LMucko/crystallography-open-database huggingface dataset:
New Monoalkylated Pentalene Ligands
O'Hare, Dermot; Jones, Simon; Roussel, Paul; Hascall, Tony; Organometallics  (2006) –; doi:10.1021/om0507326

data_4060604
_publ_section_title
;
New Monoalkylated Pentalene Ligands
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0507326
_journal_year                    2006
_chemical_formula_moiety         'C16 H10 Mn2 O6'
_chemical_formula_sum            'C16 H10 Mn2 O6'
_chemical_formula_weight         408.12
_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
_cell_angle_beta                 91.8950(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.86320(10)
_cell_length_b                   11.32190(10)
_cell_length_c                   20.2280(4)
_cell_measurement_temperature    150(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     1570.95(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.726
_refine_diff_density_rms         0.055
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060604
New Monoalkylated Pentalene Ligands
O'Hare, Dermot; Jones, Simon; Roussel, Paul; Hascall, Tony; Organometallics  (2006) –; doi:10.1021/om0507326

data_4060605
_publ_section_title              'New Monoalkylated Pentalene Ligands'
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0507326
_journal_year                    2006
_chemical_formula_moiety         'C17 H12 Mn2 O6'
_chemical_formula_sum            'C17 H12 Mn2 O6'
_chemical_formula_weight         422.15
_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
_cell_angle_beta                 96.0030(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.4102(7)
_cell_length_b                   6.7355(2)
_cell_length_c                   14.2396(5)
_cell_measurement_temperature    150(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     1660.67(10)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.688
_refine_diff_density_rms         0.071
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060605
New Monoalkylated Pentalene Ligands
O'Hare, Dermot; Jones, Simon; Roussel, Paul; Hascall, Tony; Organometallics  (2006) –; doi:10.1021/om0507326

data_4060606
_publ_section_title
;
New Monoalkylated Pentalene Ligands
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0507326
_journal_year                    2006
_chemical_formula_moiety         'C15 H8 Mn2 O6'
_chemical_formula_sum            'C15 H8 Mn2 O6'
_chemical_formula_weight         394.10
_chemical_name_common            'scj 328'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.334(2)
_cell_angle_beta                 81.164(2)
_cell_angle_gamma                65.199(2)
_cell_formula_units_Z            2
_cell_length_a                   6.7712(2)
_cell_length_b                   7.5109(3)
_cell_length_c                   16.5455(5)
_cell_measurement_temperature    150(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     754.21(5)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.735
_refine_diff_density_rms         0.078
_cod_database_code               4060606
New Monoalkylated Pentalene Ligands
O'Hare, Dermot; Jones, Simon; Roussel, Paul; Hascall, Tony; Organometallics  (2006) –; doi:10.1021/om0507326

data_4060607
_publ_section_title
;
New Monoalkylated Pentalene Ligands
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0507326
_journal_year                    2006
_chemical_formula_moiety         'C11 H7 O3 Re1'
_chemical_formula_sum            'C11 H7 O3 Re'
_chemical_formula_weight         373.38
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.143(2)
_cell_angle_beta                 90.633(2)
_cell_angle_gamma                101.523(2)
_cell_formula_units_Z            2
_cell_length_a                   6.0714(2)
_cell_length_b                   6.8277(3)
_cell_length_c                   12.4527(5)
_cell_measurement_temperature    150(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     505.36(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.454
_cod_database_code               4060607
; Organometallics  (2006) –; doi:10.1021/om0507427

data_4060608
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0507427
_journal_year                    2006
_chemical_formula_sum            'C43 H49 F N4 O Ru'
_chemical_formula_weight         757.93
_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                   17.0670(3)
_cell_length_b                   19.2300(5)
_cell_length_c                   23.1870(5)
_cell_measurement_temperature    30(2)
_cell_volume                     7609.9(3)
_diffrn_ambient_temperature      30(2)
_exptl_crystal_density_diffrn    1.323
_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               4060608
; Organometallics  (2006) –; doi:10.1021/om0507427

