LMucko/crystallography-open-database huggingface dataset:
Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems
P. Comba; Shigemasa Kuwata; Gerald Linti; Hans Pritzkow; Mate Tarnai; Hubert Wadepohl; Chemical Communications  (2006) –; doi:10.1039/b602571d

data_7101079
_publ_section_title
;
Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602571d
_journal_year                    2006
_chemical_formula_moiety         C22H25Cl2CoN4_ClO4_0.25CH3CN
_chemical_formula_sum            'C22.5 H25.75 Cl3 Co N4.25 O10'
_chemical_formula_weight         681.00
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                77.85(3)
_cell_angle_beta                 76.36(3)
_cell_angle_gamma                82.11(3)
_cell_formula_units_Z            2
_cell_length_a                   8.3160(17)
_cell_length_b                   12.937(3)
_cell_length_c                   13.434(3)
_cell_measurement_temperature    200(2)
_cell_volume                     1367.3(5)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.654
_cod_original_formula_sum        'C22.50 H25.75 Cl3 Co N4.25 O10'
_cod_database_code               7101079
Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems
P. Comba; Shigemasa Kuwata; Gerald Linti; Hans Pritzkow; Mate Tarnai; Hubert Wadepohl; Chemical Communications  (2006) –; doi:10.1039/b602571d

data_7101080
_publ_section_title
;
Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602571d
_journal_year                    2006
_chemical_formula_sum            'C22 H26 Cl3 Co N4 O16'
_chemical_formula_weight         767.75
_space_group_IT_number           2
_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                113.766(2)
_cell_angle_beta                 91.005(3)
_cell_angle_gamma                109.556(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3500(15)
_cell_length_b                   13.2623(18)
_cell_length_c                   13.9803(18)
_cell_measurement_temperature    100(2)
_cell_volume                     1786.3(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.427
_cod_database_code               7101080
Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems
P. Comba; Shigemasa Kuwata; Gerald Linti; Hans Pritzkow; Mate Tarnai; Hubert Wadepohl; Chemical Communications  (2006) –; doi:10.1039/b602571d

data_7101081
_publ_section_title
;
Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602571d
_journal_year                    2006
_chemical_formula_moiety         '2( C22 H22 Co N4 O9), P F6, K3, 9.4( H2 O)'
_chemical_formula_sum            'C44 H63 Co2 F6 K3 N8 O27.5 P'
_chemical_formula_weight         1524.16
_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                101.279(1)
_cell_angle_beta                 111.414(1)
_cell_angle_gamma                107.638(1)
_cell_formula_units_Z            2
_cell_length_a                   13.8467(8)
_cell_length_b                   14.6159(9)
_cell_length_c                   16.919(1)
_cell_measurement_temperature    103(2)
_cell_volume                     2851.2(3)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    1.775
_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        'C44 H63 Co2 F6 K3 N8 O27.5 P1'
_cod_database_code               7101081
Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems
P. Comba; Shigemasa Kuwata; Gerald Linti; Hans Pritzkow; Mate Tarnai; Hubert Wadepohl; Chemical Communications  (2006) –; doi:10.1039/b602571d

data_7101082
_publ_section_title
;
Oxidative N-dealkylation in cobalt-bispidine-H2O2 systems
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602571d
_journal_year                    2006
_chemical_formula_sum            'C23 H29 Cl2 Co N4 O17'
_chemical_formula_weight         763.33
_space_group_IT_number           2
_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                91.266(2)
_cell_angle_beta                 109.016(2)
_cell_angle_gamma                111.689(1)
_cell_formula_units_Z            2
_cell_length_a                   10.7753(8)
_cell_length_b                   12.5214(10)
_cell_length_c                   15.2590(12)
_cell_measurement_temperature    100(2)
_cell_volume                     1784.7(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.420
_cod_database_code               7101082
Copolymerisation of Pt-Carbonyl Clusters with Lewis Acids: Synthesis and Crystal Structure of the Molecular {Cd2Cl4[Pt9(CO)18]2-}? 1-D Superwire
Giuliano Longoni; Cristina Femoni; M. Carmela Iapalucci; K.Francesco; Stefano Zacchini; Chemical Communications  (2006) –; doi:10.1039/b602593e

data_7101083
_publ_section_title
;
Copolymerisation of Pt-Carbonyl Clusters with Lewis
Acids: Synthesis and Crystal Structure of the Molecular
{Cd2Cl4[Pt9(CO)18]2-}? 1-D Superwire
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602593e
_journal_year                    2006
_chemical_formula_sum            'C50 H72 Cd2 Cl4 N2 O18 Pt9'
_chemical_formula_weight         3111.51
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                77.03(2)
_cell_angle_beta                 84.52(3)
_cell_angle_gamma                70.26(2)
_cell_formula_units_Z            2
_cell_length_a                   13.49(2)
_cell_length_b                   13.74(2)
_cell_length_c                   23.62(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4013(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.575
_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               7101083
The first structurally characterized nitrosyl heme thiolate model complex
G. Richter-Addo; Lin Cheng.; Douglas R. Powell; Nan Xu.; Chemical Communications  (2006) –; doi:10.1039/b602611g

