Search results

Formula: - C27 H19 Cl2 N5 O5 Ru -
Comments: Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects Inorganic Chemistry 44 (2005) 3499-3511
Space group: P c a b
Cell volume: 5265.9
Cell parameters: 11.191; 14.194; 33.151; 90; 90; 90;

COD ID: 1100944

Formula: - C27 H20 Cl N6 O7.5 Ru -
Comments: Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects Inorganic Chemistry 44 (2005) 3499-3511
Space group: P c a b
Cell volume: 5498.5
Cell parameters: 11.196; 14.428; 34.039; 90; 90; 90;

COD ID: 1503197
CIF file	Formula: - C17 H19 N O5 - Comments: Miege, Frédéric; Meyer, Christophe; Cossy, Janine Synthesis of 3-oxa- and 3-azabicyclo[4.1.0]heptanes by gold-catalyzed cycloisomerization of cyclopropenes. Organic letters 12(18) (2010) 4144-4147 Space group: P c a b Cell volume: 3106 Cell parameters: 8.2353; 13.2297; 28.508; 90; 90; 90;

COD ID: 1504632
CIF file	Formula: - C23 H16 Cl2 O - Comments: Lee, Gon-Ann; Chen, Ko Chou The general synthesis and trapping of 3-substituted 1-chlorocyclopropenes. Organic letters 10(9) (2008) 1843-1845 Space group: P c a b Cell volume: 3625.28 Cell parameters: 8.1975; 16.851; 26.2443; 90; 90; 90;

COD ID: 1506007
CIF file	Formula: - C14 H22 N4 O3 - Comments: Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V Anion binding to monotopic and ditopic macrocyclic amides. Organic letters 8(15) (2006) 3171-3174 Space group: P c a b Cell volume: 3034 Cell parameters: 7.046; 15.999; 26.916; 90; 90; 90;

COD ID: 1507807

Formula: - C17 H12 N2 O3 -
Comments: Chen, Minghua; Gan, Lishe; Lin, Sheng; Wang, Xiaoliang; Li, Li; Li, Yuhuan; Zhu, Chenggen; Wang, Yanan; Jiang, Bingya; Jiang, Jiandong; Yang, Yongchun; Shi, Jiangong Alkaloids from the Root of Isatis indigotica. Journal of natural products 75(6) (2012) 1167-1176
Space group: P c a b
Cell volume: 2673.5
Cell parameters: 11.145; 14.533; 16.506; 90; 90; 90;

COD ID: 1508301

Formula: - C32 H28 N2 O4 S2 -
Comments: Mo, Juntae; Eom, Dahan; Lee, Euichul; Lee, Phil Ho Hybrid system of metal/Brønsted acid relay catalysis for the intramolecular double hydroarylation and cationic cyclization of diyne diethers and diamines. Organic letters 14(14) (2012) 3684-3687
Space group: P c a b
Cell volume: 5557.6
Cell parameters: 9.7758; 22.9743; 24.7453; 90; 90; 90;

COD ID: 1510366
CIF file	Formula: - Au2 Bi4 O9 - Comments: Geb, J.; Jansen, M. Bi2 Au O5 and Bi4 Au2 O9, two novel ternary oxoaurates Journal of Solid State Chemistry 122 (1996) 364-370 Space group: P c a b Cell volume: 1806.52 Cell parameters: 5.889; 8.847; 34.674; 90; 90; 90;

COD ID: 1514883

Formula: - C71 H116 N4 O6 Y2 -
Comments: Fang, Jian; Tschan, Mathieu J.-L.; Roisnel, Thierry; Trivelli, Xavier; Gauvin, Régis M.; Thomas, Christophe M.; Maron, Laurent Yttrium catalysts for syndioselective β-butyrolactone polymerization: on the origin of ligand-induced stereoselectivity Polymer Chemistry 4(2) (2013) 360
Space group: P c a b
Cell volume: 15966
Cell parameters: 21.045; 24.936; 30.425; 90; 90; 90;

COD ID: 1527517
CIF file	Formula: - C4 H10 Ca N4 Ni O5 - Comments: Holt, E.; Watson, K.J. The crystal structure of calcium tetracyanonickelate(II) pentahydrate Acta Chemica Scandinavica (1-27,1973-42,1988) 23 (1969) 14-28 Space group: P c a b Cell volume: 2195.4 Cell parameters: 17.185; 18.859; 6.774; 90; 90; 90;

COD ID: 1534268
CIF file	Formula: - As H3 O5 Sr - Comments: Binas, H. Die Struktur des Sr-Haidingerits Sr H As O4 (H2 O) Zeitschrift fuer Anorganische und Allgemeine Chemie 347 (1966) 140-144 Space group: P c a b Cell volume: 891.688 Cell parameters: 7.398; 14.286; 8.437; 90; 90; 90;

COD ID: 1534909
CIF file	Formula: - H6 Li Mo N O5 - Comments: Makitova, D.D.; Tkachev, V.V.; Atovmyan, L.O. Crystal structure of monohydrate lithiumammonium molybdate LiNH4MoO4H2O Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 16 (1990) 793-795 Space group: P c a b Cell volume: 1108.97 Cell parameters*: 7.865; 10.883; 12.956; 90; 90; 90;

COD ID: 1537599

Formula: - Cu5 H2 O14 Si4 -
Comments: le Bihan, M.T. Contribution a l'etude des silicates de cuivre. Differenciation de la shattuckite et de la plancheite. Structure atomique de la shattuckite Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 90 (1967) 3-7
Space group: P c a b
Cell volume: 1055.48
Cell parameters: 9.88; 19.82; 5.39; 90; 90; 90;

COD ID: 1538448
CIF file	Formula: - H3 N O3 S - Comments: Osaki, Kenji; Tadokoro, Hiroyuki; Nitta, Isamu Structure of Sulphamic Acid Molecule from a Three-dimensional Fourier Analysis Bulletin of the Chemical Society of Japan 28(7) (1955) 524-528 Space group: P c a b Cell volume: 605.791 Cell parameters: 8.066; 8.115; 9.255; 90; 90; 90;

COD ID: 1544678
CIF file	Formula: - Cu5 H2 O14 Si4 - Comments: Kawahara, A. The crystal structure of shattuckite Mineralogical Journal 8 (1976) 193-199 Space group: P c a b Cell volume: 1057 Cell parameters: 9.88; 19.82; 5.4; 90; 90; 90;

COD ID: 1548192

Formula: - C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5 -
Comments: Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits Nature Communications 7 (2016) 10240
Space group: P c a b
Cell volume: 66998.2
Cell parameters: 28.9075; 29.7016; 78.032; 90; 90; 90;

COD ID: 1548348

Formula: - C8 H9 N O2 -
Comments: Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana Hydrogen positions in single nanocrystals revealed by electron diffraction Science 355(6321) (2017) 166-169
Space group: P c a b
Cell volume: 1459.43
Cell parameters: 7.232; 11.76; 17.16; 90; 90; 90;

COD ID: 1555929
CIF file	Formula: - C17 H16 N4 O3 S - Comments: Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines? Organic letters 18(21) (2016) 5752-5755 Space group: P c a b Cell volume: 3447.6 Cell parameters: 8.75; 15.7853; 24.961; 90; 90; 90;

COD ID: 1556316
CIF file	Formula: - C17 H17 N O5 - Comments: Ananthakrishnan, Rajakumar; Gazi, Sarifuddin [Ru(bpy)3]2+ aided photocatalytic synthesis of 2-arylpyridines via Hantzsch reaction under visible irradiation and oxygen atmosphere Catalysis Science & Technology 2(7) (2012) 1463 Space group: P c a b Cell volume: 3212.2 Cell parameters: 8.8191; 17.5507; 20.7531; 90; 90; 90;

COD ID: 1557422

Formula: - C13 H16 Cl N3 Pt -
Comments: Kvam, Per-Inge; Engebretsen, Thoralf; Maartmann-Moe, Knut; Songstad, Jon Crystal Structures of Bu4N[Pt(ppy)Cl2], Et4N[Pt(tpy)Cl2] and [Pt(ppy)en]Cl (ppy = N,C'-Chelated 2-Phenylpyridinate, tpy = N,C'-Chelated 2-(2'-Thienyl)pyridinate, en = N,N'-Chelated 1,2-Diaminoethane). Acta Chemica Scandinavica 50 (1996) 107-113
Space group: P c a b
Cell volume: 2582.7
Cell parameters: 8.5675; 15.971; 18.875; 90; 90; 90;

COD ID: 1559445

Formula: - C14 H14 N4 -
Comments: Aksnes, Dagfinn W.; Brekke, Trond; Maartmann-Moe, Knut Structure, Conformation, and Dynamics of 1,1,2,2-Tetracyano-3,3-dimethyl-4-(2',2'-dimethylethenyl)cyclobutane as Detected by X-Ray and Multinuclear NMR Analyses Acta Chemica Scandinavica 45 (1991) 138-144
Space group: P c a b
Cell volume: 2638.8
Cell parameters: 7.47; 11.446; 30.862; 90; 90; 90;

COD ID: 1559478
CIF file	Formula: - C18 H21 N O4 - Comments: Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles Symmetry 12(10) (2020) 1714 Space group: P c a b Cell volume: 3359.35 Cell parameters: 12.1827; 14.8081; 18.6214; 90; 90; 90;