data_4060609
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0507427
_journal_year                    2006
_chemical_formula_sum            'C44 H49 F N4 O2 Ru'
_chemical_formula_weight         785.94
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.758(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.6201(1)
_cell_length_b                   10.8135(1)
_cell_length_c                   20.8519(2)
_cell_measurement_temperature    150(2)
_cell_volume                     3975.49(6)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.313
_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/a'
_cod_database_code               4060609
; Organometallics  (2006) –; doi:10.1021/om0507427

data_4060610
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0507427
_journal_year                    2006
_chemical_formula_sum            'C43 H49 F N4 O Ru'
_chemical_formula_weight         757.93
_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                   17.0670(3)
_cell_length_b                   19.2300(5)
_cell_length_c                   23.1870(5)
_cell_measurement_temperature    150(2)
_cell_volume                     7609.9(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.328
_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 b c a"
_cod_database_code               4060610
Synthesis of Bis(germacyclopropa)benzenes and Structures of Thier Annelated Benzene Rings
Tomoyuki Tajima; Nobuhiro Takeda; Takahiro Sasamori; Tokitoh Norihiro; Takeshi Yoshida; Masaru Nakahara; Organometallics  (2006) –; doi:10.1021/om0507629

data_4060611
_publ_section_title
;
Synthesis of Bis(germacyclopropa)benzenes and
Structures of Thier Annelated Benzene Rings
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0507629
_journal_year                    2006
_chemical_formula_moiety         'C84 H154 Ge2 Si12'
_chemical_formula_sum            'C84 H154 Ge2 Si12'
_chemical_formula_weight         1646.33
_chemical_name_common            bisgermacyclopropabenzenecis
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_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                   12.833(2)
_cell_length_b                   16.0045(17)
_cell_length_c                   48.473(7)
_cell_measurement_temperature    103(2)
_cell_volume                     9956(2)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    1.098
_cod_database_code               4060611
Synthesis of Bis(germacyclopropa)benzenes and Structures of Their Annelated Benzene Rings
Tomoyuki Tajima; Nobuhiro Takeda; Takahiro Sasamori; Norihiro Tokitoh; Takeshi Yoshida; Masaru Nakahara; Organometallics  (2006) –; doi:10.1021/om0507629

data_4060612
_publ_section_title
;
  Synthesis of Bis(germacyclopropa)benzenes and
Structures of Their Annelated Benzene Rings
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0507629
_journal_year                    2006
_chemical_formula_moiety         'C84 H154 Ge2 Si12, C6 H14'
_chemical_formula_sum            'C90 H168 Ge2 Si12'
_chemical_formula_weight         1732.50
_chemical_name_common            bisgermacyclopropabenzenetrans
_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                 112.659(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.2827(14)
_cell_length_b                   43.085(2)
_cell_length_c                   17.3703(15)
_cell_measurement_temperature    103(2)
_cell_volume                     10554.8(15)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    1.090
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060612
Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)
Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.; Organometallics 25 (2006) 289–299; doi:10.1021/om050772+

data_4060613
_publ_section_title
;
 Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)
;
_journal_coden_ASTM              ORGND7
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              289
_journal_page_last               299
_journal_paper_doi               10.1021/om050772+
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety
' C35 H39 B N7 P Rh S3 +, Cl -, 2.53(C H Cl3), 0.3(H2 O) '
_chemical_formula_sum            'C37.53 H42.13 B Cl8.59 N7 O0.3 P Rh S3'
_chemical_formula_weight         1141.32
_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
_cell_angle_beta                 112.2130(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   42.9100(12)
_cell_length_b                   9.8725(2)
_cell_length_c                   27.4618(8)
_cell_measurement_temperature    200
_cell_volume                     10770.2(5)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.408
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        ' C37.53 H42.13 B Cl8.59 N7 O0.30 P Rh S3 '
_cod_database_code               4060613
Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)
Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.; Organometallics 25 (2006) 289–299; doi:10.1021/om050772+

