LMucko/crystallography-open-database huggingface dataset:
Reactivity of a Phosphido-Niobocene Derivative toward CS2 and Alkyl Halides to Give Phosphinodithioformato- and Phosphino-Niobocene Complexes: X-ray Crystal Structures of [Nb(η5-C5H4SiMe3)2(κ1-S-SC(S)(PPh2))(CO)] and [Nb(η5-C5H4SiMe3)2(P(I)Ph2)(CO)]I3
Antiñolo, Antonio; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena; Organometallics 25 (2006) 1310–1316; doi:10.1021/om051013u

data_4060937
_publ_section_title
;
 Reactivity of a Phosphido-Niobocene Derivative toward CS2 and Alkyl
 Halides to Give Phosphinodithioformato- and Phosphino-Niobocene
 Complexes: X-ray Crystal Structures of
 [Nb(\h5-C5H4SiMe3)2(\k1-S-SC(S)(PPh2))(CO)] and
 [Nb(\h5-C5H4SiMe3)2(P(I)Ph2)(CO)]I3
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1310
_journal_page_last               1316
_journal_paper_doi               10.1021/om051013u
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C29 H36 I4 Nb O P Si2'
_chemical_formula_weight         1088.24
_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                81.77(2)
_cell_angle_beta                 78.420(10)
_cell_angle_gamma                72.220(10)
_cell_formula_units_Z            2
_cell_length_a                   11.6080(10)
_cell_length_b                   12.194(5)
_cell_length_c                   14.197(2)
_cell_measurement_temperature    230(2)
_cell_volume                     1867.4(8)
_diffrn_ambient_temperature      230(2)
_exptl_crystal_density_diffrn    1.935
_cod_duplicate_entry             4074931
_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               4060937
Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium
Downing, Stephen P.; Danopoulos, Andreas A.; Organometallics 25 (2006) 1337–1340; doi:10.1021/om051017z

data_4060938
_publ_section_title
;
 Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of
 Titanium and Vanadium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1337
_journal_page_last               1340
_journal_paper_doi               10.1021/om051017z
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C30 H31 K N2, C6 H6'
_chemical_formula_sum            'C36 H37 K N2'
_chemical_formula_weight         536.77
_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                 92.220(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.531(7)
_cell_length_b                   13.027(4)
_cell_length_c                   23.378(8)
_cell_measurement_temperature    120(2)
_cell_volume                     6248(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.141
_cod_duplicate_entry             4074936
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060938
Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium
Downing, Stephen P.; Danopoulos, Andreas A.; Organometallics 25 (2006) 1337–1340; doi:10.1021/om051017z

data_4060939
_publ_section_title
;
 Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of
 Titanium and Vanadium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1337
_journal_page_last               1340
_journal_paper_doi               10.1021/om051017z
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C32 H37 Cl N3 Ti'
_chemical_formula_sum            'C32 H37 Cl N3 Ti'
_chemical_formula_weight         547.00
_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                73.535(9)
_cell_angle_beta                 86.508(7)
_cell_angle_gamma                71.966(7)
_cell_formula_units_Z            2
_cell_length_a                   8.3495(6)
_cell_length_b                   10.7139(13)
_cell_length_c                   16.8282(19)
_cell_measurement_temperature    120(2)
_cell_volume                     1372.1(2)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.324
_cod_duplicate_entry             4074937
_cod_database_code               4060939
Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium
Downing, Stephen P.; Danopoulos, Andreas A.; Organometallics 25 (2006) 1337–1340; doi:10.1021/om051017z

data_4060940
_publ_section_title
;
 Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of
 Titanium and Vanadium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1337
_journal_page_last               1340
_journal_paper_doi               10.1021/om051017z
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C28 H35 Br N3 V'
_chemical_formula_sum            'C28 H35 Br N3 V'
_chemical_formula_weight         544.44
_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                100.63(8)
_cell_angle_beta                 97.83(4)
_cell_angle_gamma                105.38(5)
_cell_formula_units_Z            2
_cell_length_a                   8.208(4)
_cell_length_b                   9.877(6)
_cell_length_c                   17.305(10)
_cell_measurement_temperature    120(2)
_cell_volume                     1303.8(13)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.387
_cod_duplicate_entry             4074938
_cod_database_code               4060940
Reaction Mechanism of Transmetalation between Tetraorganostannanes and Platinum(II) Aryltriflate Complexes. Mechanistic Model for Stille Couplings
Nilsson, Patrik; Puxty, Graeme; Wendt, Ola F.; Organometallics 25 (2006) 1285–1292; doi:10.1021/om051021a