COD ID: 1559481
CIF file	Formula: - C19 H21 N O5 - Comments: Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles Symmetry 12(10) (2020) 1714 Space group: P c a b Cell volume: 3506.33 Cell parameters: 13.6258; 15.0585; 17.0887; 90; 90; 90;

COD ID: 1559483
CIF file	Formula: - C17 H19 N O6 - Comments: Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles Symmetry 12(10) (2020) 1714 Space group: P c a b Cell volume: 3229.58 Cell parameters: 13.2171; 14.2221; 17.1809; 90; 90; 90;

COD ID: 1561021

Formula: - C40 H47 Ba2 Cu2 I2 Li2 N8 O16.5 -
Comments: Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units Journal of Solid State Chemistry 265 (2018) 393-401
Space group: P c a b
Cell volume: 11890
Cell parameters: 16.363; 27.061; 26.853; 90; 90; 90;

COD ID: 1561505

Formula: - C8 H12 N2 S2 Zn2 -
Comments: Luberda-Durnaś, K.; Guillén, A. González; Łasocha, W. Synthesis optimisation and characterisation of the organic-inorganic layered materials ZnS(m-xylylenediamine)1/2 and ZnS(p-xylylenediamine)1/2 Journal of Solid State Chemistry 238 (2016) 162-169
Space group: P c a b
Cell volume: 1019.1
Cell parameters: 6.6018; 24.829; 6.217; 90; 90; 90;

COD ID: 1564507

Formula: - C26 H22 N8 O2 Zn -
Comments: Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C. Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity Inorganica Chimica Acta 508 (2020) 119632
Space group: P c a b
Cell volume: 4854.2
Cell parameters: 10.3365; 12.0055; 39.117; 90; 90; 90;

COD ID: 2000410
CIF file Original IUCr paper	Formula: - C20 H22 Cl2 O6 - Comments: Ferguson, G.; Ruhl, B. L.; McKervey, M. A.; Browne, C. M. Bis(5-chloro-2-hydroxy-1,3-xylyl)-18-crown-4 Acta Crystallographica Section C 48(12) (1992) 2262-2264 Space group: P c a b Cell volume: 1967.5 Cell parameters: 6.5779; 15.565; 19.217; 90; 90; 90;

COD ID: 2000755
CIF file Original IUCr paper	Formula: - C6 H4 N4 O2 - Comments: Yamaguchi, K.; Takahashi, H.; Kaihoh, T.; Itoh, T.; Okada, M.; Nagata, K.; Matsumura, G.; Ohsawa, A. Structure of benzo-1,2,3,4-tetrazine 1,3-dioxide Acta Crystallographica Section C 48(7) (1992) 1237-1239 Space group: P c a b Cell volume: 1372.3 Cell parameters: 13.602; 14.477; 6.969; 90; 90; 90;

COD ID: 2001234
CIF file Original IUCr paper	Formula: - C14 H19 N O - Comments: De Ridder, D. J. A.; Schenk, H.; Döpp, D. Structure of 6-<i>tert</i>-butyl-3,3-dimethyl-3<i>H</i>-indolium-1-oxide Acta Crystallographica Section C 49(11) (1993) 1971-1973 Space group: P c a b Cell volume: 2603.8 Cell parameters: 10.974; 11.892; 19.952; 90; 90; 90;

COD ID: 2001290
CIF file Original IUCr paper	Formula: - C10 H29 Cl2 Cu N5 O9 - Comments: Lu, T.-H.; Tahirov, T. H.; Bin, C.-K.; Hsiao, C.-D.; Liu, Y.-L.; Lee, J.-C.; Chung, C.-S. Structure of (2,5,8,11,14-pentaazapentadecane)copper(II) diperchlorate monohydrate Acta Crystallographica Section C 49(10) (1993) 1747-1749 Space group: P c a b Cell volume: 4137.7 Cell parameters: 14.506; 14.823; 19.243; 90; 90; 90;

COD ID: 2001538

Formula: - C11 H24 Cl2 Cr N5 S -
Comments: Bouckaert, J.; Maes, D.; Lisgarten, J. N.; Chattopadhyay, T. K.; Palmer, R. A.; Mazid, M. A.; Gazi, D. M. Structures of chromium(III) cyclam complexes. 5. Structure of trans-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) isothiocyanate Acta Crystallographica Section C 49(7) (1993) 1361-1363
Space group: P c a b
Cell volume: 1640.8
Cell parameters: 11.7; 10.878; 12.892; 90; 90; 90;

COD ID: 2001826
CIF file Original IUCr paper	Formula: - C22 H22 O - Comments: Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Liles, D. C.; Zakaria, C. M. Structures of tribenzylmethanol and 1,2,3-triphenyl-2-propanol Acta Crystallographica Section C 49(4) (1993) 820-824 Space group: P c a b Cell volume: 3447.6 Cell parameters: 7.7305; 16.723; 26.668; 90; 90; 90;

COD ID: 2001927
CIF file Original IUCr paper	Formula: - C7 H12 N2 O2 - Comments: Streltsova, N. R.; Bel'sky, V. K.; Voloshin, Y. Z. Structures of three alicyclic α-dioximes with a ring size of six to eight Acta Crystallographica Section C 49(3) (1993) 635-639 Space group: P c a b Cell volume: 1715.3 Cell parameters: 8.69; 12.134; 16.267; 90; 90; 90;

COD ID: 2003045

Formula: - C23 H27 Cl O2 -
Comments: Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S. Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones Acta Crystallographica Section B 54(6) (1998) 895-906
Space group: P c a b
Cell volume: 4214.4
Cell parameters: 17.466; 20.537; 11.749; 90; 90; 90;

COD ID: 2003713
CIF file Original IUCr paper	Formula: - C23 H27 N O5 S - Comments: Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. 4-(9,10-Dihydro-4<i>H</i>-benzo[4,5]cyclohepta[1,2-<i>b</i>]thien-4-ylidene)-1-methylpiperidinium Hydrogen Malate Acta Crystallographica Section C 51(7) (1995) 1435-1438 Space group: P c a b Cell volume: 4348.3 Cell parameters: 9.973; 17.101; 25.496; 90; 90; 90;

COD ID: 2003720

Formula: - C17 H19 N5 -
Comments: Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J. 11-(4-Methylpiperazin-1-yl)-5H-pyrido[4,3-b][1,5]benzodiazepine Acta Crystallographica Section C 51(7) (1995) 1379-1381
Space group: P c a b
Cell volume: 3118.7
Cell parameters: 9.8098; 16.5788; 19.1759; 90; 90; 90;

COD ID: 2003783
CIF file Original IUCr paper	Formula: - C22 H24 N2 O2 - Comments: Blake, A. J.; Harding, M.; Sharp, J. T. 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds Acta Crystallographica Section C 51(8) (1995) 1621-1627 Space group: P c a b Cell volume: 3881.4 Cell parameters: 12.962; 13.4604; 22.2464; 90; 90; 90;

COD ID: 2003963
CIF file Original IUCr paper	Formula: - C48 H48 Cu2 N4 O10 - Comments: Hökelek, T.; Necefouglu, H.; Balcı, M. Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>')dicopper(II) Acta Crystallographica Section C 51(10) (1995) 2020-2023 Space group: P c a b Cell volume: 4639 Cell parameters: 10.881; 19.772; 21.563; 90; 90; 90;

COD ID: 2004447
CIF file Original IUCr paper	Formula: - C12 H20 O4 - Comments: Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P. Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran Acta Crystallographica Section C 52(1) (1996) 237-244 Space group: P c a b Cell volume: 2389.5 Cell parameters: 18.992; 10.595; 11.875; 90; 90; 90;

COD ID: 2004671
CIF file Original IUCr paper	Formula: - C8 H9 N3 O4 - Comments: Low, J. N.; Doidge-Harrison, S. M. S. V.; Cobo, J. <i>N</i>,<i>N</i>-Dimethyl-2,4-dinitroaniline Acta Crystallographica Section C 52(4) (1996) 964-966 Space group: P c a b Cell volume: 1917.4 Cell parameters: 7.133; 13.206; 20.355; 90; 90; 90;

COD ID: 2004883

Formula: - C10 H31 Br2 Cr N4 O3 -
Comments: Palmer, R. A.; Potter, B. S.; Tanriverdi, S.; Lisgarten, J. N.; Flint, C. D.; Gazi, D. M. Structures of Chromium(III) Cyclam Complexes. 6. trans-Aquahydroxy(1,4,8,11-tetraazacyclotetradecane)chromium(III) Dibromide Hydrate Acta Crystallographica Section C 52(5) (1996) 1177-1180
Space group: P c a b
Cell volume: 3500.4
Cell parameters: 12.049; 17.018; 17.071; 90; 90; 90;

COD ID: 2006002
CIF file Original IUCr paper	Formula: - C10 H20 N2 O8 - Comments: Babu, A. M.; Weakley, T. J. R.; Murthy, M. R. N. Extended Conformation of Putrescine Occurring on a Center of Symmetry in its 1:2 Complex with Malonic Acid Acta Crystallographica Section C 53(3) (1997) 365-367 Space group: P c a b Cell volume: 1374 Cell parameters: 7.921; 11.786; 14.714; 90; 90; 90;

COD ID: 2006525
CIF file Original IUCr paper	Formula: - C16 H24 Cd Cl4 N2 - Comments: Monika Groh; Spengler, Roland; Burzlaff, Hans; Zouari, Fatma; Ben Salah, Abdelhamid (C~6~H~5~CH~2~CH~2~NH~3~)~2~[CdCl~4~] Acta Crystallographica Section C 53(9) (1997) 1199-1201 Space group: P c a b Cell volume: 2127.5 Cell parameters: 38.846; 7.434; 7.367; 90; 90; 90;