data_7101084
_publ_section_title
;
The first structurally characterized nitrosyl heme
thiolate model complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602611g
_journal_year                    2006
_chemical_formula_moiety         'C46 H49 F6 Fe N7 O3 S, 0.5(C6 H14)'
_chemical_formula_sum            'C49 H56 F6 Fe N7 O3 S'
_chemical_formula_weight         992.92
_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                98.573(9)
_cell_angle_beta                 94.080(9)
_cell_angle_gamma                99.425(9)
_cell_formula_units_Z            2
_cell_length_a                   9.181(5)
_cell_length_b                   12.455(7)
_cell_length_c                   21.261(12)
_cell_measurement_temperature    100(2)
_cell_volume                     2360(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.397
_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               7101084
The first structurally characterized nitrosyl heme thiolate model complex
G. Richter-Addo; Lin Cheng.; Douglas R. Powell; Nan Xu.; Chemical Communications  (2006) –; doi:10.1039/b602611g

data_7101085
_publ_section_title
;
The first structurally characterized nitrosyl heme
thiolate model complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602611g
_journal_year                    2006
_chemical_formula_moiety         'C46 H49 F6 Fe N6 O2 S, 0.5(C6 H14)'
_chemical_formula_sum            'C49 H56 F6 Fe N6 O2 S'
_chemical_formula_weight         962.91
_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                100.889(5)
_cell_angle_beta                 91.761(5)
_cell_angle_gamma                101.373(5)
_cell_formula_units_Z            2
_cell_length_a                   8.9881(14)
_cell_length_b                   13.208(2)
_cell_length_c                   19.879(3)
_cell_measurement_temperature    100(2)
_cell_volume                     2266.3(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.411
_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               7101085
2-Amino-3,4-diethylpyrrole: a new building block for coiled structures
Jonathan L. Sessler; Vince Lynch; G. Dan Pantos; M. Salome Rodriguez-Morgade; Tomas Torres; Chemical Communications  (2006) –; doi:10.1039/b602956f

data_7101086
_publ_section_title
;
2-Amino-3,4-diethylpyrrole: a new building block for
coiled structures
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602956f
_journal_year                    2006
_chemical_formula_sum            'C49 H43 N11 O6'
_chemical_formula_weight         881.94
_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                65.588(2)
_cell_angle_beta                 69.964(2)
_cell_angle_gamma                67.954(2)
_cell_formula_units_Z            2
_cell_length_a                   12.7239(4)
_cell_length_b                   13.6559(5)
_cell_length_c                   15.0447(7)
_cell_measurement_temperature    153(2)
_cell_volume                     2151.24(14)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.362
_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               7101086
2-Amino-3,4-diethylpyrrole: a new building block for coiled structures
Jonathan L. Sessler; Vince Lynch; G. Dan Pantos; M. Salome Rodriguez-Morgade; Tomas Torres; Chemical Communications  (2006) –; doi:10.1039/b602956f

data_7101087
_publ_section_title
;
2-Amino-3,4-diethylpyrrole: a new building block for
coiled structures
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b602956f
_journal_year                    2006
_chemical_formula_sum            'C13 H17 N3 O2'
_chemical_formula_weight         247.30
_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                 96.867(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5504(10)
_cell_length_b                   9.0899(8)
_cell_length_c                   13.5949(14)
_cell_measurement_temperature    153(2)
_cell_volume                     1294.4(2)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.269
_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               7101087
Relative importance of X...O=C versus X...X halogen bonding as structural determinants in 4-halotriaroylbenzenes
F. Christopher Pigge; Venu R. Vangala; Dale C.Swenson; Chemical Communications  (2006) –; doi:10.1039/b603110b

data_7101088
_publ_section_title
;
Relative importance of X...O=C versus X...X halogen bonding
as structural determinants in 4-halotriaroylbenzenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b603110b
_journal_year                    2006
_chemical_formula_moiety         'C27 H15 Br3 O3'
_chemical_formula_sum            'C27 H15 Br3 O3'
_chemical_formula_weight         627.09
_chemical_melting_point          470.49
_chemical_name_common            1,3,5-tris(4-Bromobenzoyl)benzene
_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                95.413(5)
_cell_angle_beta                 98.622(5)
_cell_angle_gamma                107.017(5)
_cell_formula_units_Z            2
_cell_length_a                   8.7341(9)
_cell_length_b                   11.0843(11)
_cell_length_c                   12.6991(13)
_cell_measurement_temperature    190(2)
_cell_volume                     1149.8(2)
_diffrn_ambient_temperature      190(2)
_exptl_crystal_density_diffrn    1.811
_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               7101088
Relative importance of X...O=C versus X...X halogen bonding as structural determinants in 4-halotriaroylbenzenes
F. Christopher Pigge; Venu R. Vangala; Dale C.Swenson; Chemical Communications  (2006) –; doi:10.1039/b603110b

