Crystallography Open Database

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Searching space group like 'P 3 c 1'

COD ID: 1520881
CIF file Formula: - Co4 O12 Sr5 -
Comments: Boulahya, K.; Parras, M.; Gonzalez-Calbet, J.M. The An+2 Bn B' O3n+3 family (B = B' = Co): ordered intergrowth between 2h-(Ba Co O3) and Ca3 Co2 O6 structures Journal of Solid State Chemistry 145 (1999) 116-127
Space group: P 3 c 1
Cell volume: 1545.74
Cell parameters: 9.4; 9.4; 20.2; 90; 90; 120;  

COD ID: 1529476
CIF file Formula: - C22 H18 Br2 O4 -
Comments: White, Nicholas G.; MacLachlan, Mark J. Anion-templated hexagonal nanotubes Chem. Sci. 6(11) (2015) 6245
Space group: P 3 c 1
Cell volume: 25352
Cell parameters: 40.346; 40.346; 17.984; 90; 90; 120;  

COD ID: 1529477
CIF file Formula: - C54 H90 Br2 N2 O4 -
Comments: White, Nicholas G.; MacLachlan, Mark J. Anion-templated hexagonal nanotubes Chem. Sci. 6(11) (2015) 6245
Space group: P 3 c 1
Cell volume: 25352
Cell parameters: 40.346; 40.346; 17.984; 90; 90; 120;  

COD ID: 1550828
CIF file Formula: - C6 H18 Fe Mg Na O21 -
Comments: Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism Chemical Science (2019)
Space group: P 3 c 1
Cell volume: 3097.8
Cell parameters: 16.9954; 16.9954; 12.3838; 90; 90; 120;  

COD ID: 1550829
CIF file Formula: - C6 H18 Fe Mg Na O21 -
Comments: Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism Chemical Science (2019)
Space group: P 3 c 1
Cell volume: 3108.7
Cell parameters: 17.0033; 17.0033; 12.416; 90; 90; 120;  

COD ID: 1551333
CIF file Formula: - C108 H252 N24 O45 -
Comments: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry 7 (2015) 153-159
Space group: P 3 c 1
Cell volume: 7201.7
Cell parameters: 15.8532; 15.8532; 33.088; 90; 90; 120;  

COD ID: 1566542
CIF file Formula: - C492 H528 N48 O60 -
Comments: Xu, Ning; Su, Kongzhao; M. El-Sayed, El-Sayed; Ju, Zhanfeng; Yuan, Daqiang Chiral Proline-Substituted Porous Organic Cages in Asymmetric Organocatalysis Chemical Science (2022)
Space group: P 3 c 1
Cell volume: 47092
Cell parameters: 32.5182; 32.5182; 51.424; 90; 90; 120;  

COD ID: 1571165
CIF file Formula: - C6 H17 Br3 N2 O -
Comments: Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph. IUCrJ 9(Pt 5) (2022) 544-550
Space group: P 3 c 1
Cell volume: 1775.61
Cell parameters: 16.0425; 16.0425; 7.9666; 90; 90; 120;  

COD ID: 1572294
CIF file Formula: - C21 H24 N O6 P3 -
Comments: Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers Crystals 14(7) (2024) 662
Space group: P 3 c 1
Cell volume: 1192.65
Cell parameters: 9.3792; 9.3792; 15.6549; 90; 90; 120;  

COD ID: 2002396
CIF file Formula: - Mn2 Nb2 O9 Zn2 -
Comments: Rohweder, U; Mueller-Buschbaum, Hk Synthese und Kristallstruktur von Mn4 Nb2 O9 und Mn2 Zn2 Nb2 O9 Journal of the Less-Common Metals 138 (1988) 79-86
Space group: P 3 c 1
Cell volume: 343.9
Cell parameters: 5.2617; 5.2617; 14.3422; 90; 90; 120;  

COD ID: 2002401
CIF file Formula: - Mn3 Nb2 O9 Zn -
Comments: Rohweder, U; Mueller-Buschbaum, Hk Zur Kristallchemie von Mn3 Zn Nb2 O9 und Mn Zn2 Nb2 O8 Journal of the Less-Common Metals 142 (1988) 75-83
Space group: P 3 c 1
Cell volume: 347.7
Cell parameters: 5.291; 5.291; 14.342; 90; 90; 120;  

