LMucko/crystallography-open-database huggingface dataset:
Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene
Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.; Organometallics 24 (2005) 2645–2659; doi:10.1021/om0490379

data_4060337
_publ_section_title
;
Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic 
Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition 
Polymerization of Norbornene, the Oligomerization of Ethylene, 
and the Dimerization of Propylene
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2645
_journal_page_last               2659
_journal_paper_doi               10.1021/om0490379
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C33 H55 N5 Ni Si4'
_chemical_formula_weight         692.89
_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                 93.9240(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3360(2)
_cell_length_b                   12.1220(2)
_cell_length_c                   29.0420(5)
_cell_measurement_temperature    230.0(2)
_cell_volume                     3981.45(12)
_diffrn_ambient_temperature      230.0(2)
_exptl_crystal_density_diffrn    1.156
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060337
Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes
; Organometallics  (2005) –; doi:10.1021/om0490435

data_4060338
_publ_section_title
;
  Synthesis and Crystallographic Characterization of New Mn(I)
  Complexes of Donor-Functionalized Indenes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490435
_journal_year                    2005
_chemical_formula_sum            'C23.5 H30 Br Mn N O3 P'
_chemical_formula_weight         540.31
_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                 99.222(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3609(7)
_cell_length_b                   29.333(2)
_cell_length_c                   10.0818(8)
_cell_measurement_temperature    193(2)
_cell_volume                     2440.6(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.470
_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_original_formula_sum        'C23.50 H30 Br Mn N O3 P'
_cod_database_code               4060338
Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes
; Organometallics  (2005) –; doi:10.1021/om0490435

data_4060339
_publ_section_title
;
  Synthesis and Crystallographic Characterization of New Mn(I)
  Complexes of Donor-Functionalized Indenes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490435
_journal_year                    2005
_chemical_formula_sum            'C23.5 H30 Br Mn N O3 P'
_chemical_formula_weight         540.31
_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                 103.6339(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.5249(11)
_cell_length_b                   8.0752(6)
_cell_length_c                   20.4893(14)
_cell_measurement_temperature    193(2)
_cell_volume                     2496.3(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.438
_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_original_formula_sum        'C23.50 H30 Br Mn N O3 P'
_cod_database_code               4060339
Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes
; Organometallics  (2005) –; doi:10.1021/om0490435

data_4060340
_publ_section_title
;
  Synthesis and Crystallographic Characterization of New Mn(I)
  Complexes of Donor-Functionalized Indenes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490435
_journal_year                    2005
_chemical_formula_sum            'C23.5 H30 B F4 Mn N O3 P'
_chemical_formula_weight         547.21
_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                 93.4260(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   8.1918(6)
_cell_length_b                   15.2453(11)
_cell_length_c                   62.102(4)
_cell_measurement_temperature    193(2)
_cell_volume                     7741.8(10)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_meas      0
_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_original_formula_sum        'C23.50 H30 B F4 Mn N O3 P'
_cod_database_code               4060340
Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes
; Organometallics  (2005) –; doi:10.1021/om0490435

data_4060341
_publ_section_title
;
  Synthesis and Crystallographic Characterization of New Mn(I)
  Complexes of Donor-Functionalized Indenes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490435
_journal_year                    2005
_chemical_formula_sum            'C21 H26 F3 Mn N O6 P S'
_chemical_formula_weight         563.40
_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                 96.9755(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9460(5)
_cell_length_b                   14.3629(6)
_cell_length_c                   14.5832(6)
_cell_measurement_temperature    193(2)
_cell_volume                     2483.65(18)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.507
_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               4060341
Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes
; Organometallics  (2005) –; doi:10.1021/om0490435

data_4060342
_publ_section_title
;
  Synthesis and Crystallographic Characterization of New Mn(I)
  Complexes of Donor-Functionalized Indenes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490435
_journal_year                    2005
_chemical_formula_moiety         'C21 H26 Mn N O4 P, B F4'
_chemical_formula_sum            'C21 H26 B F4 Mn N O4 P'
_chemical_formula_weight         529.15
_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                 96.3604(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1358(4)
_cell_length_b                   19.1164(9)
_cell_length_c                   15.9808(7)
_cell_measurement_temperature    193(2)
_cell_volume                     2470.2(2)
_diffrn_ambient_temperature      193(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               4060342
Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes
; Organometallics  (2005) –; doi:10.1021/om0490435

data_4060343
_publ_section_title
;
  Synthesis and Crystallographic Characterization of New Mn(I)
  Complexes of Donor-Functionalized Indenes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490435
_journal_year                    2005
_chemical_formula_sum            'C20 H25 Mn N O3 P'
_chemical_formula_weight         413.32
_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                 108.4350(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0105(5)
_cell_length_b                   24.9564(14)
_cell_length_c                   9.4436(5)
_cell_measurement_temperature    193(2)
_cell_volume                     2014.60(19)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.363
_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               4060343
Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes
; Organometallics  (2005) –; doi:10.1021/om0490435

data_4060344
_publ_section_title
;
  Synthesis and Crystallographic Characterization of New Mn(I)
  Complexes of Donor-Functionalized Indenes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490435
_journal_year                    2005
_chemical_formula_sum            'C38.5 H44 Mn3 N O12 P2'
_chemical_formula_weight         939.51
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.7419(11)
_cell_angle_beta                 104.0872(11)
_cell_angle_gamma                96.4207(11)
_cell_formula_units_Z            2
_cell_length_a                   8.4223(6)
_cell_length_b                   16.2347(11)
_cell_length_c                   16.3562(11)
_cell_measurement_temperature    193(2)
_cell_volume                     2153.7(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.449
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C38.50 H44 Mn3 N O12 P2'
_cod_database_code               4060344
Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes
; Organometallics  (2005) –; doi:10.1021/om0490435