data_4060941
_publ_section_title
;
 Reaction Mechanism of Transmetalation between Tetraorganostannanes and
 Platinum(II) Aryltriflate Complexes. Mechanistic Model for Stille
 Couplings
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1285
_journal_page_last               1292
_journal_paper_doi               10.1021/om051021a
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C46 H58 F6 O8 P4 Pt2 S2'
_chemical_formula_weight         1431.10
_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                 110.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.078(5)
_cell_length_b                   13.604(3)
_cell_length_c                   18.511(4)
_cell_measurement_temperature    293(2)
_cell_volume                     5930(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.603
_cod_duplicate_entry             4074939
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4060941
Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity
Cao, Changsheng; Wang, Tongen; Patrick, Brian O.; Love, Jennifer A.; Organometallics 25 (2006) 1321–1324; doi:10.1021/om0510268

data_4060942
_publ_section_title
;
 Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1321
_journal_page_last               1324
_journal_paper_doi               10.1021/om0510268
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C33 H37 B N6 P Rh'
_chemical_formula_weight         662.38
_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                 104.394(4)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   10.1710(9)
_cell_length_b                   16.2330(18)
_cell_length_c                   19.984(2)
_cell_measurement_temperature    173(2)
_cell_volume                     3195.9(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.377
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060942
Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity
Cao, Changsheng; Wang, Tongen; Patrick, Brian O.; Love, Jennifer A.; Organometallics 25 (2006) 1321–1324; doi:10.1021/om0510268

data_4060943
_publ_section_title
;
 Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1321
_journal_page_last               1324
_journal_paper_doi               10.1021/om0510268
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C43 H46 B N6 O P Rh'
_chemical_formula_weight         807.55
_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                 93.261(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.701(2)
_cell_length_b                   13.1600(10)
_cell_length_c                   29.070(3)
_cell_measurement_temperature    173(2)
_cell_volume                     7524.6(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.426
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4060943
Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity
Cao, Changsheng; Wang, Tongen; Patrick, Brian O.; Love, Jennifer A.; Organometallics 25 (2006) 1321–1324; doi:10.1021/om0510268

data_4060944
_publ_section_title
;
 Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1321
_journal_page_last               1324
_journal_paper_doi               10.1021/om0510268
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C38 H43 B N6 O2 P Rh'
_chemical_formula_weight         760.47
_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                76.493(4)
_cell_angle_beta                 80.728(4)
_cell_angle_gamma                87.572(4)
_cell_formula_units_Z            2
_cell_length_a                   9.5855(12)
_cell_length_b                   12.3351(14)
_cell_length_c                   16.064(2)
_cell_measurement_temperature    173(2)
_cell_volume                     1822.7(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.386
_cod_database_code               4060944
Formation of a Vinyliminium Palladium Complex by C‒C Coupling in Vinylcarbene Palladium Aryl Complexes
Albéniz, Ana C.; Espinet, Pablo; Pérez-Mateo, Alberto; Nova, Ainara; Ujaque, Gregori; Organometallics 25 (2006) 1293–1297; doi:10.1021/om051028s

data_4060945
_publ_section_title
;
 Formation of a Vinyliminium Palladium Complex by C--C Coupling in
 Vinylcarbene Palladium Aryl Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1293
_journal_page_last               1297
_journal_paper_doi               10.1021/om051028s
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C37 H32 Br F5 N P Pd'
_chemical_formula_weight         802.92
_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                 114.285(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.564(19)
_cell_length_b                   13.982(10)
_cell_length_c                   22.082(17)
_cell_measurement_temperature    298(2)
_cell_volume                     6913(9)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.543
_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               4060945
Formation of a Vinyliminium Palladium Complex by C–C Coupling in Vinylcarbene Palladium Aryl Complexes
Albéniz, Ana C.; Espinet, Pablo; Pérez-Mateo, Alberto; Nova, Ainara; Ujaque, Gregori; Organometallics 25 (2006) 1293–1297; doi:10.1021/om051028s