COD ID: 2020844
CIF file

HKL data

Original IUCr paper

Formula: - C12 H11 Cl N3 O P -
Comments: Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Ghorbanian, Nazila; Andreev, Pavel V. A novel tubular hydrogen-bond pattern in a new diazaphosphole oxide: a combination of X-ray crystallography and theoretical study of hydrogen bonds Acta Crystallographica Section C 73(7) (2017) 508-516
Space group: P 3 c 1
Cell volume: 1956.06
Cell parameters: 15.8635; 15.8635; 8.9754; 90; 90; 120;  

COD ID: 2103727
CIF file

HKL data

Original IUCr paper

Formula: - C13 Cl9 -
Comments: Koutentis, P. A.; Haddon, R. C.; Oakley, R. T.; Cordes, A. W.; Brock, C. P. Perchlorophenalenyl radical, C~13~Cl~9~: a modulated structure with nine threefold-symmetric molecules in the asymmetric unit Acta Crystallographica Section B 57(5) (2001) 680-691
Space group: P 3 c 1
Cell volume: 6870
Cell parameters: 18.704; 18.704; 22.675; 90; 90; 120;  

COD ID: 2106492
CIF file Formula: - Ga H16 Li O10 -
Comments: Caranoni, C.; Capella, L.; Haser, R.; Pepe, G. Structure du Metagallate de Lithium Octahydrate, Li Ga O2 (H2 O)8 Acta Crystallographica B (24,1968-38,1982) 37 (1981) 15-19
Space group: P 3 c 1
Cell volume: 1026.36
Cell parameters: 6.804; 6.804; 25.6; 90; 90; 120;  

COD ID: 2106849
CIF file Formula: - F31 Li4 Na3 Th6 -
Comments: Brunton, G.; Sears, D.R. The Neutron and X-ray Crystal Structure of (Na Li)7 Th6 F31 with More Than One Least-Squares Minimum Acta Crystallographica B (24,1968-38,1982) 25 (1969) 2519-2525
Space group: P 3 c 1
Cell volume: 1128.64
Cell parameters: 9.9056; 9.9056; 13.282; 90; 90; 120;  

COD ID: 2208167
CIF file

HKL data

Original IUCr paper

Formula: - C6 H24 Cd I4 N6 Ni -
Comments: Sohail, Manzar; Molloy, Kieran C.; Mazhar, Muhammad; G. Kociok-Köhn; Khosa, M. Kaleem Tris(ethylenediamine)nickel(II) tetraiodocadmate(II) Acta Crystallographica Section E 62(2) (2006) m394-m396
Space group: P 3 c 1
Cell volume: 1001.4
Cell parameters: 9.023; 9.023; 14.203; 90; 90; 120;  

COD ID: 2239242
CIF file

HKL data

Original IUCr paper

Formula: - C48 H108 Cu4 I4 P4 -
Comments: Klenk, Simon; Frey, Wolfgang; Bubrin, Martina; Laschat, Sabine Tetra-μ~3~-iodido-tetrakis[(tri-<i>n</i>-butylphosphane-κ<i>P</i>)copper(I)] Acta Crystallographica Section E 70(4) (2014) m117-m118
Space group: P 3 c 1
Cell volume: 9761.6
Cell parameters: 22.006; 22.006; 23.276; 90; 90; 120;  

COD ID: 4003476
CIF file Formula: - C6 F9 Fe O6 -
Comments: Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V. Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings Chemistry of Materials (2020)
Space group: P 3 c 1
Cell volume: 1286.2
Cell parameters: 13.0283; 13.0283; 8.7499; 90; 90; 120;  

COD ID: 4066761
CIF file Formula: - C186 H206 B3 F8 N6 V3 -
Comments: Jordan, Markus; Saak, Wolfgang; Haase, Detlev; Beckhaus, Rüdiger Bridging Azines in the Coordination Sphere of Low-Valent Vanadocene Derivatives† Organometallics 29(22) (2010) 5859
Space group: P 3 c 1
Cell volume: 8235.8
Cell parameters: 22.8523; 22.8523; 18.2102; 90; 90; 120;  

COD ID: 4080222
CIF file Formula: - C72 H69 Nd O9 -
Comments: Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N. Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization Organometallics 32(5) (2013) 1272
Space group: P 3 c 1
Cell volume: 8811.4
Cell parameters: 20.3827; 20.3827; 24.4901; 90; 90; 120;  

COD ID: 4100413
CIF file Formula: - C36 H52 N8 O15 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 3 c 1
Cell volume: 7201.6
Cell parameters: 15.8453; 15.8453; 33.121; 90; 90; 120;  