data_4060345
_publ_section_title
;
  Synthesis and Crystallographic Characterization of New Mn(I)
  Complexes of Donor-Functionalized Indenes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490435
_journal_year                    2005
_chemical_formula_sum            'C23 H34 Br Mn N O3 P Si'
_chemical_formula_weight         566.42
_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                 105.5220(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5389(7)
_cell_length_b                   18.9547(12)
_cell_length_c                   12.3557(8)
_cell_measurement_temperature    193(2)
_cell_volume                     2603.8(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.445
_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               4060345
Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes
; Organometallics  (2005) –; doi:10.1021/om0490435

data_4060346
_publ_section_title
;
  Synthesis and Crystallographic Characterization of New Mn(I)
  Complexes of Donor-Functionalized Indenes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490435
_journal_year                    2005
_chemical_formula_sum            'C14 H12 Mn N O3'
_chemical_formula_weight         297.19
_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                80.2151(8)
_cell_angle_beta                 81.6179(8)
_cell_angle_gamma                88.1763(8)
_cell_formula_units_Z            2
_cell_length_a                   6.9708(4)
_cell_length_b                   7.1061(4)
_cell_length_c                   13.3302(7)
_cell_measurement_temperature    193(2)
_cell_volume                     643.74(6)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.533
_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               4060346
Synthesis and Crystallographic Characterization of New Mn(I) Complexes of Donor-Functionalized Indenes
; Organometallics  (2005) –; doi:10.1021/om0490435

data_4060347
_publ_section_title
;
  Synthesis and Crystallographic Characterization of New Mn(I)
  Complexes of Donor-Functionalized Indenes
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490435
_journal_year                    2005
_chemical_formula_sum            'C28 H40 N2 Si2'
_chemical_formula_weight         460.80
_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                 95.5024(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4652(7)
_cell_length_b                   9.7079(6)
_cell_length_c                   24.6104(16)
_cell_measurement_temperature    193(2)
_cell_volume                     2726.6(3)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.123
_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               4060347
Synthesis and Characterization of a Dicationic Dihydrogen Complex of Iridium with a Bis-carbene Ligand Set
Vogl, Matthias; Pons, Vincent; Heinekey, D. Michael; Organometallics 24 (2005) 1832–1836; doi:10.1021/om049045p

data_4060348
_publ_section_title
;
Synthesis and Characterization of a Dicationic Dihydrogen Complex of 
Iridium with a Bis-carbene Ligand Set
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1832
_journal_page_last               1836
_journal_paper_doi               10.1021/om049045p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C9.5 H13.5 Cl0.5 F3 Ir0.5 N2 P0.5'
_chemical_formula_weight         342.03
_chemical_name_common            Ir-Cl
_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            8
_cell_length_a                   13.1270(2)
_cell_length_b                   12.6480(2)
_cell_length_c                   13.7450(3)
_cell_measurement_temperature    130(2)
_cell_volume                     2282.09(7)
_diffrn_ambient_temperature      130(2)
_exptl_crystal_density_diffrn    1.991
_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_original_sg_symbol_H-M      'P m n a'
_cod_original_formula_sum        'C9.50 H13.50 Cl0.50 F3 Ir0.50 N2 P0.50'
_cod_database_code               4060348
Synthesis and Characterization of a Dicationic Dihydrogen Complex of Iridium with a Bis-carbene Ligand Set
Vogl, Matthias; Pons, Vincent; Heinekey, D. Michael; Organometallics 24 (2005) 1832–1836; doi:10.1021/om049045p

data_4060349
_publ_section_title
;
Synthesis and Characterization of a Dicationic Dihydrogen Complex of 
Iridium with a Bis-carbene Ligand Set
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1832
_journal_page_last               1836
_journal_paper_doi               10.1021/om049045p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C19 H27 I Ir N4, F6 P'
_chemical_formula_sum            'C19 H27 F6 I Ir N4 P'
_chemical_formula_weight         775.54
_chemical_name_common            Ir-I
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_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                   13.9510(8)
_cell_length_b                   12.2730(8)
_cell_length_c                   13.8420(10)
_cell_measurement_temperature    130(2)
_cell_volume                     2370.0(3)
_diffrn_ambient_temperature      130(2)
_exptl_crystal_density_diffrn    2.173
_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_original_sg_symbol_Hall     '-P 2ac 2n '
_cod_database_code               4060349
Transmetalation of Aryl Units from Gold(I) to Cobalt(III), A Clean Route to the Synthesis of Anion Cobaltoreceptors
Mike Robitzer; Imenne Bouamaied; Claude Sirlin; Preston A. Chase; Gerard van Koten; Michel Pfeffer; Organometallics  (2005) –; doi:10.1021/om0490482

data_4060350
_publ_section_title
;
Transmetalation of Aryl Units from Gold(I) to Cobalt(III),
A Clean Route to the Synthesis of Anion Cobaltoreceptors
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0490482
_journal_year                    2005
_chemical_formula_moiety         'C21 H33 Cl Co F6 N2 P'
_chemical_formula_sum            'C21 H33 Cl Co F6 N2 P'
_chemical_formula_weight         552.86
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.2005(3)
_cell_length_b                   20.7594(5)
_cell_length_c                   16.4489(6)
_cell_measurement_temperature    173
_cell_volume                     4849.0(4)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.51
_cod_database_code               4060350