data_4060946
_publ_section_title
;
 Formation of a Vinyliminium Palladium Complex by C--C Coupling in
 Vinylcarbene Palladium Aryl Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1293
_journal_page_last               1297
_journal_paper_doi               10.1021/om051028s
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C19 H17 B F9 N'
_chemical_formula_weight         441.15
_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                 101.959(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4482(14)
_cell_length_b                   9.7122(11)
_cell_length_c                   18.454(2)
_cell_measurement_temperature    302(2)
_cell_volume                     2007.3(4)
_diffrn_ambient_temperature      302(2)
_exptl_crystal_density_diffrn    1.460
_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               4060946
Formation of a Vinyliminium Palladium Complex by C‒C Coupling in Vinylcarbene Palladium Aryl Complexes
Albéniz, Ana C.; Espinet, Pablo; Pérez-Mateo, Alberto; Nova, Ainara; Ujaque, Gregori; Organometallics 25 (2006) 1293–1297; doi:10.1021/om051028s

data_4060947
_publ_section_title
;
 Formation of a Vinyliminium Palladium Complex by C--C Coupling in
 Vinylcarbene Palladium Aryl Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1293
_journal_page_last               1297
_journal_paper_doi               10.1021/om051028s
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C38 H34 Br Cl2 F5 N P Pd'
_chemical_formula_weight         887.84
_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                 102.071(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.260(6)
_cell_length_b                   10.656(2)
_cell_length_c                   22.798(5)
_cell_measurement_temperature    298(2)
_cell_volume                     7664(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.539
_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               4060947
New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group
Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique; Organometallics 25 (2006) 1448–1460; doi:10.1021/om051031b

data_4060948
_publ_section_title
;
 New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV)
 Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether
 Substituent: Behavior and Influence in the Hydroamination of
 Alkynes of the Ether Group
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1448
_journal_page_last               1460
_journal_paper_doi               10.1021/om051031b
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C9 H14 Cl2 O Ti'
_chemical_formula_weight         257.00
_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                 109.0610(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.8794(6)
_cell_length_b                   9.2704(8)
_cell_length_c                   9.0919(8)
_cell_measurement_temperature    100(2)
_cell_volume                     548.04(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.557
_cod_duplicate_entry             4074940
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4060948
New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group
Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique; Organometallics 25 (2006) 1448–1460; doi:10.1021/om051031b

data_4060949
_publ_section_title
;
 New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV)
 Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether
 Substituent: Behavior and Influence in the Hydroamination of
 Alkynes of the Ether Group
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1448
_journal_page_last               1460
_journal_paper_doi               10.1021/om051031b
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C10 H17 Cl O Ti'
_chemical_formula_weight         236.59
_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                 103.666(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.4633(6)
_cell_length_b                   11.2428(9)
_cell_length_c                   13.7705(11)
_cell_measurement_temperature    100(2)
_cell_volume                     1122.75(16)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.400
_cod_duplicate_entry             4074941
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060949
New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group
Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique; Organometallics 25 (2006) 1448–1460; doi:10.1021/om051031b

data_4060950
_publ_section_title
;
 New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV)
 Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether
 Substituent: Behavior and Influence in the Hydroamination of
 Alkynes of the Ether Group
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1448
_journal_page_last               1460
_journal_paper_doi               10.1021/om051031b
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C26 H26 O Ti'
_chemical_formula_weight         402.37
_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                 93.739(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.071(2)
_cell_length_b                   9.8025(15)
_cell_length_c                   15.986(2)
_cell_measurement_temperature    100(2)
_cell_volume                     2044.0(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.308
_cod_duplicate_entry             4074942
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060950