LMucko/crystallography-open-database huggingface dataset:
Lee, Hon Man; Chiu, Ping Ling; Organometallics  (2005) –; doi:10.1021/om050224w

data_4061503
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050224w
_journal_year                    2005
_chemical_formula_moiety         'C19 H18 N6 Pd, 2(F6 P)'
_chemical_formula_sum            'C19 H18 F12 N6 P2 Pd'
_chemical_formula_weight         726.73
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.217(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4644(7)
_cell_length_b                   20.9138(16)
_cell_length_c                   13.8292(8)
_cell_measurement_temperature    150(2)
_cell_volume                     2437.9(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.980
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061503
Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes Containing a Phosphine‒N-Heterocyclic Carbene Ligand
Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter; Organometallics 24 (2005) 4241–4250; doi:10.1021/om050235p

data_4061504
_publ_section_title
;
Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes 
Containing a Phosphine--N-Heterocyclic Carbene Ligand
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4241
_journal_page_last               4250
_journal_paper_doi               10.1021/om050235p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C51 H53 B Cl2 N2 P Rh'
_chemical_formula_weight         909.54
_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                 95.351(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4557(18)
_cell_length_b                   15.478(3)
_cell_length_c                   29.805(6)
_cell_measurement_temperature    150(2)
_cell_volume                     4343.1(14)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.391
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061504
Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes Containing a Phosphine‒N-Heterocyclic Carbene Ligand
Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter; Organometallics 24 (2005) 4241–4250; doi:10.1021/om050235p

data_4061505
_publ_section_title
;
Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes 
Containing a Phosphine--N-Heterocyclic Carbene Ligand
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4241
_journal_page_last               4250
_journal_paper_doi               10.1021/om050235p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C51 H53 B Cl2 Ir N2 P'
_chemical_formula_weight         998.83
_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                 95.295(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.456(2)
_cell_length_b                   15.486(3)
_cell_length_c                   29.798(6)
_cell_measurement_temperature    150(2)
_cell_volume                     4344.7(16)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.527
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061505
Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes Containing a Phosphine‒N-Heterocyclic Carbene Ligand
Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter; Organometallics 24 (2005) 4241–4250; doi:10.1021/om050235p

data_4061506
_publ_section_title
;
Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes 
Containing a Phosphine--N-Heterocyclic Carbene Ligand
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4241
_journal_page_last               4250
_journal_paper_doi               10.1021/om050235p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C51 H51 B Ir N2 O P'
_chemical_formula_weight         941.92
_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                 99.314(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.559(3)
_cell_length_b                   14.696(3)
_cell_length_c                   17.164(3)
_cell_measurement_temperature    150(2)
_cell_volume                     4121.9(13)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.518
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061506
; Organometallics  (2005) –; doi:10.1021/om050237+

data_4061507
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050237+
_journal_year                    2005
_chemical_formula_sum            'C24 H24 As N O'
_chemical_formula_weight         417.36
_chemical_melting_point          93.5(5)
_chemical_name_common
(S)-(-)-2-(2-diphenylarsino)phenyl)-4-(isopropyl)oxazolin
_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                   9.2413(5)
_cell_length_b                   14.7410(8)
_cell_length_c                   15.1499(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2063.81(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.343
_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 

The following automatic conversions were performed:

'_chemical_melting_point' value '93-94' was changed to '93.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4061507
; Organometallics  (2005) –; doi:10.1021/om050237+

data_4061508
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050237+
_journal_year                    2005
_chemical_formula_sum            'C24 H24 As Cl2 N O Pt'
_chemical_formula_weight         683.35
_chemical_name_common
Dichloro[(S)-2-(2-(diphenylarsino)phenyl)-4-(isopropyl)ox
_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                 112.380(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1250(8)
_cell_length_b                   12.9507(11)
_cell_length_c                   10.6275(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1288.58(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.761
_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'
_cod_database_code               4061508
; Organometallics  (2005) –; doi:10.1021/om050240t

data_4061509
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050240t
_journal_year                    2005
_chemical_formula_sum            'C62 H52 F6 N2 P3 Rh'
_chemical_formula_weight         1134.88
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.5710(10)
_cell_length_b                   18.5892(7)
_cell_length_c                   12.1020(5)
_cell_measurement_temperature    173(2)
_cell_volume                     6202.6(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.215
_cod_database_code               4061509
; Organometallics  (2005) –; doi:10.1021/om050251m

data_4061510
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050251m
_journal_year                    2005
_chemical_formula_moiety         'C46 H28 B F20 N2 O Pt'
_chemical_formula_sum            'C46 H28 B F20 N2 O Pt'
_chemical_formula_weight         1210.60
_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                 98.5320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8621(3)
_cell_length_b                   18.2176(4)
_cell_length_c                   20.7937(5)
_cell_measurement_temperature    100(2)
_cell_volume                     4443.77(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.810
_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               4061510
; Organometallics  (2005) –; doi:10.1021/om0502537

data_4061511
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0502537
_journal_year                    2005
_chemical_formula_moiety         'C24 H32 Cl2 N2 O6 P2 Rh2'
_chemical_formula_sum            'C24 H32 Cl2 N2 O6 P2 Rh2'
_chemical_formula_weight         783.18
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.799(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.642(2)
_cell_length_b                   13.640(1)
_cell_length_c                   14.790(1)
_cell_measurement_temperature    100(2)
_cell_volume                     2908.9(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.788
_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               4061511
; Organometallics  (2005) –; doi:10.1021/om0502537

