LMucko/crystallography-open-database huggingface dataset:
Cera, M; Cerrada,E.; Laguna,M.; Mata, J. A.; Teruel, H.; Organometallics  (2002) –; doi:10.1021/om010614s

data_4060780
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010614s
_journal_year                    2002
_chemical_formula_sum            'C52 H86 Ca2 O6'
_chemical_formula_weight         887.37
_chemical_name_common            'tBucalcocene.DME + tBucalcocene.2DME'
_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                 95.234(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.401(12)
_cell_length_b                   10.683(6)
_cell_length_c                   23.945(14)
_cell_measurement_temperature    203(2)
_cell_volume                     5197(5)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.134
_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               4060780
An unprecedented luminescent two-dimensional coordination polymer with an approx rectangular molecular grid containing copper(i)-olefin bond as bridging spacer
; Organometallics  (2002) –; doi:10.1021/om010665p

data_4060781
_publ_section_title
;
An unprecedented luminescent two-dimensional coordination polymer with an approx
rectangular molecular grid containing copper(i)-olefin bond as bridging spacer
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010665p
_journal_year                    2002
_chemical_formula_sum            'C7 H7 Cl Cu N'
_chemical_formula_weight         204.13
_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                 109.494(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.9377(11)
_cell_length_b                   9.4600(12)
_cell_length_c                   10.7491(12)
_cell_measurement_temperature    295(2)
_cell_volume                     760.89(17)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.782
_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               4060781
Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin Dimerization in an Imidazolium Chloroaluminate Ionic Liquid
McGuinness, David S.; Mueller, Wolfgang; Wasserscheid, Peter; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.; Englert, Ulli; Organometallics 21 (2002) 175–181; doi:10.1021/om010717a

data_4060782
_publ_section_title
;
 Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin
 Dimerization in an Imidazolium Chloroaluminate Ionic Liquid
;
_journal_coden_ASTM              ORGND7
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              175
_journal_page_last               181
_journal_paper_doi               10.1021/om010717a
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C14 H24 I2 N4 Ni'
_chemical_formula_weight         560.89
_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            4.00
_cell_length_a                   12.896(2)
_cell_length_b                   9.091(1)
_cell_length_c                   16.684(4)
_cell_measurement_temperature    213
_cell_volume                     1956.0(6)
_diffrn_ambient_temperature      213
_exptl_crystal_density_diffrn    1.90
_cod_original_formula_sum        'C14 H24 I2 N4 Ni1'
_cod_database_code               4060782
Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin Dimerization in an Imidazolium Chloroaluminate Ionic Liquid
McGuinness, David S.; Mueller, Wolfgang; Wasserscheid, Peter; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.; Englert, Ulli; Organometallics 21 (2002) 175–181; doi:10.1021/om010717a

data_4060783
_publ_section_title
;
 Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin
 Dimerization in an Imidazolium Chloroaluminate Ionic Liquid
;
_journal_coden_ASTM              ORGND7
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              175
_journal_page_last               181
_journal_paper_doi               10.1021/om010717a
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C16 H28 I2 N4 Ni'
_chemical_formula_weight         588.93
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                83.618(3)
_cell_angle_beta                 83.010(2)
_cell_angle_gamma                62.557(2)
_cell_formula_units_Z            3
_cell_length_a                   8.0659(8)
_cell_length_b                   8.3373(8)
_cell_length_c                   27.188(3)
_cell_measurement_temperature    150
_cell_volume                     1607.4(3)
_exptl_crystal_density_diffrn    1.825
_cod_original_formula_sum        'C16 H28 I2 N4 Ni1'
_cod_database_code               4060783
Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin Dimerization in an Imidazolium Chloroaluminate Ionic Liquid
McGuinness, David S.; Mueller, Wolfgang; Wasserscheid, Peter; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.; Englert, Ulli; Organometallics 21 (2002) 175–181; doi:10.1021/om010717a

data_4060784
_publ_section_title
;
 Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin
 Dimerization in an Imidazolium Chloroaluminate Ionic Liquid
;
_journal_coden_ASTM              ORGND7
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              175
_journal_page_last               181
_journal_paper_doi               10.1021/om010717a
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C14 H24 I2 N4 Ni'
_chemical_formula_weight         560.87
_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                90.00000
_cell_angle_beta                 107.005(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   8.4270(10)
_cell_length_b                   9.1800(10)
_cell_length_c                   12.841(2)
_cell_measurement_temperature    150
_cell_volume                     949.9(2)
_exptl_crystal_density_diffrn    1.961
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C14 H24 I2 N4 Ni1'
_cod_database_code               4060784
Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin Dimerization in an Imidazolium Chloroaluminate Ionic Liquid
McGuinness, David S.; Mueller, Wolfgang; Wasserscheid, Peter; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.; Englert, Ulli; Organometallics 21 (2002) 175–181; doi:10.1021/om010717a

data_4060785
_publ_section_title
;
 Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin
 Dimerization in an Imidazolium Chloroaluminate Ionic Liquid
;
_journal_coden_ASTM              ORGND7
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              175
_journal_page_last               181
_journal_paper_doi               10.1021/om010717a
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C18 H32 I2 N4 Ni'
_chemical_formula_weight         616.98
_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                90.00000
_cell_angle_beta                 111.2570(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   32.052(2)
_cell_length_b                   9.1587(5)
_cell_length_c                   17.4316(9)
_cell_measurement_temperature    150
_cell_volume                     4769.0(5)
_exptl_crystal_density_diffrn    1.719
_cod_original_sg_symbol_Hall     -c_2yc
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C18 H32 I2 N4 Ni1'
_cod_database_code               4060785
Skelton, Brian W.; Organometallics  (2002) –; doi:10.1021/om010727b