data_4060614
_publ_section_title
;
 Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)
;
_journal_coden_ASTM              ORGND7
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              289
_journal_page_last               299
_journal_paper_doi               10.1021/om050772+
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         ' C39 H39 B N7 P Rh S3 +, Cl -, 3(C H Cl3) '
_chemical_formula_sum            'C42 H42 B Cl10 N7 P Rh S3'
_chemical_formula_weight         1240.26
_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                86.3691(10)
_cell_angle_beta                 73.2647(12)
_cell_angle_gamma                74.3865(13)
_cell_formula_units_Z            2
_cell_length_a                   10.8109(2)
_cell_length_b                   14.8035(3)
_cell_length_c                   18.0613(4)
_cell_measurement_temperature    200
_cell_volume                     2665.63(10)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.545
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_formula_sum        ' C42 H42 B Cl10 N7 P Rh S3 '
_cod_database_code               4060614
Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)
Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.; Organometallics 25 (2006) 289–299; doi:10.1021/om050772+

data_4060615
_publ_section_title
;
 Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)
;
_journal_coden_ASTM              ORGND7
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              289
_journal_page_last               299
_journal_paper_doi               10.1021/om050772+
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety
' 2(C18 H33 B N6 P2 Rh S3 +), 2(Cl -), 2(H2 O), C H Cl3, 0.5(C4 H10 O) '
_chemical_formula_sum            'C39 H76 B2 Cl5 N12 O2.5 P4 Rh2 S6'
_chemical_formula_weight         1474.06
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1802(2)
_cell_length_b                   21.9173(5)
_cell_length_c                   32.4110(8)
_cell_measurement_temperature    200
_cell_volume                     6521.3(3)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.502
_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 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        ' C39 H76 B2 Cl5 N12 O2.5 P4 Rh2 S6 '
_cod_database_code               4060615
Coleman, Karl; Organometallics  (2006) –; doi:10.1021/om050775m

data_4060616
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050775m
_journal_year                    2006
_chemical_formula_moiety         ' C20 H21 N3 '
_chemical_formula_sum            'C20 H21 N3'
_chemical_formula_weight         303.41
_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
_cell_angle_beta                 104.181(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.1279(15)
_cell_length_b                   5.8199(6)
_cell_length_c                   20.954(2)
_cell_measurement_temperature    150
_cell_volume                     1670.4(3)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.206
_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               4060616
; Organometallics  (2006) –; doi:10.1021/om050775m

data_4060617
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050775m
_journal_year                    2006
_chemical_formula_moiety         ' C20 H21 Cl2 N3 Pd1 '
_chemical_formula_sum            'C20 H21 Cl2 N3 Pd'
_chemical_formula_weight         480.71
_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
_cell_angle_beta                 98.8095(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2281(2)
_cell_length_b                   16.4845(4)
_cell_length_c                   11.6363(3)
_cell_measurement_temperature    150
_cell_volume                     1938.79(8)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.647
_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        'C20 H21 Cl2 N3 Pd1'
_cod_database_code               4060617
; Organometallics  (2006) –; doi:10.1021/om050775m

data_4060618
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050775m
_journal_year                    2006
_chemical_absolute_configuration ad
_chemical_formula_moiety         ' C23 H26 N3 Pd, F6 P '
_chemical_formula_sum            'C23 H26 F6 N3 P Pd'
_chemical_formula_weight         595.84
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   30.3999(10)
_cell_length_b                   31.8427(9)
_cell_length_c                   10.0134(3)
_cell_measurement_temperature    150
_cell_volume                     9693.1(5)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_thermal_history
;
The material was crystallised at ambient temperature. A suitable crystal
was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
;
_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_formula_sum        ' C23 H26 F6 N3 P Pd '
_cod_database_code               4060618
; Organometallics  (2006) –; doi:10.1021/om050775m

data_4060619
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050775m
_journal_year                    2006
_chemical_formula_moiety         ' C41 H42 N6 O Rh, 2(C H2 Cl2), Cl'
_chemical_formula_sum            'C43 H46 Cl5 N6 O Rh'
_chemical_formula_weight         943.05
_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
_cell_angle_beta                 110.6700(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5620(2)
_cell_length_b                   15.6420(3)
_cell_length_c                   19.9844(4)
_cell_measurement_temperature    150
_cell_volume                     4551.48(14)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.376
_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               4060619