data_4061512
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0502537
_journal_year                    2005
_chemical_formula_moiety         'C45 H64 Cl N4 O9 P4 Rh'
_chemical_formula_sum            'C45 H64 Cl N4 O9 P4 Rh'
_chemical_formula_weight         1067.24
_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                 96.607(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.774(2)
_cell_length_b                   11.105(1)
_cell_length_c                   32.790(4)
_cell_measurement_temperature    100(2)
_cell_volume                     4982.3(9)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.423
_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               4061512
; Organometallics  (2005) –; doi:10.1021/om050265s

data_4061513
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050265s
_journal_year                    2005
_chemical_formula_moiety         'C38 H52 O2 Si4'
_chemical_formula_sum            'C38 H52 O2 Si4'
_chemical_formula_weight         653.16
_chemical_melting_point          523.5(5)
_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                 91.957(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.048(4)
_cell_length_b                   9.9074(12)
_cell_length_c                   12.6181(15)
_cell_measurement_temperature    293(2)
_cell_volume                     3879.1(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.118
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '523-524' was changed to '523.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061513
; Organometallics  (2005) –; doi:10.1021/om050265s

data_4061514
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050265s
_journal_year                    2005
_chemical_formula_moiety         'C36 H52 O2 Si4 Sn2'
_chemical_formula_sum            'C36 H52 O2 Si4 Sn2'
_chemical_formula_weight         866.52
_chemical_melting_point          513.0(10)
_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                 96.152(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.1771(6)
_cell_length_b                   17.7623(16)
_cell_length_c                   17.1867(13)
_cell_measurement_temperature    293(2)
_cell_volume                     2178.4(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.321
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '512-514' was changed to '513.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061514
; Organometallics  (2005) –; doi:10.1021/om050269x

data_4061515
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050269x
_journal_year                    2005
_chemical_formula_sum            'C60 H88 O20 P4 Sn6'
_chemical_formula_weight         1965.32
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.5550(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.9713(7)
_cell_length_b                   15.6743(6)
_cell_length_c                   14.2523(6)
_cell_measurement_temperature    223(2)
_cell_volume                     3652.4(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.787
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4061515
; Organometallics  (2005) –; doi:10.1021/om050269x

data_4061516
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050269x
_journal_year                    2005
_chemical_formula_sum            'C63.5 H86 Cl6 O20 P4 Sn6'
_chemical_formula_weight         2218.04
_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                109.129(7)
_cell_angle_beta                 90.972(8)
_cell_angle_gamma                97.352(7)
_cell_formula_units_Z            2
_cell_length_a                   13.500(5)
_cell_length_b                   15.974(5)
_cell_length_c                   20.487(7)
_cell_measurement_temperature    223(2)
_cell_volume                     4132(2)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.783
_cod_original_formula_sum        'C63.50 H86 Cl6 O20 P4 Sn6'
_cod_database_code               4061516
; Organometallics  (2005) –; doi:10.1021/om050269x

data_4061517
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050269x
_journal_year                    2005
_chemical_formula_sum            'C63.5 H86 Br6 O20 P4 Sn6'
_chemical_formula_weight         2484.80
_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                109.5120(10)
_cell_angle_beta                 91.1720(10)
_cell_angle_gamma                97.4960(10)
_cell_formula_units_Z            2
_cell_length_a                   13.5706(7)
_cell_length_b                   16.0101(8)
_cell_length_c                   20.7547(11)
_cell_measurement_temperature    223(2)
_cell_volume                     4204.1(4)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.963
_cod_original_formula_sum        'C63.50 H86 Br6 O20 P4 Sn6'
_cod_database_code               4061517
; Organometallics  (2005) –; doi:10.1021/om050269x

data_4061518
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050269x
_journal_year                    2005
_chemical_formula_sum            'C36.5 H47 Cl I4 O11 P2 Sn3'
_chemical_formula_weight         1622.80
_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                81.3640(10)
_cell_angle_beta                 69.9810(10)
_cell_angle_gamma                62.3120(10)
_cell_formula_units_Z            2
_cell_length_a                   13.3902(7)
_cell_length_b                   14.2179(8)
_cell_length_c                   16.9005(10)
_cell_measurement_temperature    223(2)
_cell_volume                     2676.8(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    2.013
_cod_original_formula_sum        'C36.50 H47 Cl I4 O11 P2 Sn3'
_cod_database_code               4061518
; Organometallics  (2005) –; doi:10.1021/om0502887

data_4061519
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0502887
_journal_year                    2005
_chemical_formula_moiety         'C54 H53 Cl6 F3 N5 O6 Pt Re S'
_chemical_formula_sum            'C54 H53 Cl6 F3 N5 O6 Pt Re S'
_chemical_formula_weight         1551.06
_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                65.50(3)
_cell_angle_beta                 87.08(3)
_cell_angle_gamma                72.11(3)
_cell_formula_units_Z            2
_cell_length_a                   10.676(2)
_cell_length_b                   17.232(3)
_cell_length_c                   20.341(4)
_cell_measurement_temperature    253(2)
_cell_volume                     3227.9(10)
_diffrn_ambient_temperature      253(2)
_exptl_crystal_density_diffrn    1.596
_cod_database_code               4061519
; Organometallics  (2005) –; doi:10.1021/om0502887

data_4061520
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0502887
_journal_year                    2005
_chemical_formula_moiety         'C57 H52 F3 N8 O8 Pt Re S'
_chemical_formula_sum            'C57 H52 F3 N8 O8 Pt Re S'
_chemical_formula_weight         1447.42
_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                 102.89(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.738(3)
_cell_length_b                   14.944(3)
_cell_length_c                   28.052(6)
_cell_measurement_temperature    253(2)
_cell_volume                     6431(2)
_diffrn_ambient_temperature      253(2)
_exptl_crystal_density_diffrn    1.495
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061520