LMucko/crystallography-open-database huggingface dataset:
π-Allyl Nickelate(II) and Palladate(II) Complexes
Alberti, Davide; Goddard, Richard; Rufińska, Anna; Pörschke, Klaus-Richard; Organometallics 22 (2003) 4025–4029; doi:10.1021/om030448j

data_4062295
_publ_section_title
;
 \p-Allyl Nickelate(II) and Palladate(II) Complexes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4025
_journal_page_last               4029
_journal_paper_doi               10.1021/om030448j
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C7 H13 Ni 1-, C12 H32 N4 Li 1+'
_chemical_formula_sum            'C19 H45 Li N4 Ni'
_chemical_formula_weight         395.24
_chemical_temperature_decomposition 293
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.915(2)
_cell_length_b                   17.358(2)
_cell_length_c                   18.286(2)
_cell_measurement_temperature    100
_cell_volume                     4734.2(10)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.109
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been '293,
decomp.'. The value '293, decomp.' was changed to '293'.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4062295
Synthesis, Structure, and Properties of Magnesocene Amine Adducts. Structural Distortions Arising from N-H···C~5~H~5~^-^ Hydrogen Bonding and Molecular Orbital Calculations Thereof
Xia, Aibing; Knox, John E.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.; Organometallics 22 (2003) 4060–4069; doi:10.1021/om030452v

data_4062296
_publ_section_title
;
 Synthesis, Structure, and Properties of Magnesocene Amine Adducts.
 Structural Distortions Arising from N-H&#x00B7;&#x00B7;&#x00B7;C~5~H~5~^-^
 Hydrogen Bonding and Molecular Orbital Calculations Thereof
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4060
_journal_page_last               4069
_journal_paper_doi               10.1021/om030452v
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C16 H23 Mg N'
_chemical_formula_weight         253.66
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.972(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.6243(9)
_cell_length_b                   19.9057(18)
_cell_length_c                   14.3919(13)
_cell_measurement_temperature    295(2)
_cell_volume                     3043.2(5)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.107
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062296
Synthesis, Structure, and Properties of Magnesocene Amine Adducts. Structural Distortions Arising from N-H···C~5~H~5~^-^ Hydrogen Bonding and Molecular Orbital Calculations Thereof
Xia, Aibing; Knox, John E.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.; Organometallics 22 (2003) 4060–4069; doi:10.1021/om030452v

data_4062297
_publ_section_title
;
 Synthesis, Structure, and Properties of Magnesocene Amine Adducts.
 Structural Distortions Arising from N-H&#x00B7;&#x00B7;&#x00B7;C~5~H~5~^-^
 Hydrogen Bonding and Molecular Orbital Calculations Thereof
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4060
_journal_page_last               4069
_journal_paper_doi               10.1021/om030452v
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C20 H25 Mg N'
_chemical_formula_weight         303.72
_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                79.116(3)
_cell_angle_beta                 89.416(3)
_cell_angle_gamma                80.735(3)
_cell_formula_units_Z            2
_cell_length_a                   7.7678(13)
_cell_length_b                   7.8924(14)
_cell_length_c                   15.083(3)
_cell_measurement_temperature    295(2)
_cell_volume                     896.0(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.126
_cod_database_code               4062297
Synthesis, Structure, and Properties of Magnesocene Amine Adducts. Structural Distortions Arising from N-H···C~5~H~5~^-^ Hydrogen Bonding and Molecular Orbital Calculations Thereof
Xia, Aibing; Knox, John E.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.; Organometallics 22 (2003) 4060–4069; doi:10.1021/om030452v

data_4062298
_publ_section_title
;
 Synthesis, Structure, and Properties of Magnesocene Amine Adducts.
 Structural Distortions Arising from N-H&#x00B7;&#x00B7;&#x00B7;C~5~H~5~^-^
 Hydrogen Bonding and Molecular Orbital Calculations Thereof
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4060
_journal_page_last               4069
_journal_paper_doi               10.1021/om030452v
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C24 H28 Mg N2'
_chemical_formula_weight         368.79
_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                 119.418(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.648(9)
_cell_length_b                   11.527(4)
_cell_length_c                   16.783(5)
_cell_measurement_temperature    295(2)
_cell_volume                     4322(2)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.134
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062298
Tunable Donor-Acceptor Interactions in 4-Ene/Yne-Ferrocenyl and 4-Enamine Naphthalimides with Ferrocenyl Headgroups
McAdam, C. John; Morgan, Joy L.; Robinson, Brian H.; Simpson, Jim; Rieger, Philip H.; Rieger, Anne L.; Organometallics 22 (2003) 5126–5136; doi:10.1021/om0304659