COD ID: 2006897

Formula: - C10 H24 Cl2 N4 O4 Zn -
Comments: Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun Chloro(1,4,7,11-tetraazacyclotetradecane-N,N',N'',N''')zinc(II) Perchlorate Acta Crystallographica Section C 53(12) (1997) 1780-1782
Space group: P c a b
Cell volume: 3269.6
Cell parameters: 13.716; 14.969; 15.925; 90; 90; 90;

COD ID: 2006986

Formula: - C16 H41 Cl3 N2 O3 W2 -
Comments: Malcolm H. Chisholm; Kirsten Folting; De-Dong Wu A Dinuclear Tungsten(III) Complex Containing a Tungsten‒Tungsten Triple Bond with an Asymmetric Arrangement of Ligands: [W~2~Cl~3~(OCMe~3~)~3~(NHMe~2~)~2~] Acta Crystallographica Section C 54(2) (1998) 225-227
Space group: P c a b
Cell volume: 5246.7
Cell parameters: 13.705; 32.939; 11.6224; 90; 90; 90;

COD ID: 2009491
CIF file Original IUCr paper	Formula: - C26 H19 Cl2 Co N3 - Comments: Viossat, B.; Nguyen-Huy, Dung; Lehuede, J.; Vierfond, J.M. Dichloro(2,5-diphényl-3,4-di-2-pyridyl-1<i>H</i>-pyrrole-<i>N</i>,<i>N</i>')cobalt(II) Acta Crystallographica Section C 50(2) (1994) 211-214 Space group: P c a b Cell volume: 4568 Cell parameters: 14.81; 15.61; 19.757; 90; 90; 90;

COD ID: 2009505

Formula: - C18 H15 N O3 S -
Comments: Hökelek, T.; Patir, S.; Gülce, A.; Okay, G. Structural investigations of 1,2,3,4-tetrahydrocarbazole derivatives. I. 2,3-Dihydro-9-(phenylsulfonyl)carbazole-4(1H)-one and 1,2,3,4-tetrahydrocarbazole-1-spiro-2'-[1,3]dithiolane Acta Crystallographica Section C 50(3) (1994) 450-453
Space group: P c a b
Cell volume: 3090.8
Cell parameters: 8.952; 21.979; 15.709; 90; 90; 90;

COD ID: 2009541
CIF file Original IUCr paper	Formula: - C10 H5 O9 Os3 P - Comments: Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M. A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands Acta Crystallographica Section C 50(3) (1994) 371-375 Space group: P c a b Cell volume: 3526 Cell parameters: 17.108; 14.229; 14.485; 90; 90; 90;

COD ID: 2009583

Formula: - C11 H29 Cl2 Cu N5 O8 -
Comments: Tahirov, T.H.; Lu, T.-H.; Liu, Y.-L.; Chung, C.-S. [(2RS,5SR,8SR,12SR,15SR)-2,5,8,12,15-Pentaazahexadecane-κ^5^N^2,5,8,12,15^]copper(II) diperchlorate Acta Crystallographica Section C 50(4) (1994) 514-516
Space group: P c a b
Cell volume: 4085.1
Cell parameters: 14.599; 14.919; 18.756; 90; 90; 90;

COD ID: 2009640
CIF file Original IUCr paper	Formula: - C5 H7 N3 O2 - Comments: Olszak, Tomasz A.; Peeters, O.M.; Blaton, N.M.; De Ranter, C.J. 2,5-Dimethyl-4-nitroimidazole Acta Crystallographica Section C 50(4) (1994) 558-559 Space group: P c a b Cell volume: 1302 Cell parameters: 7.724; 10.513; 16.034; 90; 90; 90;

COD ID: 2009699
CIF file Original IUCr paper	Formula: - C10 H11 N O3 - Comments: Feeder, N.; Jones, W. 3-(Benzoylamino)propanoic acid and 6-[(4-nitrobenzoyl)amino]hexanoic acid Acta Crystallographica Section C 50(5) (1994) 813-816 Space group: P c a b Cell volume: 1926.4 Cell parameters: 15.93; 10.86; 11.135; 90; 90; 90;

COD ID: 2009702
CIF file Original IUCr paper	Formula: - C12 H15 N O3 - Comments: Feeder, N.; Jones, W. 6-Oxo-6-(phenylamino)hexanoic acid [two polymorphic forms, (I) and (II)] and 4-oxo-4-(<i>N</i>-methylphenylamino)butanoic acid (III) Acta Crystallographica Section C 50(5) (1994) 816-820 Space group: P c a b Cell volume: 2365 Cell parameters: 24.22; 9.675; 10.094; 90; 90; 90;

COD ID: 2009874
CIF file Original IUCr paper	Formula: - C12 H36 Br6 P4 Rh2 - Comments: Boyd, S.E.; Field, L.D.; Hambley, T.W. Di-μ-bromo-tetrabromotetrakis(trimethylphosphine)dirhodium(III) Acta Crystallographica Section C 50(7) (1994) 1019-1020 Space group: P c a b Cell volume: 2810.1 Cell parameters: 10.971; 15.562; 16.459; 90; 90; 90;

COD ID: 2010097
CIF file Original IUCr paper	Formula: - C H7 Al3 N O13 P3 - Comments: Chippindale, A.M.; Powell, A.V.; Jones, R.H.; Thomas, J.M.; Cheetham, A.K.; Huo, Q.; Xu, R. A three-dimensional framework aluminophosphate (CH~3~NH~3~)^+^[Al~3~P~3~O~13~H]^{-^} Acta Crystallographica Section C 50(10) (1994) 1537-1540 Space group: P c a b Cell volume: 2428.7 Cell parameters: 10.281; 13.844; 17.064; 90; 90; 90;

COD ID: 2013713

Formula: - C11 H27 Cl5 Co N5 Zn -
Comments: Bernhardt, Paul V.; Macpherson, Brendan P. Geometric isomers of chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II) Acta Crystallographica Section C 59(11) (2003) m467-m470
Space group: P c a b
Cell volume: 3855.2
Cell parameters: 11.619; 14.109; 23.517; 90; 90; 90;

COD ID: 2019273

Formula: - Cl2 H16 Mg O8 -
Comments: Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O Acta Crystallographica Section C 69(11) (2013) 1292-1300
Space group: P c a b
Cell volume: 1093.95
Cell parameters: 11.9153; 6.7482; 13.6052; 90; 90; 90;

COD ID: 2020128
CIF file HKL data	Formula: - C12 H20 Cl N O - Comments: Stepanovs, Dmitrijs; Posevins, Daniels; Turks, Maris Crystal structures of two (±)-exo-N-isobornylacetamides Acta Crystallographica Section E Crystallographic Communications 71(10) (2015) 1117 Space group: P c a b Cell volume: 2472.31 Cell parameters: 9.6852; 10.7589; 23.7261; 90; 90; 90;

COD ID: 2021442

Formula: - C10 H12 Cd Cl2 N6 O5 -
Comments: Bouchene, Rafika; Bouacida, Sofiane Syntheses, supramolecular networks and Hirshfeld surface and thermal analyses of two new cadmium chloride coordination polymers with an N,O-chelating ligand Acta Crystallographica Section C 75(2) (2019)
Space group: P c a b
Cell volume: 3126.24
Cell parameters: 7.2637; 17.7011; 24.3144; 90; 90; 90;

COD ID: 2100977
CIF file Original IUCr paper	Formula: - C5 H7 N3 O6 S - Comments: Pecaut, J.; Le Fur, Y.; Masse, R. Crystal engineering and structural investigations of the 2-amino-5-nitropyridinium salts C~5~H~6~N~3~O~2~^+^.HSO~4~^{-^} and C~5~H~6~N~3~O~2~^+^.H~2~AsO~4~^{-^} Acta Crystallographica Section B 49(3) (1993) 535-541 Space group: P c a b Cell volume: 3519.6 Cell parameters: 29.617; 13.185; 9.013; 90; 90; 90;

COD ID: 2200252

Formula: - C15 H21 O6 V -
Comments: Filgueiras, Carlos A. L.; Horn Jr, Adolfo; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L. α-Form of tris(2,4-pentanedionato-O,O')vanadium(III), re-refinement against new intensity data Acta Crystallographica Section E 57(4) (2001) m157-m158
Space group: P c a b
Cell volume: 3466.7
Cell parameters: 15.4466; 16.6228; 13.5016; 90; 90; 90;

COD ID: 2203823

Formula: - C10 H8 N2 O2 -
Comments: Ustabaş, Reşat; Çoruh, Ufuk; Sancak, Kemal; Er, Mustafa; Ünver, Yasemin; Yavuz, Metin 2-[2-(Cyanomethoxy)phenoxy]acetonitrile Acta Crystallographica Section E 60(6) (2004) o968-o970
Space group: P c a b
Cell volume: 1916.3
Cell parameters: 7.494; 13.915; 18.377; 90; 90; 90;

COD ID: 2205038

Formula: - C24 H20 N2 O4 -
Comments: Yıldırım, İsmail; Özdemir, Namık; Akçamur, Yunus; Dinçer, Muharrem; Andaç, Ömer 4-Benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylic acid methanol solvate Acta Crystallographica Section E 61(2) (2005) o256-o258
Space group: P c a b
Cell volume: 4204.5
Cell parameters: 10.8731; 18.7861; 20.5836; 90; 90; 90;