data_7101089
_publ_section_title
;
Relative importance of X...O=C versus X...X halogen bonding
as structural determinants in 4-halotriaroylbenzenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b603110b
_journal_year                    2006
_chemical_formula_moiety         ' (C27 H15 O3 Br3)0.552, (C27 H15 O3 Cl3)0.448'
_chemical_formula_sum            'C27 H15 Br1.656 Cl1.344 O3'
_chemical_formula_weight         567.35
_chemical_melting_point          463.55
_chemical_name_common
;
(1,3,5-tris(4-Bromobenzoyl)benzene).(1,3,5-tris(4-
Chlorobenzoyl)benzene)
;
_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                95.743(5)
_cell_angle_beta                 98.372(5)
_cell_angle_gamma                106.709(5)
_cell_formula_units_Z            2
_cell_length_a                   8.6566(9)
_cell_length_b                   11.0606(11)
_cell_length_c                   12.6155(13)
_cell_measurement_temperature    190(2)
_cell_volume                     1131.7(2)
_diffrn_ambient_temperature      190(2)
_exptl_crystal_density_diffrn    1.665
_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        ' C27 H15 Br1.656 Cl1.344 O3'
_cod_database_code               7101089
Relative importance of X...O=C versus X...X halogen bonding as structural determinants in 4-halotriaroylbenzenes
F. Christopher Pigge; Venu R. Vangala; Dale C.Swenson; Chemical Communications  (2006) –; doi:10.1039/b603110b

data_7101090
_publ_section_title
;
Relative importance of X...O=C versus X...X halogen bonding
as structural determinants in 4-halotriaroylbenzenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b603110b
_journal_year                    2006
_chemical_formula_moiety         'C27 H15 I3 O3'
_chemical_formula_sum            'C27 H15 I3 O3'
_chemical_formula_weight         768.09
_chemical_melting_point          484.29
_chemical_name_common            1,3,5-tris(4-Iodobenzoyl)benzene
_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                 92.966(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.3649(7)
_cell_length_b                   13.8815(13)
_cell_length_c                   24.580(2)
_cell_measurement_temperature    190(2)
_cell_volume                     2509.6(4)
_diffrn_ambient_temperature      190(2)
_exptl_crystal_density_diffrn    2.033
_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               7101090
Relative importance of X...O=C versus X...X halogen bonding as structural determinants in 4-halotriaroylbenzenes
F. Christopher Pigge; Venu R. Vangala; Dale C.Swenson; Chemical Communications  (2006) –; doi:10.1039/b603110b

data_7101091
_publ_section_title
;
Relative importance of X...O=C versus X...X halogen bonding
as structural determinants in 4-halotriaroylbenzenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b603110b
_journal_year                    2006
_chemical_formula_moiety         'C27 H15 F3 O3'
_chemical_formula_sum            'C27 H15 F3 O3'
_chemical_formula_weight         444.39
_chemical_melting_point          457.77
_chemical_name_common            1,3,5-tris(4-Fluorobenzoyl)benzene
_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                 101.174(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.757(2)
_cell_length_b                   8.7286(9)
_cell_length_c                   10.5930(11)
_cell_measurement_temperature    190(2)
_cell_volume                     2064.3(4)
_diffrn_ambient_temperature      190(2)
_exptl_crystal_density_diffrn    1.430
_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               7101091
A facile and reproducible synthesis of bis(dialkylselenophosphenyl)-selenides and -diselinides: X-ray structures of [iPr2PSe2]Se, [iPr2PSe2]Se2 and [(Ph)2PSe2]Se
P. O'Brien; Adekunle Adeogun; Mohammad Afzaal; Chinh Q. Nguyen; Chemical Communications  (2006) –; doi:10.1039/b603197h

data_7101092
_publ_section_title
;
A facile and reproducible synthesis of
bis(dialkylselenophosphenyl)-selenides and -diselinides: X-ray
structures of [iPr2PSe2]Se, [iPr2PSe2]Se2 and [(Ph)2PSe2]Se
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b603197h
_journal_year                    2006
_chemical_formula_sum            'C12 H28 P2 Se3'
_chemical_formula_weight         471.16
_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                101.544(8)
_cell_angle_beta                 95.067(9)
_cell_angle_gamma                101.157(8)
_cell_formula_units_Z            2
_cell_length_a                   7.324(3)
_cell_length_b                   10.189(5)
_cell_length_c                   12.669(6)
_cell_measurement_temperature    100(2)
_cell_volume                     900.7(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.737
_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               7101092
; Chemical Communications  (2006) –; doi:10.1039/b603197h

data_7101093
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b603197h
_journal_year                    2006
_chemical_formula_sum            'C12 H28 P2 Se4'
_chemical_formula_weight         550.12
_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                 103.120(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.905(8)
_cell_length_b                   8.393(3)
_cell_length_c                   11.592(4)
_cell_measurement_temperature    100(2)
_cell_volume                     1980.8(12)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.845
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7101093