data_4062299
_publ_section_title
;
 Tunable Donor-Acceptor Interactions in 4-Ene/Yne-Ferrocenyl and
 4-Enamine Naphthalimides with Ferrocenyl Headgroups
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5126
_journal_page_last               5136
_journal_paper_doi               10.1021/om0304659
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C28 H26 Fe N2 O2'
_chemical_formula_sum            'C28 H26 Fe N2 O2'
_chemical_formula_weight         478.36
_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                101.584(4)
_cell_angle_beta                 94.022(4)
_cell_angle_gamma                91.813(4)
_cell_formula_units_Z            2
_cell_length_a                   7.654(2)
_cell_length_b                   10.030(3)
_cell_length_c                   14.447(4)
_cell_measurement_temperature    163(2)
_cell_volume                     1082.6(6)
_diffrn_ambient_temperature      168(2)
_exptl_crystal_density_diffrn    1.467
_cod_database_code               4062299
Tunable Donor-Acceptor Interactions in 4-Ene/Yne-Ferrocenyl and 4-Enamine Naphthalimides with Ferrocenyl Headgroups
McAdam, C. John; Morgan, Joy L.; Robinson, Brian H.; Simpson, Jim; Rieger, Philip H.; Rieger, Anne L.; Organometallics 22 (2003) 5126–5136; doi:10.1021/om0304659

data_4062300
_publ_section_title
;
 Tunable Donor-Acceptor Interactions in 4-Ene/Yne-Ferrocenyl and
 4-Enamine Naphthalimides with Ferrocenyl Headgroups
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5126
_journal_page_last               5136
_journal_paper_doi               10.1021/om0304659
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C35 H25 Fe2 N O2'
_chemical_formula_sum            'C35 H25 Fe2 N O2'
_chemical_formula_weight         603.26
_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                73.045(3)
_cell_angle_beta                 65.042(3)
_cell_angle_gamma                62.258(3)
_cell_formula_units_Z            2
_cell_length_a                   11.352(3)
_cell_length_b                   11.451(3)
_cell_length_c                   12.164(3)
_cell_measurement_temperature    163(2)
_cell_volume                     1259.8(6)
_diffrn_ambient_temperature      163(2)
_exptl_crystal_density_diffrn    1.590
_cod_database_code               4062300
Unsymmetrically Bridging Aryls of Iridium
Muldoon, John; Brown, Seth N.; Organometallics 22 (2003) 4480–4489; doi:10.1021/om0304816

data_4062301
_publ_section_title
;
 Unsymmetrically Bridging Aryls of Iridium
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4480
_journal_page_last               4489
_journal_paper_doi               10.1021/om0304816
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         (cod)BrIr(mu,sigma,pi-C6H2Me3)Ir(cod)
_chemical_formula_sum            'C25 H35 Br Ir2'
_chemical_formula_weight         799.84
_chemical_name_common
(1,5-cyclooctadiene)bromoiridium(I)(mu,sigma,pi-2,4,6-trimethylphenyl)(1,5-cyc
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.942(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.383(2)
_cell_length_b                   21.473(2)
_cell_length_c                   14.5907(10)
_cell_measurement_temperature    293(2)
_cell_volume                     4697.1(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.262
_refine_ls_R_factor_obs          0.0516
_refine_ls_wR_factor_obs         0.1187
_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               4062301
Unsymmetrically Bridging Aryls of Iridium
Muldoon, John; Brown, Seth N.; Organometallics 22 (2003) 4480–4489; doi:10.1021/om0304816

data_4062302
_publ_section_title
;
 Unsymmetrically Bridging Aryls of Iridium
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4480
_journal_page_last               4489
_journal_paper_doi               10.1021/om0304816
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         (cod)BrIr(mu,sigma,pi-C6H2Me3)Ir(cod)
_chemical_formula_sum            'C24 H33 Br Ir2'
_chemical_formula_weight         785.81
_chemical_name_common
(1,5-cyclooctadiene)bromoiridium(I)(mu,sigma,pi-2,6-dimethylphenyl)(1,5-cycloo
_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                 105.67(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.815(2)
_cell_length_b                   20.328(3)
_cell_length_c                   14.534(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2223.2(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.348
_refine_ls_R_factor_obs          0.0415
_refine_ls_wR_factor_obs         0.1076
_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               4062302
Unsymmetrically Bridging Aryls of Iridium
Muldoon, John; Brown, Seth N.; Organometallics 22 (2003) 4480–4489; doi:10.1021/om0304816

data_4062303
_publ_section_title
;
 Unsymmetrically Bridging Aryls of Iridium
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4480
_journal_page_last               4489
_journal_paper_doi               10.1021/om0304816
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         BrIr(CO)2(mu,sigma,pi-C6H2Me3)Ir(cod)
_chemical_formula_sum            'C19 H23 Br Ir2 O2'
_chemical_formula_weight         747.68
_chemical_name_common
bromodicarbonyliridium(I)(mu,sigma,pi-2,4,6-trimethylphenyl)(1,5-cyclooctadien
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.1633(11)
_cell_length_b                   14.7640(11)
_cell_length_c                   18.7081(14)
_cell_measurement_temperature    293(2)
_cell_volume                     3912.0(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.539
_refine_ls_R_factor_obs          0.0366
_refine_ls_wR_factor_obs         0.0886
_cod_database_code               4062303
Unsymmetrically Bridging Aryls of Iridium
Muldoon, John; Brown, Seth N.; Organometallics 22 (2003) 4480–4489; doi:10.1021/om0304816