COD ID: 4101641
CIF file Formula: - C27 H63 Co N5 P3 Zr -
Comments: Greenwood, Bennett P.; Rowe, Gerard T.; Chen, Chun-Hsing; Foxman, Bruce M.; Thomas, Christine M. Metal-metal multiple bonds in early/late heterobimetallics support unusual trigonal monopyramidal geometries at both Zr and Co. Journal of the American Chemical Society 132(1) (2010) 44-45
Space group: P 3 c 1
Cell volume: 5257.8
Cell parameters: 18.2757; 18.2757; 18.1771; 90; 90; 120;  

COD ID: 4128361
CIF file Formula: - C194 H148 N10 O20 -
Comments: Meng, Dong; Liu, Guogang; Xiao, Chengyi; Shi, Yanjun; Zhang, Lei; Jiang, Lang; Baldridge, Kim K.; Li, Yan; Siegel, Jay S.; Wang, Zhaohui Corannurylene Pentapetalae. Journal of the American Chemical Society 141(13) (2019) 5402-5408
Space group: P 3 c 1
Cell volume: 40085
Cell parameters: 31.791; 31.791; 45.798; 90; 90; 120;  

COD ID: 4129413
CIF file Formula: - C19 H45 Cl2 Eu N8 O -
Comments: Kuda-Wedagedara, Akhila N W; Wang, Chengcheng; Martin, Philip D.; Allen, Matthew J. Aqueous Eu(II)-Containing Complex with Bright Yellow Luminescence. Journal of the American Chemical Society 137(15) (2015) 4960-4963
Space group: P 3 c 1
Cell volume: 3824.1
Cell parameters: 16.4389; 16.4389; 16.3399; 90; 90; 120;  

COD ID: 4311307
CIF file Formula: - C18 H24 Fe N10 O -
Comments: François Lambert; Clotilde Policar; Stephanie Durot; Michèle Cesario; Lu Yuwei; Hafsa Korri-Youssoufi; Bineta Keita; Louis Nadjo Imidazole and Imidazolate Iron Complexes: On the Way for Tuning 3D-Structural Characteristics and Reactivity. Redox Interconversions Controlled by Protonation State Inorganic Chemistry 43 (2004) 4178-4188
Space group: P 3 c 1
Cell volume: 2026.8
Cell parameters: 10.939; 10.939; 19.558; 90; 90; 120;  

COD ID: 4332602
CIF file Formula: - C32 H63 Cd3 Cl4 N17 O19 -
Comments: Kong, Ling-Yan; Zhu, Hui-Fang; Huang, Yong-Qing; Okamura, Taka-aki; Lu, Xi-Hong; Song, You; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu Cadmium(II) and Copper(II) Complexes with Imidazole-Containing Tripodal Polyamine Ligands: pH and Anion Effects on Carbon Dioxide Fixation and Assembling Inorganic Chemistry 45(20) (2006) 8098-8107
Space group: P 3 c 1
Cell volume: 2764.9
Cell parameters: 13.749; 13.749; 16.889; 90; 90; 120;  

COD ID: 4334489
CIF file Formula: - C32 H39 Cl F6 N3 P3 Ru -
Comments: Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II) Inorganic Chemistry 52 (2013) 4517-4527
Space group: P 3 c 1
Cell volume: 5282.3
Cell parameters: 18.955; 18.955; 16.9765; 90; 90; 120;  

COD ID: 4336969
CIF file Formula: - C40 H56 Ag3 N16 O2.67 S0.67 -
Comments: Li-Yun Du; Wen-Juan Shi; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi; Zhonghua Zhu Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I) Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures, Luminescence, and Sorption Properties Inorganic Chemistry 52 (2013) 14018-14027
Space group: P 3 c 1
Cell volume: 8765.3
Cell parameters: 20.012; 20.012; 25.273; 90; 90; 120;  

COD ID: 4343814
CIF file Formula: - C9 H24 Cl Cu N6 S3 -
Comments: Bowmaker, G.A.; Hanna, J.V.; Pakawatchai, C.; Thanyasirikul, Y.; Skelton, B.W.; White, A.H. Crystal structures and vibrational spectroscopy of copper(I) thiourea complexes Inorganic Chemistry 48 (2009) 350-368
Space group: P 3 c 1
Cell volume: 2715.17
Cell parameters: 14.625; 14.625; 14.658; 90; 90; 120;  