COD ID: 2206212

Formula: - C20 H16 N2 O2 -
Comments: Zhu, Hong-Jun; Wang, Dan-Dan; Song, Guang-Liang; Wang, Jin-Tang; Wang, Ke-Le 2,5-Dibenzoyl-1,4-phenylenediamine Acta Crystallographica Section E 61(7) (2005) o2209-o2210
Space group: P c a b
Cell volume: 1550.8
Cell parameters: 7.4651; 13.0034; 15.9759; 90; 90; 90;

COD ID: 2207747

Formula: - C22 H18 O2 S -
Comments: K. Palani; P. Amaladass; A. K. Mohanakrishnan; M. N. Ponnuswamy 1,3-Bis(4-methoxyphenyl)-2-benzothiophene Acta Crystallographica Section E 62(1) (2006) o49-o51
Space group: P c a b
Cell volume: 3461
Cell parameters: 7.508; 16.493; 27.952; 90; 90; 90;

COD ID: 2209068

Formula: - C21 H16 Cl N3 -
Comments: Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Ertan, Nermin 3-(4-Chlorophenyldiazenyl)-1-methyl-2-phenyl-1H-indole Acta Crystallographica Section E 62(6) (2006) o2108-o2110
Space group: P c a b
Cell volume: 6887.7
Cell parameters: 8.0836; 27.952; 30.483; 90; 90; 90;

COD ID: 2211383

Formula: - C12 H10 Cd N2 O8 -
Comments: Knight, James; Amoroso, Angelo; Edwards, Peter; Ooi, Li-Ling catena-Poly[[[diaquacadmium(II)]-μ-2,2'-bipyridine-6,6'-dicarboxylato] dihydrate] Acta Crystallographica Section E 62(12) (2006) m3306-m3308
Space group: P c a b
Cell volume: 2835
Cell parameters: 8.665; 17.392; 18.812; 90; 90; 90;

COD ID: 2214292

Formula: - C28 H34 N6 O6 Zn -
Comments: Min Zhang; Hui-Li Weng; Bo Hu; Xing-Man Xu {[N,N'-Bis(4-methoxybenzyl)ethane-1,2-diyldiimino]diacetato-κ^4^O,N,N',O'}bis(1H-imidazole-κN^3^)zinc(II) Acta Crystallographica Section E 63(7) (2007) m1797-m1797
Space group: P c a b
Cell volume: 6252.1
Cell parameters: 15.3277; 16.3989; 24.8735; 90; 90; 90;

COD ID: 2214523

Formula: - C28 H38 Cd N6 O8 -
Comments: Min Zhang; She-Min Lan; Hui-Li Weng; Xing-Man Xu {[N,N'-Bis(4-methoxybenzyl)ethane-1,2-diyldiimino]diacetato}bis(1H-imidazole-κN^3^)cadmium(II) dihydrate Acta Crystallographica Section E 63(8) (2007) m2045-m2045
Space group: P c a b
Cell volume: 6362.7
Cell parameters: 15.7646; 16.3172; 24.7351; 90; 90; 90;

COD ID: 2217089

Formula: - Fe Na O6 Te2 -
Comments: Weil, Matthias; Stöger, Berthold NaFe(TeO~3~)~2~ Acta Crystallographica Section E 64(1) (2008) i3-i3
Space group: P c a b
Cell volume: 1102.6
Cell parameters: 7.853; 10.448; 13.438; 90; 90; 90;

COD ID: 2232694

Formula: - C15 H18 Cl Cu N3 O7 -
Comments: Ourari, Ali; Derafa, Wassila; Bouacida, Sofiane; Aggoun, Djouhra catena-Poly[[[(pyridine-κN)copper(II)]-μ-3-{1-[(2-aminoethyl)imino]ethyl}-6-methyl-2-oxo-2H-pyran-4-olato-κ^4^N,N,O^4^:O^2^] perchlorate] Acta Crystallographica Section E 67(12) (2011) m1720-m1721
Space group: P c a b
Cell volume: 3664.99
Cell parameters: 8.809; 19.9017; 20.9053; 90; 90; 90;

COD ID: 2234910

Formula: - C48 H48 Co N3 O6 -
Comments: Ourari, Ali; Ouennoughi, Yasmina; Bouacida, Sofiane Tris(2-{[2-(4-methoxyphenyl)ethyl]iminomethyl}phenolato-κ^2^N,O^1^)cobalt(III) Acta Crystallographica Section E 68(6) (2012) m803-m804
Space group: P c a b
Cell volume: 8461
Cell parameters: 15.9798; 19.2968; 27.4387; 90; 90; 90;

COD ID: 2237060

Formula: - C6 H14 N2 O2 S2 Sn2 -
Comments: Sow, Yaya; Diop, Libasse; Molloy, Kieran C.; Kociok-Köhn, Gabriele Di-μ-hydroxido-bis[dimethyl(thiocyanato-κN)tin(IV)] Acta Crystallographica Section E 68(12) (2012) m1436
Space group: P c a b
Cell volume: 1398.66
Cell parameters: 8.344; 12.5214; 13.3871; 90; 90; 90;

COD ID: 2240120

Formula: - C14 H10 Cl N O2 -
Comments: García-Merinos, J. Pablo; López, Yliana; González-Campos, J. Betzabe; Aviña-Verduzco, Judit A.; Río, Rosa E. del; Santillan, Rosa Crystal structure of N-[(E)-(1,3-benzodioxol-5-yl)methylidene]-4-chloroaniline Acta Crystallographica Section E 70(11) (2014) o1195-o1196
Space group: P c a b
Cell volume: 2408.3
Cell parameters: 6.0014; 13.9015; 28.867; 90; 90; 90;

COD ID: 2242357

Formula: - C15 H18 Ce F9 O9 -
Comments: Koizumi, Atsuya; Hasegawa, Takuya; Itadani, Atsushi; Toda, Kenji; Zhu, Taoyun; Sato, Mineo Structure of triaquatris(1,1,1-trifluoro-4-oxopentan-2-olato)cerium(III) as a possible fluorescent compound Acta Crystallographica Section E 74(2) (2018) 229-232
Space group: P c a b
Cell volume: 4717.9
Cell parameters: 11.6347; 16.5121; 24.5577; 90; 90; 90;

COD ID: 2310460
CIF file	Formula: - C2 N2 - Comments: Parkes, A.S.; Hughes, R.E. The crystal structure of cyanogen Acta Crystallographica (1,1948-23,1967) 16 (1963) 734-736 Space group: P c a b Cell volume: 276.537 Cell parameters: 6.31; 7.08; 6.19; 90; 90; 90;

COD ID: 2310700
CIF file	Formula: - H3 Na O2 - Comments: Wunderlich, J.A. Structures cristallines des hydrates de la soude. III. La structure cristalline de Na O H H2 O Acta Crystallographica (1,1948-23,1967) 10 (1957) 462-463 Space group: P c a b Cell volume: 440.326 Cell parameters: 6.21; 11.72; 6.05; 90; 90; 90;

COD ID: 2311677

Formula: - C11 H13 Cl N2 O2 -
Comments: Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 447-454
Space group: P c a b
Cell volume: 2373.6
Cell parameters: 5.183; 16.808; 27.247; 90; 90; 90;

COD ID: 4001538
CIF file	Formula: - Cs2 Ga6 H2 O26 P6 - Comments: Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B. Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure Chemistry of Materials 18(12) (2006) 2895 Space group: P c a b Cell volume: 2405.6 Cell parameters: 10.1662; 13.9762; 16.931; 90; 90; 90;

COD ID: 4003141

Formula: - C4 N O11 P2 S Sm -
Comments: Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies Chemistry of Materials (2019)
Space group: P c a b
Cell volume: 2554.61
Cell parameters: 12.87191; 28.0795; 7.06792; 90; 90; 90;

COD ID: 4003142

Formula: - C4 N Nd O11 P2 S -
Comments: Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies Chemistry of Materials (2019)
Space group: P c a b
Cell volume: 2573.35
Cell parameters: 12.93108; 27.9525; 7.11941; 90; 90; 90;

COD ID: 4003143

Formula: - C4 Eu N O11 P2 S -
Comments: Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies Chemistry of Materials (2019)
Space group: P c a b
Cell volume: 2525.1
Cell parameters: 12.8176; 27.9047; 7.05997; 90; 90; 90;

COD ID: 4003144

Formula: - C4 N O11 P2 Pr S -
Comments: Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies Chemistry of Materials (2019)
Space group: P c a b
Cell volume: 2596.51
Cell parameters: 12.98444; 27.9499; 7.15462; 90; 90; 90;

COD ID: 4003145

Formula: - C4 N O11 P2 S Tb -
Comments: Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies Chemistry of Materials (2019)
Space group: P c a b
Cell volume: 2505.2
Cell parameters: 12.7521; 27.9893; 7.01895; 90; 90; 90;

COD ID: 4003146

Formula: - C4 Gd N O11 P2 S -
Comments: Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies Chemistry of Materials (2019)
Space group: P c a b
Cell volume: 2516.59
Cell parameters: 12.78286; 27.9621; 7.04068; 90; 90; 90;

COD ID: 4020890

Formula: - C31 H42 Cl2 N3 O7 P -
Comments: N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction Journal of Organic Chemistry 69 (2004) 1880-1889
Space group: P c a b
Cell volume: 6959.9
Cell parameters: 15.1196; 17.9591; 25.632; 90; 90; 90;