data_4062304
_publ_section_title
;
 Unsymmetrically Bridging Aryls of Iridium
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4480
_journal_page_last               4489
_journal_paper_doi               10.1021/om0304816
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety
(2,6-Me2C6H3)Ir(CO)2(mu,sigma,pi-2,6-Me2C6H3)Ir(cod)
_chemical_formula_sum            'C26 H30 Ir2 O2'
_chemical_formula_weight         758.90
_chemical_name_common
dicarbonyl(2,6-dimethylphenyl)iridium(I)(mu,sigma,pi-2,6-dimethylphenyl)(1,5-c
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.2533(6)
_cell_length_b                   14.6197(6)
_cell_length_c                   21.3585(8)
_cell_measurement_temperature    170(2)
_cell_volume                     4450.7(3)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    2.265
_refine_ls_R_factor_obs          0.0232
_refine_ls_wR_factor_obs         0.0617
_cod_database_code               4062304
Unsymmetrically Bridging Aryls of Iridium
Muldoon, John; Brown, Seth N.; Organometallics 22 (2003) 4480–4489; doi:10.1021/om0304816

data_4062305
_publ_section_title
;
 Unsymmetrically Bridging Aryls of Iridium
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4480
_journal_page_last               4489
_journal_paper_doi               10.1021/om0304816
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         BrI2Ir(CO)2(mu,sigma,pi-C6H3Me2)Ir(cod)
_chemical_formula_sum            'C18 H21 Br I2 Ir2 O2'
_chemical_formula_weight         987.46
_chemical_name_common
bromodiiododicarbonyliridium(III)(mu,sigma,pi-2,6-dimethylphenyl)(1,5-cyclooct
_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                 92.5990(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1441(3)
_cell_length_b                   15.8388(6)
_cell_length_c                   15.0766(6)
_cell_measurement_temperature    170(2)
_cell_volume                     2181.32(14)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    3.007
_refine_ls_R_factor_obs          0.0376
_refine_ls_wR_factor_obs         0.0873
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062305
Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with Ruthenium and Osmium Carbonyl Complexes
Haukka, Matti; Da Costa, Philippe; Luukkanen, Saija; Organometallics 22 (2003) 5137–5140; doi:10.1021/om030488n

data_4062306
_publ_section_title
;
 Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with
 Ruthenium and Osmium Carbonyl Complexes
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5137
_journal_page_last               5140
_journal_paper_doi               10.1021/om030488n
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C24 H16 N6 O4 Ru2'
_chemical_formula_weight         654.57
_chemical_name_common            Ru2(dpa)2(CO)4
_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                 91.5590(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.18300(10)
_cell_length_b                   12.37700(10)
_cell_length_c                   16.4926(2)
_cell_measurement_temperature    150(2)
_cell_volume                     2281.93(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.905
_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               4062306
Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with Ruthenium and Osmium Carbonyl Complexes
Haukka, Matti; Da Costa, Philippe; Luukkanen, Saija; Organometallics 22 (2003) 5137–5140; doi:10.1021/om030488n

data_4062307
_publ_section_title
;
 Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with
 Ruthenium and Osmium Carbonyl Complexes
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5137
_journal_page_last               5140
_journal_paper_doi               10.1021/om030488n
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C24 H16 N6 O4 Os2'
_chemical_formula_weight         832.83
_chemical_name_common            Os2(dpa)2(CO)4
_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                 91.9150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1852(2)
_cell_length_b                   12.3410(3)
_cell_length_c                   16.4673(5)
_cell_measurement_temperature    150(2)
_cell_volume                     2271.82(10)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.435
_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               4062307
Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with Ruthenium and Osmium Carbonyl Complexes
Haukka, Matti; Da Costa, Philippe; Luukkanen, Saija; Organometallics 22 (2003) 5137–5140; doi:10.1021/om030488n

data_4062308
_publ_section_title
;
 Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with
 Ruthenium and Osmium Carbonyl Complexes
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5137
_journal_page_last               5140
_journal_paper_doi               10.1021/om030488n
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C12 H9 Cl2 N3 O2 Ru'
_chemical_formula_weight         399.19
_chemical_name_common            cis(CO),cis(Cl)-[Ru(Hdpa)(CO)2Cl2]
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5913(2)
_cell_length_b                   14.0646(4)
_cell_length_c                   12.6816(4)
_cell_measurement_temperature    120(2)
_cell_volume                     1354.00(7)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.958
_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               4062308