COD ID: 4500891
CIF file Formula: - Cd12.01 Na11.99 O90 S18 -
Comments: Saha, Dipankar; Madras, Giridhar; Guru Row, Tayur N. Manipulation of the Hydration Levels in Minerals of Sodium Cadmium Bisulfate toward the Design of Functional Materials Crystal Growth & Design 11(7) (2011) 3213
Space group: P 3 c 1
Cell volume: 1863.7
Cell parameters: 15.6033; 15.6033; 8.8392; 90; 90; 120;  

COD ID: 4503147
CIF file Formula: - C41 H35 F O5 -
Comments: Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L. Mapping Out the Molecular Interplay in Monohalobenzene Inclusion Complexes ofp-H-calix[5]arene Using Hirshfeld Surfaces Crystal Growth & Design 8(3) (2008) 890
Space group: P 3 c 1
Cell volume: 4729.36
Cell parameters: 19.3236; 19.3236; 14.625; 90; 90; 120;  

COD ID: 4503148
CIF file Formula: - C41 H35 Cl O5 -
Comments: Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L. Mapping Out the Molecular Interplay in Monohalobenzene Inclusion Complexes ofp-H-calix[5]arene Using Hirshfeld Surfaces Crystal Growth & Design 8(3) (2008) 890
Space group: P 3 c 1
Cell volume: 4799.5
Cell parameters: 19.5; 19.5; 14.5746; 90; 90; 120;  

COD ID: 4503149
CIF file Formula: - C41 H35 Br O5 -
Comments: Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L. Mapping Out the Molecular Interplay in Monohalobenzene Inclusion Complexes ofp-H-calix[5]arene Using Hirshfeld Surfaces Crystal Growth & Design 8(3) (2008) 890
Space group: P 3 c 1
Cell volume: 4829.2
Cell parameters: 19.552; 19.552; 14.587; 90; 90; 120;  

COD ID: 4510810
CIF file Formula: - C60 H66 O9 -
Comments: Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls) Crystal Growth & Design 13(1) (2013) 1
Space group: P 3 c 1
Cell volume: 2859.8
Cell parameters: 17.687; 17.687; 10.556; 90; 90; 120;  

COD ID: 6000391
CIF file Formula: - Al5.5 Ca2 Fe2 H28.6 Mg3 Na2 O59.3 Si13.5 -
Comments: Rius, J.; Plana, F.; Queralt, I.; Louer, D. Preliminary structure type determination of the fibrous aluminosilicate 'aerinite' from powder X-ray diffraction data Anales de Quimica International Edition 94 (1998) 101-106
Space group: P 3 c 1
Cell volume: 1288.25
Cell parameters: 16.872; 16.872; 5.2256; 90; 90; 120;  

COD ID: 6000721
CIF file Formula: - Al5.5 Ca2 Fe2 H26.6 Mg3 Na2 O59.3 Si13.5 -
Comments: Rius, J.; Plana, F.; Queralt, I.; Louer, D. Preliminary structure type determination of the fibrous aluminosilicate 'aerinite' from powder X-ray diffraction data Anales de Quimica International Edition 94 (1998) 101-106
Space group: P 3 c 1
Cell volume: 1288.25
Cell parameters: 16.872; 16.872; 5.2256; 90; 90; 120;  

COD ID: 7004092
CIF file Formula: - C6 H18 Al Mg Na O21 -
Comments: Riesen, Hans; Rae, A. David Revisiting the crystal structure and thermal properties of NaMgAl(oxalate)~3~·9H~2~O/Cr(iii): an extraordinary spectral hole-burning material Dalton Transactions (issue 35) (2008) 4717-4722
Space group: P 3 c 1
Cell volume: 3064
Cell parameters: 16.7348; 16.7348; 12.6333; 90; 90; 120;  

COD ID: 7005815
CIF file Formula: - C6.333333 H18.5 I2 N3.166667 P -
Comments: Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.; Safi, Zaki; Sheffield, Joanne M. Preference for a C3 conformation in tris-dimethylaminophosphonium cations: a comparison of the reactions of (Me2N)3P with I-X (X = Cl, Br, I, CN). Dalton transactions (Cambridge, England : 2003) (issue 30) (2007) 3252-3258
Space group: P 3 c 1
Cell volume: 4173.6
Cell parameters: 14.0028; 14.0028; 24.578; 90; 90; 120;  