COD ID: 4021044

Formula: - C10 H16 O5 -
Comments: David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions Journal of Organic Chemistry 69 (2004) 8796-8803
Space group: P c a b
Cell volume: 4377.9
Cell parameters: 10.9443; 12.8927; 31.0269; 90; 90; 90;

COD ID: 4021627

Formula: - C16 H12 I2 -
Comments: Zhenfeng Xi; Zhiyi Song; Guangzhen Liu; Xiaozhong Liu; Tamotsu Takahashi Preparation of Partially Substituted 1-Halo- and 1,4-Dihalo-1,3-dienes via Reagent-Controlled Desilylation of Halogenated 1,3-Dienes Journal of Organic Chemistry 71 (2006) 3154-3158
Space group: P c a b
Cell volume: 3037.2
Cell parameters: 7.6944; 15.719; 25.11; 90; 90; 90;

COD ID: 4022115
CIF file	Formula: - C16 H12 O2 - Comments: Manab Chakravarty; K. C. Kumara Swamy Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins Journal of Organic Chemistry 71 (2006) 9128-9138 Space group: P c a b Cell volume: 2394.8 Cell parameters: 8.4723; 16.42; 17.215; 90; 90; 90;

COD ID: 4022133

Formula: - C20 H38 N2 O4 -
Comments: Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale Journal of Organic Chemistry 71 (2006) 9312-9318
Space group: P c a b
Cell volume: 4697.1
Cell parameters: 10.1031; 11.3618; 40.919; 90; 90; 90;

COD ID: 4022251
CIF file	Formula: - C13 H14 O2 - Comments: Wolfgang Pitsch; Michael Klein; Manfred Zabel; Burkhard König Synthesis and Structure of a Stabilized 10-Membered Cyclic Enediyne Journal of Organic Chemistry 67 (2002) 6805-6807 Space group: P c a b Cell volume: 2196 Cell parameters: 7.9339; 15.9909; 17.3091; 90; 90; 90;

COD ID: 4022333
CIF file	Formula: - C72 H116 Cl N3 Si4 Zn - Comments: Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin Journal of Organic Chemistry 68 (2003) 1089-1096 Space group: P c a b Cell volume: 15376.1 Cell parameters: 14.8345; 30.4586; 34.0301; 90; 90; 90;

COD ID: 4023499
CIF file	Formula: - C14 H22 N4 O3 - Comments: Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles Journal of Organic Chemistry 73 (2008) 4771-4782 Space group: P c a b Cell volume: 3034 Cell parameters: 7.046; 15.999; 26.916; 90; 90; 90;

COD ID: 4024917
CIF file	Formula: - C18 H14 Br2 - Comments: Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene Journal of Organic Chemistry 74 (2009) 7994-7997 Space group: P c a b Cell volume: 3091.16 Cell parameters: 8.1087; 11.577; 32.9287; 90; 90; 90;

COD ID: 4024918
CIF file	Formula: - C18 H12 Br2 - Comments: Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene Journal of Organic Chemistry 74 (2009) 7994-7997 Space group: P c a b Cell volume: 3007.84 Cell parameters: 7.903; 11.57; 32.895; 90; 90; 90;

COD ID: 4025118

Formula: - C27 H24 O2 -
Comments: Liang-Feng Yao; Yin Wei; Min Shi Silver- and Gold-Catalyzed Intramolecular Rearrangement of Propargylic Alcohols Tethered with Methylenecyclopropanes: Stereoselective Synthesis of Allenylcyclobutanols and 1-Vinyl-3-oxabicyclo[3.2.1]octan-8-one Derivatives Journal of Organic Chemistry 74 (2009) 9466-9469
Space group: P c a b
Cell volume: 4103
Cell parameters: 11.3164; 17.6548; 20.537; 90; 90; 90;

COD ID: 4026188
CIF file	Formula: - C22 H24 N2 O5 S - Comments: Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction Journal of Organic Chemistry 76 (2011) 2888-2891 Space group: P c a b Cell volume: 4369 Cell parameters: 10.0542; 18.2032; 23.872; 90; 90; 90;

COD ID: 4026613
CIF file	Formula: - C32 H30 N2 O6 - Comments: Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II) Journal of Organic Chemistry 76 (2011) 7866-7871 Space group: P c a b Cell volume: 5210.5 Cell parameters: 7.6426; 22.219; 30.684; 90; 90; 90;

COD ID: 4027055
CIF file	Formula: - C19 H17 N O3 - Comments: Kyoung A Jo; Muchchintala Maheswara; Eunyoung Yoon; Yun Yeong Lee; Hoseop Yun; Eun Joo Kang N-Heterocyclic Carbene Catalyzed Domino Cyclization of Propargylic Alcohols and Benzoyl Isocyanates Journal of Organic Chemistry 77 (2012) 2924-2928 Space group: P c a b Cell volume: 3230.5 Cell parameters: 20.5963; 10.163; 15.4331; 90; 90; 90;

COD ID: 4029791
CIF file	Formula: - C6 H9 I N O4 P - Comments: Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts. Beilstein journal of organic chemistry 6 (2010) 4 Space group: P c a b Cell volume: 1985.26 Cell parameters: 7.8119; 9.8242; 25.8681; 90; 90; 90;

COD ID: 4029792
CIF file	Formula: - C6 H9 Cl N O4 P - Comments: Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts. Beilstein journal of organic chemistry 6 (2010) 4 Space group: P c a b Cell volume: 1900.27 Cell parameters: 7.8654; 9.6441; 25.0515; 90; 90; 90;

COD ID: 4030020
CIF file	Formula: - C23 H16 Cl N O - Comments: Sharma, Upendra; Park, Yoonsu; Chang, Sukbok Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes. The Journal of organic chemistry 79(20) (2014) 9899-9906 Space group: P c a b Cell volume: 3619 Cell parameters: 10.5459; 11.3676; 30.188; 90; 90; 90;

COD ID: 4031119

Formula: - C13 H17 N O2 -
Comments: Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E. Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols. The Journal of organic chemistry 80(13) (2015) 6609-6618
Space group: P c a b
Cell volume: 2266.94
Cell parameters: 9.722; 10.9729; 21.2502; 90; 90; 90;

COD ID: 4032236

Formula: - C39 H35 N O -
Comments: Bera, Sourav Sekhar; Debbarma, Suvankar; Ghosh, Avick Kumar; Chand, Santanu; Maji, Modhu Sudan Cp*Co(III)-Catalyzed syn-Selective C-H Hydroarylation of Alkynes Using Benzamides: An Approach Toward Highly Conjugated Organic Frameworks. The Journal of organic chemistry 82(1) (2017) 420-430
Space group: P c a b
Cell volume: 6368
Cell parameters: 17.566; 16.38; 22.132; 90; 90; 90;

COD ID: 4033566

Formula: - C13 H12 Cd N6 O2 S -
Comments: Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases. Journal of inorganic biochemistry 185 (2018) 52-62
Space group: P c a b
Cell volume: 2979.8
Cell parameters: 10.6327; 15.2805; 18.3404; 90; 90; 90;

COD ID: 4060538
CIF file	Formula: - C28 H33 N O4 W - Comments: Organometallics (2005) Space group: P c a b Cell volume: 5067.49 Cell parameters: 16.2251; 16.5889; 18.8273; 90; 90; 90;

COD ID: 4061222

Formula: - C16 H23 O4 Rh -
Comments: Jamal Moussa; Carine Guyard-Duhayon; Patrick Herson; Marie Noelle Rager; Hani Amouri; Anny Jutand eta5-Semiquinone Complexes and the Related p- eta4-Benzoquinone of Pentamethylcyclopentadienyl-Rhodium and -Iridium: Synthesis, Structures, Hydrogen Bonding and Electrochemical Behavior Organometallics (2004)
Space group: P c a b
Cell volume: 3119.1
Cell parameters: 13.9281; 14.398; 15.554; 90; 90; 90;

COD ID: 4063151
CIF file	Formula: - C18 H35 N3 O4 Si2 - Comments: Organometallics (2004) Space group: P c a b Cell volume: 4938.1 Cell parameters: 13.9806; 15.5986; 22.644; 90; 90; 90;

COD ID: 4063363
CIF file	Formula: - C11 H13 Cl Pd S - Comments: Kleimark, Jonatan; Johansson, Charlotte; Olsson, Susanne; Håkansson, Mikael; Hansson, Sverker; Åkermark, Björn; Norrby, Per-Ola Sterically Governed Selectivity in Palladium-Assisted Allylic Alkylation Organometallics 30(2) (2011) 230 Space group: P c a b Cell volume: 2326 Cell parameters: 7.778; 15.665; 19.09; 90; 90; 90;

COD ID: 4068472
CIF file	Formula: - C14 H4 F5 P S2 - Comments: Ren, Yi; Dienes, Yvonne; Hettel, Sonja; Parvez, Masood; Hoge, Berthold; Baumgartner, Thomas Highly Fluorinated Dithieno[3,2-b:2′,3′-d]phospholes with Stabilized LUMO Levels Organometallics 28(3) (2009) 734 Space group: P c a b Cell volume: 2561.1 Cell parameters: 11.0038; 14.7512; 15.7784; 90; 90; 90;

