Crystallography Open Database

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Searching space group like 'P b 21 a'

COD ID: 1000113
CIF file Formula: - H5 N O6 P V -
Comments: Amoros, P; Le Bail, A Synthesis and crystal structure of $-alpha-NH~4~(VO~2~)(HPO~4~) Journal of Solid State Chemistry 97 (1992) 283-291
Space group: P b 21 a
Cell volume: 556
Cell parameters: 6.83; 9.233; 8.817; 90; 90; 90;  

COD ID: 2002896
CIF file

Original IUCr paper

 Formula: - Al1.15 Na1.15 O4 Si0.85 -
Comments: Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures Acta Crystallographica Section B 54(5) (1998) 531-546
Space group: P b 21 a
Cell volume: 1497.8
Cell parameters: 10.214; 14.226; 10.308; 90; 90; 90;  

COD ID: 2019454
CIF file

HKL data

Original IUCr paper

 Formula: - C18 H19 N3 O3 -
Comments: Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Belyakov, Sergey Cinnamic acid hydrogen bonds to isoniazid and <i>N</i>'-(propan-2-ylidene)isonicotinohydrazide, an <i>in situ</i> reaction product of isoniazid and acetone Acta Crystallographica Section C 70(4) (2014) 392-395
Space group: P b 21 a
Cell volume: 1696.5
Cell parameters: 8.8818; 21.0445; 9.0764; 90; 90; 90;  

COD ID: 2100988
CIF file

Original IUCr paper

 Formula: - Al Na O4 Si -
Comments: Withers, R. L.; Thompson, J. G. Modulation wave approach to the structural parameterization and Rietveld refinement of low carnegieite Acta Crystallographica Section B 49(4) (1993) 614-626
Space group: P b 21 a
Cell volume: 742.354
Cell parameters: 10.261; 14.03; 5.1566; 90; 90; 90;  

COD ID: 2102639
CIF file

Original IUCr paper

 Formula: - C11 H20 N2 -
Comments: Sobolev, Alexandre N.; White, Allan H. Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K Acta Crystallographica Section B 60(5) (2004) 621-625
Space group: P b 21 a
Cell volume: 4548
Cell parameters: 11.279; 20.634; 19.542; 90; 90; 90;  

COD ID: 2102640
CIF file

Original IUCr paper

 Formula: - C11 H20 N2 -
Comments: Sobolev, Alexandre N.; White, Allan H. Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K Acta Crystallographica Section B 60(5) (2004) 621-625
Space group: P b 21 a
Cell volume: 4630
Cell parameters: 11.366; 20.654; 19.723; 90; 90; 90;  

COD ID: 2106744
CIF file Formula: - Mo4.65 O14 Ta0.35 -
Comments: Yamazoe, N.; Kihlborg, L. Mo5 O14 - twinning and three-dimensional structure, determined from a partly tantalum-substituted crystal Acta Crystallographica B (24,1968-38,1982) 31 (1975) 1666-1672
Space group: P b 21 a
Cell volume: 4187.62
Cell parameters: 45.75; 22.87; 4.0023; 90; 90; 90;  

COD ID: 2107323
CIF file Formula: - Cr Er2 S4 -
Comments: Tomas, A.; Chevalier, R.; Laruelle, P.; Bachet, B. Structure cristalline de Cr Er2 S4 Acta Crystallographica B (24,1968-38,1982) 32 (1976) 3287-3289
Space group: P b 21 a
Cell volume: 1180.88
Cell parameters: 12.555; 12.481; 7.536; 90; 90; 90;  

COD ID: 2108283
CIF file

HKL data

 Formula: - C18 H24 Au Fe P -
Comments: Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B 74(5) (2018)
Space group: P b 21 a
Cell volume: 3547
Cell parameters: 13.872; 11.644; 21.96; 90; 90; 90;  

COD ID: 4020544
CIF file Formula: - C25 H32 O4 S Si -
Comments: Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid Journal of Organic Chemistry 70 (2005) 7985-7995
Space group: P b 21 a
Cell volume: 5010.2
Cell parameters: 11.565; 19.428; 22.298; 90; 90; 90;  

COD ID: 4037411
CIF file Formula: - C25 H19 N O2 S2 -
Comments: Galangau, Olivier; Delbaere, Stéphanie; Ratel-Ramond, Nicolas; Rapenne, Gwénaël; Li, Ruiji; Calupitan, Jan Patrick Dela Cruz; Nakashima, Takuya; Kawai, Tsuyoshi Dual Photochemical Bond Cleavage for a Diarylethene-Based Phototrigger Containing both Methanolic and Acetic Sources. The Journal of organic chemistry 81(22) (2016) 11282-11290
Space group: P b 21 a
Cell volume: 4260.5
Cell parameters: 10.7644; 16.2126; 24.4126; 90; 90; 90;  

COD ID: 4078435
CIF file Formula: - C52 H46 Ag B F4 N6 O4 Pt2 -
Comments: Fuertes, Sara; Woodall, Christopher H.; Raithby, Paul R.; Sicilia, Violeta Heteropolynuclear Pt(II)‒M(I) Clusters with a C∧N∧C Biscyclometalated Ligand Organometallics 31(11) (2012) 4228
Space group: P b 21 a
Cell volume: 9513
Cell parameters: 17.161; 18.165; 30.518; 90; 90; 90;  

COD ID: 4111244
CIF file Formula: - C36 H38 Cl N5 Ni O6 -
Comments: Katarzyna Rudzka; Atta M. Arif; Lisa M. Berreau Glyoxalase I-type Hemithioacetal Isomerization Reactivity of a Mononuclear Ni(II) Deprotonated Amide Complex Journal of the American Chemical Society 128 (2006) 17018-17023
Space group: P b 21 a
Cell volume: 3334.22
Cell parameters: 13.0931; 13.8192; 18.4276; 90; 90; 90;  

COD ID: 4126637
CIF file Formula: - C12 H16 Cl3 N O2 -
Comments: Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric. Journal of the American Chemical Society (2017)
Space group: P b 21 a
Cell volume: 2980
Cell parameters: 19.1923; 17.8181; 8.7142; 90; 90; 90;  

COD ID: 4321264
CIF file Formula: - C23 H22 Cl2 Cu2 N4 O14 -
Comments: Catalina Ruiz-Pérez; María Hernández-Molina; Pablo Lorenzo-Luis; Francesc Lloret; Juan Cano; Miguel Julve Magnetic Coupling through the Carbon Skeleton of Malonate in Two Polymorphs of {[Cu(bpy)(H2O)][Cu(bpy)(mal)(H2O)]}(ClO4)2 (H2mal = Malonic Acid; bpy = 2,2'-Bipyridine) Inorganic Chemistry 39 (2000) 3845-3852
Space group: P b 21 a
Cell volume: 5780
Cell parameters: 23.7; 25.162; 9.693; 90; 90; 90;  

COD ID: 7129213
CIF file Formula: - C13 H10 Cl F2 N O2 S -
Comments: Nobile, Enzo; Castanheiro, Thomas; Besset, Tatiana C–H Electrophilic (phenylsulfonyl)difluoromethylation of (hetero)arenes with a newly designed reagent Chemical Communications (2021)
Space group: P b 21 a
Cell volume: 1357.1
Cell parameters: 7.67; 14.031; 12.61; 90; 90; 90;  


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