COD ID: 7025849
CIF file Formula: - C56 H91 Er O6.5 -
Comments: Clark, Lawrence; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Mountford, Philip; Townley, Josh P. Low-coordinate rare-earth complexes of the asymmetric 2,4-di-tert-butylphenolate ligand prepared by redox transmetallation/protolysis reactions, and their reactivity towards ring-opening polymerisation. Dalton transactions (Cambridge, England : 2003) 39(29) (2010) 6693-6704
Space group: P 3 c 1
Cell volume: 8996.33
Cell parameters: 24.9188; 24.9188; 16.7294; 90; 90; 120;  

COD ID: 7029204
CIF file Formula: - C27 H27 F12 N9 P2 Ru -
Comments: Metherell, Alexander J.; Cullen, William; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D. Fac and mer isomers of Ru(II) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics. Dalton transactions (Cambridge, England : 2003) 43(1) (2014) 71-84
Space group: P 3 c 1
Cell volume: 1563.08
Cell parameters: 10.3032; 10.3032; 17.0022; 90; 90; 120;  

COD ID: 7031693
CIF file Formula: - C21 H15 Bi N12 S3 -
Comments: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W. Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions. Dalton transactions (Cambridge, England : 2003) 43(39) (2014) 14737-14748
Space group: P 3 c 1
Cell volume: 3903.17
Cell parameters: 24.0122; 24.0122; 7.8167; 90; 90; 120;  

COD ID: 7040275
CIF file Formula: - C13 H17 Cl O3 Pt S3 -
Comments: Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance. Dalton transactions (Cambridge, England : 2003) 45(47) (2016) 18876-18891
Space group: P 3 c 1
Cell volume: 7433.04
Cell parameters: 34.348; 34.348; 7.275; 90; 90; 120;  

COD ID: 7051376
CIF file Formula: - C35 H45 N8 Nd O18 -
Comments: Po-Wan Lai, Winnie; Wong, Wing-Tak Trinitrato[N,N',N″-tris(2,3-dimethoxybenzamido)triethylamine]- neodymium(III). Synthesis, crystal structure and luminescence of a Nd complex containing tripodal amide ligands New Journal of Chemistry 24(12) (2000) 943
Space group: P 3 c 1
Cell volume: 2255.8
Cell parameters: 10.993; 10.993; 21.554; 90; 90; 120;  

COD ID: 7052196
CIF file Formula: - C6 H11 N3 O3 -
Comments: Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; van de Streek, Jacco Solid‒gas reactions between 1,3-dimethylbarbituric acid and amines. A structural and spectroscopic study New Journal of Chemistry 31(11) (2007) 1935
Space group: P 3 c 1
Cell volume: 421.45
Cell parameters: 8.25; 8.25; 7.15; 90; 90; 120;  

COD ID: 7101537
CIF file Formula: - C108 H108 F18 N12 O30 Ru6 S6 -
Comments: P.Govindaswamy; D.Linder; J.Lacour; G.Suss-Fink; B.Therrien Self-assembled hexanuclear arene ruthenium metallo-prisms with unexpected double helical chirality Chemical Communications (issue 45) (2006)
Space group: P 3 c 1
Cell volume: 7293
Cell parameters: 18.1; 18.1; 25.705; 90; 90; 120;  

COD ID: 7108032
CIF file Formula: - C5 H5 Al B Cl6 N -
Comments: Alessandro Del Grosso; Ewan Clark; Nicholas Montoute; Michael Ingleson Tricationic analogues of boroxines and polyborate anions Chem.Commun. 48 (2012) 7589
Space group: P 3 c 1
Cell volume: 1918.8
Cell parameters: 12.708; 12.708; 13.72; 90; 90; 120;  

COD ID: 7212146
CIF file Formula: - C7 H21 Gd O13 -
Comments: Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina Building-block process for the synthesis of new chromium(iii) malonate complexes CrystEngComm 12(10) (2010) 2711
Space group: P 3 c 1
Cell volume: 743.8
Cell parameters: 8.6708; 8.6708; 11.4236; 90; 90; 120;  

COD ID: 7213161
CIF file Formula: - C15 H39 Br N4 O4 -
Comments: Springborg, Johan; Nielsen, Bente; Olsen, Carl Erik; Søtofte, Inger Synthesis and crystal structure of the bromide salt of the inside protonated form of the cage amine [(2.3)3]adamanzane, 1,4,8,12-tetraazatricyclo[6.6.3.24,12]nonadecane and synthesis of the bowl amine [(2.3)2.21]adamanzane, 1,5,9,12-tetraazabicyclo[7.5.2]hexadecane Journal of the Chemical Society, Perkin Transactions 2 (issue 12) (1999) 2701
Space group: P 3 c 1
Cell volume: 2096
Cell parameters: 8.5328; 8.5328; 33.241; 90; 90; 120;  