COD ID: 4069749

Formula: - C48 H80 B N9 Si2 Sr -
Comments: Arrowsmith, Merle; Heath, Alex; Hill, Michael S.; Hitchcock, Peter B.; Kociok-Köhn, Gabriele Tris(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Structural Studies Organometallics 28(15) (2009) 4550
Space group: P c a b
Cell volume: 10793.5
Cell parameters: 19.1624; 20.4613; 27.5283; 90; 90; 90;

COD ID: 4069878
CIF file	Formula: - C20 H31 Ni P - Comments: Hussain, Mazhar; Kohser, Stefanie; Janssen, Karin; Wartchow, Rudolf; Butenschön, Holger The First η5-Indenylnickel Chelate Complexes with a Pendant Phosphane Tether Organometallics 28(17) (2009) 5212 Space group: P c a b Cell volume: 3797.5 Cell parameters: 11.668; 12.848; 25.332; 90; 90; 90;

COD ID: 4069958
CIF file	Formula: - C80 H78 P6 Pt3 Si2 - Comments: Arii, Hidekazu; Takahashi, Makiko; Nanjo, Masato; Mochida, Kunio Synthesis and Structure of a Trinuclear Platinum Complex with μ3-Silylyne Ligands Derived from a Disilane Organometallics 28(16) (2009) 4629 Space group: P c a b Cell volume: 14482.4 Cell parameters: 17.369; 19.512; 42.733; 90; 90; 90;

COD ID: 4071089

Formula: - C24 H29 F6 Fe N2 P Pd -
Comments: Pérez, Sonia; López, Concepción; Bosque, Ramon; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.; Freixa, Zoraida Chelate-Size Effects on the Structures, Chemical Behavior, Properties, and Catalytic Activity of the New Palladium(II)−Allyl Complexes [Pd(η3-1-R1-C3H4){FcCHN-CH2-(CH2)n-NMe2}][PF6] {Fc = (η5-C5H5)Fe(η5-C5H4),n= 2 or 1, and R1= H or Ph} Organometallics 27(17) (2008) 4288
Space group: P c a b
Cell volume: 5168.9
Cell parameters: 16.99; 17.24; 17.647; 90; 90; 90;

COD ID: 4071349
CIF file	Formula: - C35 H48 Cl2 N4 Ti - Comments: Lorber, Christian; Vendier, Laure Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes Organometallics 27(12) (2008) 2774 Space group: P c a b Cell volume: 7526.2 Cell parameters: 13.2517; 42.872; 13.2474; 90; 90; 90;

COD ID: 4071688
CIF file	Formula: - C17 H21 Cl2 N Ti - Comments: Wu, Chun Ji; Lee, Sang Hoon; Yu, Seung Tack; Na, Sung Jae; Yun, Hoseop; Lee, Bun Yeoul CO2-Mediatedortho-Lithiation ofN-Alkylanilines and Its Use for the Construction of Polymerization Catalysts Organometallics 27(15) (2008) 3907 Space group: P c a b Cell volume: 3421.77 Cell parameters: 13.201; 14.92; 17.373; 90; 90; 90;

COD ID: 4072572

Formula: - C23 H37 N O S Si Ti -
Comments: Lian, Bing; Thomas, Christophe M.; Navarro, Christophe; Carpentier, Jean-François “Constrained Geometry” Titanium Complexes: Exceptionally Robust Systems for Living Polymerization of Methacrylates at High Temperature and Model Studies toward Chain Transfer Polymerization with Thiols Organometallics 26(1) (2007) 187
Space group: P c a b
Cell volume: 4681.7
Cell parameters: 14.7578; 15.198; 20.8733; 90; 90; 90;

COD ID: 4072583

Formula: - C16 H16 O5 S4 W2 -
Comments: Hossain, Md. Munkir; Lin, Hsiu-Mei; Shyu, Shin-Guang Formation of a Dithiophosphinate Ligand Ph2PS2by Sulfur Insertion into the Metal−Phosphido Bond on Heterobimetallic Phosphido-Bridged Complex Cp(CO)2W(μ-PPh2)Mo(CO)5: A Rare Example of a Neutral Six-Electron Mixed-Metal Cluster with a Mo2WS4Core Organometallics 26(3) (2007) 685
Space group: P c a b
Cell volume: 3983.8
Cell parameters: 6.7919; 23.052; 25.445; 90; 90; 90;

COD ID: 4072728
CIF file	Formula: - C54.5 H38 Cl3 F10 P2 Pt2 - Comments: Berenguer, Jesús R.; Bernechea, María; Lalinde, Elena Rearrangement or C−H Activation Processes Promoted by Reaction with the Solvate [cis-Pt(C6F5)2(thf)2] Organometallics 26(5) (2007) 1161 Space group: P c a b Cell volume: 10567.3 Cell parameters: 17.376; 24.139; 25.194; 90; 90; 90;

COD ID: 4072936

Formula: - C16 H18 I2 O Te -
Comments: Chauhan, Ashok K. S.; Singh, Puspendra; Kumar, Arun; Srivastava, Ramesh C.; Butcher, Ray J.; Duthie, Andrew Room-Temperature Insertion of Elemental Tellurium into the Csp3−Br and −I Bonds of α-Bromo- and α-Iodopinacolone Organometallics 26(8) (2007) 1955
Space group: P c a b
Cell volume: 3630.3
Cell parameters: 9.3437; 18.924; 20.531; 90; 90; 90;

COD ID: 4073909

Formula: - C23 H17 Cl Mn N3 O8 -
Comments: Ruiz, Javier; Perandones, Bernabé F.; García, Gabriel; Mosquera, Marta E. G. Synthesis of N-Heterocyclic Carbene Complexes of Manganese(I) by Coupling Isocyanide Ligands with Propargylamines and Propargylic Alcohols§ Organometallics 26(23) (2007) 5687
Space group: P c a b
Cell volume: 4747.6
Cell parameters: 13.223; 14.573; 24.6375; 90; 90; 90;

COD ID: 4075754
CIF file	Formula: - C20 H28 Cu2 F6 O4 - Comments: Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions Organometallics 24(5) (2005) 819 Space group: P c a b Cell volume: 4852 Cell parameters: 10.284; 21.386; 22.061; 90; 90; 90;

COD ID: 4076118

Formula: - C25 H34 Cl Fe Ga O2 -
Comments: Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B. Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors Organometallics 24(24) (2005) 5879
Space group: P c a b
Cell volume: 5092.35
Cell parameters: 16.8447; 17.0707; 17.7094; 90; 90; 90;

COD ID: 4076130

Formula: - C37.5 H46.5 Cl3 Fe3 In2 O6 -
Comments: Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B. Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors Organometallics 24(24) (2005) 5879
Space group: P c a b
Cell volume: 9620.3
Cell parameters: 14.981; 21.521; 29.839; 90; 90; 90;

COD ID: 4076132

Formula: - C28 H20 Fe4 I2 In2 O8 -
Comments: Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B. Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors Organometallics 24(24) (2005) 5879
Space group: P c a b
Cell volume: 3283.56
Cell parameters: 7.5598; 18.7946; 23.1101; 90; 90; 90;

COD ID: 4077469

Formula: - C27 H33 O3 P -
Comments: Romain, Jeff K.; Ribblett, Jason W.; Byrn, Robert W.; Snyder, Richard D.; Storhoff, Bruce N.; Huffman, John C. Synthesis and Properties of Phenyl Phosphines with Meta-Positioned Methyl Groups and the X-ray Structure of Tris(3,5-dimethyl-4-methoxyphenyl)phosphine Organometallics 19(10) (2000) 2047
Space group: P c a b
Cell volume: 4762
Cell parameters: 12.32; 37.838; 10.216; 90; 90; 90;

COD ID: 4078875

Formula: - C74 H65 In N4 O3 Si2 -
Comments: Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François Meerwein‒Ponndorf‒Verley-Type Reduction Processes in Aluminum and Indium Isopropoxide Complexes of Imino-Phenolate Ligands Organometallics 31(15) (2012) 5511
Space group: P c a b
Cell volume: 12086
Cell parameters: 16.5875; 18.1081; 40.2373; 90; 90; 90;

COD ID: 4079211
CIF file	Formula: - C20 H17 N O - Comments: González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes Organometallics 31(18) (2012) 6572 Space group: P c a b Cell volume: 3052.3 Cell parameters: 7.118; 19.666; 21.805; 90; 90; 90;

COD ID: 4080548
CIF file	Formula: - C51 H83 Cl Ir N O2 P2 - Comments: Chang, Yung-Hung; Nakajima, Yumiko; Ozawa, Fumiyuki A Bis(phosphaethenyl)pyridine Complex of Iridium(I): Synthesis and Catalytic Application toN-Alkylation of Amines with Alcohols Organometallics 32(7) (2013) 2210 Space group: P c a b Cell volume: 10237 Cell parameters: 16.799; 18.206; 33.473; 90; 90; 90;

COD ID: 4083163
CIF file	Formula: - C36 H28 F P Sn - Comments: Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions Organometallics 33(10) (2014) 2409 Space group: P c a b Cell volume: 5689 Cell parameters: 10.904; 18.628; 28.006; 90; 90; 90;

COD ID: 4084335

Formula: - C40 H35 Co F10 N P3 -
Comments: Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Zhang, Wenjian Peripheral Methyl Activation in η4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template Synthesis and Subsequent Reactivity of Triphosphamacrocycles Organometallics 33(19) (2014) 5440
Space group: P c a b
Cell volume: 7626.43
Cell parameters: 15.97; 24.4817; 19.5063; 90; 90; 90;

