature    293(2)
_cell_volume                     845.12(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.118
_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               4300711