COD ID: 7215282
CIF file Formula: - C2 H5 Br Cu N S -
Comments: Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S. Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks CrystEngComm 16(35) (2014) 8224
Space group: P 3 c 1
Cell volume: 2648.4
Cell parameters: 19.9588; 19.9588; 7.6768; 90; 90; 120;  

COD ID: 7225245
CIF file Formula: - C35.6 H45.2 O9.4 -
Comments: Greatorex, Sam; Halcrow, Malcolm A. Highly porous hydrogen-bond networks from a triptycene-based catechol CrystEngComm 18(25) (2016) 4695
Space group: P 3 c 1
Cell volume: 5181.2
Cell parameters: 23.519; 23.519; 10.8159; 90; 90; 120;  

COD ID: 7712173
CIF file Formula: - C82 H66 Cu N5 O16 Ti4 -
Comments: Liu, Xiao-Xue; Wang, Zi-Rui; Chen, Guang-Hui; Li, Qiao-Hong; Tao, Jun; Zhang, Lei Cu<sub>4</sub>Ti<sub>4</sub>-oxo clusters functionalized by <i>in situ</i> - generated 2,2'-biphenolate ligands from the oxidative coupling of phenols. Dalton transactions (Cambridge, England : 2003) 52(7) (2023) 1857-1860
Space group: P 3 c 1
Cell volume: 3628.05
Cell parameters: 13.0524; 13.0524; 24.5902; 90; 90; 120;  

COD ID: 7716756
CIF file Formula: - C5 H18 N16 Ni O11 -
Comments: Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly. Dalton transactions (Cambridge, England : 2003) 53(33) (2024) 13925-13932
Space group: P 3 c 1
Cell volume: 2912.4
Cell parameters: 18.6951; 18.6951; 9.6219; 90; 90; 120;  

COD ID: 7716757
CIF file Formula: - C5 H18 Co N16 O11 -
Comments: Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly. Dalton transactions (Cambridge, England : 2003) 53(33) (2024) 13925-13932
Space group: P 3 c 1
Cell volume: 2942.7
Cell parameters: 18.751; 18.751; 9.6642; 90; 90; 120;  

COD ID: 9000723
CIF file Formula: - Fe3 H21 N O30 P6 -
Comments: Moore, P. B.; Araki, T. Crystal structure of synthetic (NH4)H8Fe3(PO4)6(H2O)6 American Mineralogist 64 (1979) 587-592
Space group: P 3 c 1
Cell volume: 1222.86
Cell parameters: 9.151; 9.151; 16.862; 90; 90; 120;  

COD ID: 9005637
CIF file Formula: - C0.59 H18 Al3.05 Ca2.52 Fe1.36 Mg0.5 Na0.24 O31.77 Si6 -
Comments: Rius, J.; Elkaim, E.; Torrelles, X. Structure determination of the blue mineral pigment aerinite from synchrotron powder diffraction data: The solution of an old riddle European Journal of Mineralogy 16 (2004) 127-134
Space group: P 3 c 1
Cell volume: 1289.65
Cell parameters: 16.882; 16.882; 5.2251; 90; 90; 120;  

COD ID: 9009261
CIF file Formula: - B Be2 H3 O5 -
Comments: Giuseppetti, G.; Mazzi, F.; Tadini, C.; Larsen, A. O.; Asheim, A.; Raade, G. Berborite polytypes Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway Sample: 2T polytype Note: anisoU's from ICSD Neues Jahrbuch fur Mineralogie, Abhandlungen 162 (1990) 101-116
Space group: P 3 c 1
Cell volume: 181.307
Cell parameters: 4.431; 4.431; 10.663; 90; 90; 120;  

COD ID: 9013827
CIF file Formula: - C0.72 Al3 Ca2.19 Fe1.803 O31.5 Si6 -
Comments: Rius, J.; Crespi, A.; Roig, A.; Melgarejo, J. C. Crystal structure refinement of Fe3±rich aerinite from synchrotron powder diffraction and Mossbauer data European Journal of Mineralogy 21 (2009) 233-240
Space group: P 3 c 1
Cell volume: 1295.8
Cell parameters: 16.91611; 16.91611; 5.22886; 90; 90; 120;  


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