COD ID: 4084583
CIF file	Formula: - C66 H86 B0 Br F0 Fe N2 P2 - Comments: Lin, Ya-Fan; Ichihara, Nobuko; Nakajima, Yumiko; Ozawa, Fumiyuki Disproportionation of Bis(phosphaethenyl)pyridine Iron(I) Bromide Induced bytBuNC Organometallics 33(22) (2014) 6700 Space group: P c a b Cell volume: 11985 Cell parameters: 18.058; 23.918; 27.749; 90; 90; 90;

COD ID: 4085404
CIF file	Formula: - C23 H30 Be N2 - Comments: Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele Activation of N-Heterocyclic Carbenes by {BeH2} and {Be(H)(Me)} Fragments Organometallics 34(3) (2015) 653 Space group: P c a b Cell volume: 4336.9 Cell parameters: 14.1614; 17.0899; 17.9197; 90; 90; 90;

COD ID: 4088556
CIF file	Formula: - C37 B F4 Fe N P2 - Comments: Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues Organometallics 35(8) (2016) 1151 Space group: P c a b Cell volume: 7548.2 Cell parameters: 17.24; 17.913; 24.442; 90; 90; 90;

COD ID: 4100308
CIF file	Formula: - C14 H10 Co O4 - Comments: Journal of the American Chemical Society (2005) Space group: P c a b Cell volume: 4983.55 Cell parameters: 10.5031; 18.9228; 25.0747; 90; 90; 90;

COD ID: 4100313
CIF file	Formula: - C28 H20 Co Mn O8 - Comments: Journal of the American Chemical Society (2005) Space group: P c a b Cell volume: 5097.7 Cell parameters: 10.6761; 19.1023; 24.9963; 90; 90; 90;

COD ID: 4101140
CIF file	Formula: - C76 H86 Al Br N2 O4 P2 - Comments: Journal of the American Chemical Society (2006) Space group: P c a b Cell volume: 13038.4 Cell parameters: 22.3928; 22.5503; 25.8204; 90; 90; 90;

COD ID: 4101657
CIF file	Formula: - C14 H16 Cl2 O3 - Comments: Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo Chemical and biological studies of nakiterpiosin and nakiterpiosinone. Journal of the American Chemical Society 132(1) (2010) 371-383 Space group: P c a b Cell volume: 2915.41 Cell parameters: 9.0904; 10.349; 30.9898; 90; 90; 90;

COD ID: 4107683

Formula: - C32 H47 Br N U -
Comments: Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding Journal of the American Chemical Society 130 (2008) 5272-5285
Space group: P c a b
Cell volume: 5982.6
Cell parameters: 16.369; 18.632; 19.616; 90; 90; 90;

COD ID: 4108633

Formula: - C14 H16 O6 -
Comments: Manon Chaumontet; Riccardo Piccardi; Nicolas Audic; Julien Hitce; Jean-Louis Peglion; Eric Clot; Olivier Baudoin Synthesis of Benzocyclobutenes by Palladium-Catalyzed C-H Activation of Methyl Groups: Method and Mechanistic Study Journal of the American Chemical Society 130 (2008) 15157-15166
Space group: P c a b
Cell volume: 2739.88
Cell parameters: 8.784; 14.031; 22.2306; 90; 90; 90;

COD ID: 4109438

Formula: - C76 H86 Cl3 N7 Pd -
Comments: Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals Journal of the American Chemical Society 129 (2007) 6392-6393
Space group: P c a b
Cell volume: 13117
Cell parameters: 14.106; 19.03; 48.863; 90; 90; 90;

COD ID: 4112699
CIF file	Formula: - C80 H94 - Comments: Zhaohui Wang; Željko Tomović; Marcel Kastler; Ramona Pretsch; Fabrizia Negri; Volker Enkelmann; Klaus Müllen Graphitic Molecules with Partial "Zig/Zag" Periphery Journal of the American Chemical Society 126 (2004) 7794-7795 Space group: P c a b Cell volume: 12729.5 Cell parameters: 17.2333; 24.8954; 29.6704; 90; 90; 90;

COD ID: 4114162
CIF file	Formula: - C60 H38 I2 N4 Ni - Comments: Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization Journal of the American Chemical Society 125 (2003) 11484-11485 Space group: P c a b Cell volume: 9128.5 Cell parameters: 12.973; 19.9685; 35.238; 90; 90; 90;

COD ID: 4114163
CIF file	Formula: - C50 H28 Br2 Cl6 N4 Ni - Comments: Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization Journal of the American Chemical Society 125 (2003) 11484-11485 Space group: P c a b Cell volume: 8921 Cell parameters: 13.044; 19.26; 35.51; 90; 90; 90;

COD ID: 4114459
CIF file	Formula: - C29 H43 O7 Rb - Comments: Jacob S. Alexander; Damian G. Allis; Bruce S. Hudson; Karin Ruhlandt-Senge An Examination of Metal-Ligand Binding Modes in Rubidium Diphenylmethanide Journal of the American Chemical Society 125 (2003) 15002-15003 Space group: P c a b Cell volume: 5832 Cell parameters: 14.2054; 19.0969; 21.498; 90; 90; 90;

COD ID: 4114614

Formula: - C88 H62 F24 N8 P4 Ru -
Comments: Philippe Lainé; Fethi Bedioui; Philippe Ochsenbein; Valérie Marvaud; Michel Bonin; Edmond Amouyal A New Class of Functionalized Terpyridyl Ligands as Building Blocks for Photosensitized Supramolecular Architectures. Synthesis, Structural, and Electronic Characterizations Journal of the American Chemical Society 124 (2002) 1364-1377
Space group: P c a b
Cell volume: 16577
Cell parameters: 16.355; 16.69; 60.729; 90; 90; 90;

COD ID: 4114865

Formula: - C29 H36 P Rh -
Comments: Helmut Werner; Ralf Wiedemann; Matthias Laubender; Bettina Windmüller; Paul Steinert; Olaf Gevert; Justin Wolf Unusual Pathways for Metal-Assisted C-C and C-P Coupling Reactions Using Allenylidenerhodium Complexes as Precursors Journal of the American Chemical Society 124 (2002) 6966-6980
Space group: P c a b
Cell volume: 5178.9
Cell parameters: 16.305; 17.315; 18.344; 90; 90; 90;

COD ID: 4135205

Formula: - C32 H28 N6 O7 Ru -
Comments: Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis. Journal of the American Chemical Society 142(35) (2020) 15020-15026
Space group: P c a b
Cell volume: 6700.3
Cell parameters: 14.4913; 18.099; 25.5467; 90; 90; 90;

COD ID: 4302679

Formula: - C70 H58 Cu4 N28 O25 -
Comments: Consuelo Yuste; Laura Cañadillas-Delgado; Ana Labrador; Fernando S. Delgado; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve Low-Dimensional Copper(II) Complexes with the Trinucleating Ligand 2,4,6-Tris(di-2-pyridylamine)-1,3,5-triazine: Synthesis, Crystal Structures, and Magnetic Properties Inorganic Chemistry 48 (2009) 6630-6640
Space group: P c a b
Cell volume: 8077.1
Cell parameters: 15.1193; 21.965; 24.3216; 90; 90; 90;

COD ID: 4304503

Formula: - C19 H32 Cl2 Fe N6 Na O8 -
Comments: Hsiao-Wen Huang; Chih-Chin Tsou; Ting-Shen Kuo; Wen-Feng Liaw New Members of a Class of Dinitrosyliron Complexes (DNICs): Interconversion and Spectroscopic Discrimination of the Anionic {Fe(NO)2}9[(NO)2Fe(C3H3N2)2]- and [(NO)2Fe(C3H3N2)(SR)]- (C3H3N2= Deprotonated Imidazole; R =tBu, Et, Ph) Inorganic Chemistry 47 (2008) 2196-2204
Space group: P c a b
Cell volume: 5827.2
Cell parameters: 13.3352; 20.2099; 21.6219; 90; 90; 90;

COD ID: 4304781

Formula: - B2 H14 Mg N2 -
Comments: Grigorii L. Soloveichik; Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao Ammine Magnesium Borohydride Complex as a New Material for Hydrogen Storage: Structure and Properties of Mg(BH4)2.2NH3 Inorganic Chemistry 47 (2008) 4290-4298
Space group: P c a b
Cell volume: 1437.12
Cell parameters: 17.4872; 9.4132; 8.7304; 90; 90; 90;

COD ID: 4306112

Formula: - C27 H63 I9 N9 O9 Pb3 Y -
Comments: Shashank Mishra; Erwann Jeanneau; Stéphane Daniele; Gilles Ledoux; Prakash N. Swamy Solid- and Solution Phase Transformations in Novel Hybrid Iodoplumbate Derivatives Templated by Solvated Yttrium Complexes Inorganic Chemistry 47 (2008) 9333-9343
Space group: P c a b
Cell volume: 12655.2
Cell parameters: 22.1948; 23.6739; 24.0851; 90; 90; 90;

COD ID: 4308683

Formula: - C8 H4 Co N6 O6 -
Comments: Elisa Barea; M. Angustias Romero; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi Structure, Spectroscopic Properties, and Reversible Solid-to-Solid Reactions of Metal Complexes of 5-Nitro-pyrimidin-2-olate Inorganic Chemistry 44 (2005) 1472-1481
Space group: P c a b
Cell volume: 2273.68
Cell parameters: 24.8865; 9.67178; 9.44625; 90; 90; 90;