data_4060786
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010727b
_journal_year                    2002
_chemical_formula_sum            'C31 H32 Cl2 O4 P2 Pd'
_chemical_formula_weight         707.81
_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(5)
_cell_angle_beta                 112.80(1)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   11.711(2)
_cell_length_b                   19.818(3)
_cell_length_c                   14.380(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3076.7(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.528
_refine_ls_R_factor_obs          0.0556
_refine_ls_wR_factor_obs         0.1717
_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               4060786
Skelton, Brian W.; Organometallics  (2002) –; doi:10.1021/om010727b

data_4060787
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010727b
_journal_year                    2002
_chemical_formula_sum            'C32 H34 O4 P2 Pd'
_chemical_formula_weight         650.93
_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                104.450(2)
_cell_angle_beta                 90.800(3)
_cell_angle_gamma                94.480(3)
_cell_formula_units_Z            2
_cell_length_a                   8.191(5)
_cell_length_b                   13.173(2)
_cell_length_c                   14.404(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1499.5(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.442
_refine_ls_R_factor_obs          0.0462
_refine_ls_wR_factor_obs         0.1087
_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               4060787
Skelton, Brian W.; Organometallics  (2002) –; doi:10.1021/om010727b

data_4060788
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010727b
_journal_year                    2002
_chemical_formula_sum            'C32 H36 O5 P2 Pd'
_chemical_formula_weight         668.99
_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                90.000(5)
_cell_angle_beta                 100.320(10)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   8.7980(10)
_cell_length_b                   15.665(7)
_cell_length_c                   22.102(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2996.8(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.443
_refine_ls_R_factor_obs          0.0490
_refine_ls_wR_factor_obs         0.0931
_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               4060788
Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues
Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.; Organometallics 21 (2002) 592–605; doi:10.1021/om010735s

data_4060789
_publ_section_title
;
 Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes
 and Their Oxodienyl Analogues
;
_journal_coden_ASTM              ORGND7
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              592
_journal_page_last               605
_journal_paper_doi               10.1021/om010735s
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C16 H24 O Ru'
_chemical_formula_sum            'C16 H24 O Ru'
_chemical_formula_weight         333.42
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.485(2)
_cell_length_b                   11.720(2)
_cell_length_c                   12.401(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1523.9(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.453
_refine_ls_R_factor_obs          0.0326
_refine_ls_wR_factor_obs         0.0766
_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               4060789
Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues
Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.; Organometallics 21 (2002) 592–605; doi:10.1021/om010735s

data_4060790
_publ_section_title
;
 Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes
 and Their Oxodienyl Analogues
;
_journal_coden_ASTM              ORGND7
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              592
_journal_page_last               605
_journal_paper_doi               10.1021/om010735s
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C16 H24 Cl4 O Ru Sn'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.64(20)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.8290(20)
_cell_length_b                   15.6050(30)
_cell_length_c                   15.2740(30)
_cod_depositor_comments
;
 Changing the space group from 'P 21/n 1 1' to 'P 1 21/n 1' after consulting
 the original publication.

 Antanas Vaitkus,
 2018-01-28

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_Hall     'P 21/n'
_cod_original_formula_sum        'C16 H24 O1 Cl4 Ru1 Sn1'
_cod_database_code               4060790
Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues
Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.; Organometallics 21 (2002) 592–605; doi:10.1021/om010735s

data_4060791
_publ_section_title
;
 Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes
 and Their Oxodienyl Analogues
;
_journal_coden_ASTM              ORGND7
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              592
_journal_page_last               605
_journal_paper_doi               10.1021/om010735s
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C22 H36 O Ru'
_chemical_formula_sum            'C22 H36 O Ru'
_chemical_formula_weight         417.58
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.604(2)
_cell_length_b                   13.304(3)
_cell_length_c                   13.488(3)
_cell_measurement_temperature    193(2)
_cell_volume                     2082.3(8)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.332
_refine_ls_R_factor_obs          0.0412
_refine_ls_wR_factor_obs         0.1120
_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               4060791
Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues
Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.; Organometallics 21 (2002) 592–605; doi:10.1021/om010735s

data_4060792
_publ_section_title
;
 Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes
 and Their Oxodienyl Analogues
;
_journal_coden_ASTM              ORGND7
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              592
_journal_page_last               605
_journal_paper_doi               10.1021/om010735s
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C16 H24 O3 Ru'
_chemical_formula_sum            'C16 H24 O3 Ru'
_chemical_formula_weight         365.42
_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                 99.98(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.829(2)
_cell_length_b                   8.526(2)
_cell_length_c                   21.244(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1575.0(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.541
_refine_ls_R_factor_obs          0.0330
_refine_ls_wR_factor_obs         0.0835
_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               4060792
Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues
Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.; Organometallics 21 (2002) 592–605; doi:10.1021/om010735s

data_4060793
_publ_section_title
;
 Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes
 and Their Oxodienyl Analogues
;
_journal_coden_ASTM              ORGND7
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              592
_journal_page_last               605
_journal_paper_doi               10.1021/om010735s
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C16 H22 O2 Ru'
_chemical_formula_sum            'C16 H22 O2 Ru'
_chemical_formula_weight         347.41
_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                90.000(12)
_cell_angle_beta                 92.89(6)
_cell_angle_gamma                90.00(6)
_cell_formula_units_Z            4
_cell_length_a                   9.841(3)
_cell_length_b                   13.594(4)
_cell_length_c                   11.172(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1492.7(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.546
_refine_ls_R_factor_obs          0.0367
_refine_ls_wR_factor_obs         0.0951
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Monoclinc' was replaced with
'monoclinic' value.

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               4060793