COD ID: 4308684

Formula: - C8 H4 N6 O6 Zn -
Comments: Elisa Barea; M. Angustias Romero; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi Structure, Spectroscopic Properties, and Reversible Solid-to-Solid Reactions of Metal Complexes of 5-Nitro-pyrimidin-2-olate Inorganic Chemistry 44 (2005) 1472-1481
Space group: P c a b
Cell volume: 2299.34
Cell parameters: 25.3228; 9.62696; 9.43197; 90; 90; 90;

COD ID: 4310465

Formula: - C8 H14 N4 Ni O6 -
Comments: Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi Coordination Frameworks Containing the Pyrimidin-4-olate Ligand. Synthesis, Thermal, Magnetic, and ab Initio XRPD Structural Characterization of Nickel and Zinc Derivatives Inorganic Chemistry 43 (2004) 473-481
Space group: P c a b
Cell volume: 1170.37
Cell parameters: 13.42758; 12.90329; 6.75501; 90; 90; 90;

COD ID: 4311316

Formula: - Al Co H31 Mo6 O36 -
Comments: Catherine Martin; Carole Lamonier; Michel Fournier; Olivier Mentré; Virginie Harlé; Denis Guillaume; Edmond Payen Preparation and Characterization of 6-Molybdocobaltate and 6-Molybdoaluminate Cobalt Salts. Evidence of a New Heteropolymolybdate Structure Inorganic Chemistry 43 (2004) 4636-4644
Space group: P c a b
Cell volume: 6258
Cell parameters: 11.14; 23.002; 24.423; 90; 90; 90;

COD ID: 4311317

Formula: - Co2 H31 Mo6 O36 -
Comments: Catherine Martin; Carole Lamonier; Michel Fournier; Olivier Mentré; Virginie Harlé; Denis Guillaume; Edmond Payen Preparation and Characterization of 6-Molybdocobaltate and 6-Molybdoaluminate Cobalt Salts. Evidence of a New Heteropolymolybdate Structure Inorganic Chemistry 43 (2004) 4636-4644
Space group: P c a b
Cell volume: 6262
Cell parameters: 11.139; 22.96; 24.486; 90; 90; 90;

COD ID: 4317691

Formula: - C10 H15 Ir N2 O6 -
Comments: Hani Amouri; Carine Guyard-Duhayon; Jacqueline Vaissermann; Marie Noelle Rager (η5-Pentamethylcyclopentadienyl)rhodium and -iridium Complexes with Weakly and Strongly Coordinating Anions: Isolation and First X-ray Molecular Structures of the Tris(solvent) Complexes [(C5Me5)M(acetone)2(H2O)][BF4]2 (M = Rh, Ir) Inorganic Chemistry 41 (2002) 1397-1403
Space group: P c a b
Cell volume: 2779
Cell parameters: 13.032; 14.37; 14.839; 90; 90; 90;

COD ID: 4320233
CIF file	Formula: - C31 H24 Fe N3 O4 P - Comments: Thomas S. Barnard; Mark R. Mason Hindered Axial-Equatorial Carbonyl Exchange in an Fe(CO)4(PR3) Complex of a Rigid Bicyclic Phosphine Inorganic Chemistry 40 (2001) 5001-5009 Space group: P c a b Cell volume: 5668.3 Cell parameters: 8.7425; 18.0742; 35.872; 90; 90; 90;

COD ID: 4320815

Formula: - C6 H4 Cu2 O12 -
Comments: Catalina Ruiz-Pérez; Joaquín Sanchiz; María Hernández Molina; Francesc Lloret; Miguel Julve Ferromagnetism in Malonato-Bridged Copper(II) Complexes. Synthesis, Crystal Structures, and Magnetic Properties of {[Cu(H2O)3][Cu(mal)2(H2O)]}n and {[Cu(H2O)4]2[Cu(mal)2(H2O)]}[Cu(mal)2(H2O)2]{[Cu(H2O)4][Cu(mal)2(H2O)2]} (H2mal = malonic Acid) Inorganic Chemistry 39 (2000) 1363-1370
Space group: P c a b
Cell volume: 2377.7
Cell parameters: 10.3387; 13.222; 17.394; 90; 90; 90;

COD ID: 4320949

Formula: - C26 H30 N2 O2 P Re S -
Comments: Berthold Nock; Theodosia Maina; Francesco Tisato; Minas Papadopoulos; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis Synthesis and Characterization of Six-Coordinate "3 + 2" Mixed-Ligand Oxorhenium Complexes with theo-Diphenylphosphinophenolato Ligand and Tridentate Coligands of Different N and S Donor Atom Combinations Inorganic Chemistry 39 (2000) 2178-2184
Space group: P c a b
Cell volume: 5050.5
Cell parameters: 14.328; 18.603; 18.948; 90; 90; 90;

COD ID: 4321311

Formula: - C13 H15 F4 Fe N3 O2 P4 S -
Comments: K. Muralidharan; N. Dastagiri Reddy; Anil J. Elias Syntheses of Novel Exo and Endo Isomers of Ansa-Substituted Fluorophosphazenes and Their Facile Transformations into Spiro Isomers in the Presence of Fluoride Ions Inorganic Chemistry 39 (2000) 3988-3994
Space group: P c a b
Cell volume: 4143
Cell parameters: 9.401; 14.712; 29.956; 90; 90; 90;

COD ID: 4321702
CIF file	Formula: - C59 H55 Cl3 F12 N P6 Re - Comments: Annette L. Suing; Charlotte R. Dewan; Peter S. White; H. Holden Thorp Ethanol Oxidation by Imidorhenium(V) Complexes: Formation of Amidorhenium(III) Complexes Inorganic Chemistry 39 (2000) 6080-6085 Space group: P c a b Cell volume: 12050.8 Cell parameters: 22.3075; 23.1272; 23.3584; 90; 90; 90;

COD ID: 4322290
CIF file	Formula: - C52 H62 O4 S3 Se6 Sm4 - Comments: Deborah Freedman; Thomas J. Emge; John G. Brennan (THF)8Ln8E6(EPh)12 Cluster Reactivity: Systematic Control of Ln, E, EPh, and Neutral Donor Ligands Inorganic Chemistry 38 (1999) 4400-4404 Space group: P c a b Cell volume: 11589 Cell parameters: 19.803; 22.446; 26.072; 90; 90; 90;

COD ID: 4322715

Formula: - C28.5 H64 O5 P4 W2 -
Comments: Malcolm H. Chisholm; Kirsten Folting; Keith S. Kramer; William E. Streib Preparation and Characterization of (iPrO)4WW(η2-dmpe)2(CO), (η1-O2CH)(iPrO)4WW(η2-dmpe)2(H), [H(η2-dmpe)WWO2]2(μ-O), and W2(O)4(μ-O)[W(η2-dmpe)2CO]2 (dmpe = Bisdimethylphosphinomethane), Compounds with W-W Bonds between Metal Atoms in Greatly Differing Oxidation States Inorganic Chemistry 37 (1998) 1549-1554
Space group: P c a b
Cell volume: 7699
Cell parameters: 19.546; 21.745; 18.114; 90; 90; 90;

COD ID: 4322993
CIF file	Formula: - C12 H27 B F4 O3 Pt - Comments: Henrik Junicke; Clemens Bruhn; Dieter Ströhl; Ralph Kluge; Dirk Steinborn The First Platinum(IV) Complexes with Glucopyranoside Ligands. A New Coordination Mode of Carbohydrates Inorganic Chemistry 37 (1998) 4603-4606 Space group: P c a b Cell volume: 3856.7 Cell parameters: 15.599; 15.685; 15.763; 90; 90; 90;

COD ID: 4323133
CIF file	Formula: - Co2 H8 O11 P2 - Comments: Nobuaki Hamanaka; Hideo Imoto Syntheses, Structures, and Magnetic Properties of Metal(II) Phosphates with M(OH)(PO4)2- Layers (M = Ni, Co, Mg) Inorganic Chemistry 37 (1998) 5844-5850 Space group: P c a b Cell volume: 1711.8 Cell parameters: 8.443; 13.094; 15.484; 90; 90; 90;

COD ID: 4323634
CIF file	Formula: - C26 H22 Fe2 - Comments: Cendrine Patoux; Christophe Coudret; Jean-Pierre Launay; Christian Joachim; André Gourdon Topological Effects on Intramolecular Electron Transfer via Quantum Interference Inorganic Chemistry 36 (1997) 5037-5049 Space group: P c a b Cell volume: 3911.2 Cell parameters: 9.426; 9.909; 41.875; 90; 90; 90;

COD ID: 4329314

Formula: - C5 H13 K2 N O13 V2 -
Comments: C. Gabriel; E. Kioseoglou; J. Venetis; V. Psycharis; C. P. Raptopoulou; A. Terzis; G. Voyiatzis; M. Bertmer; C. Mateescu; A. Salifoglou pH-Specific Structural Speciation of the Ternary V(V)-Peroxido-Betaine System: A Chemical Reactivity-Structure Correlation Inorganic Chemistry 51 (2012) 6056-6069
Space group: P c a b
Cell volume: 3122
Cell parameters: 12.211; 11.481; 22.266; 90; 90; 90;

COD ID: 4331378
CIF file	Formula: - C82 H128.83 Be2 Cl2 K2 N4 O12 - Comments: Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry Inorganic Chemistry 51 (2012) 13408-13418 Space group: P c a b Cell volume: 8669.1 Cell parameters: 18.2948; 18.8402; 25.1512; 90; 90; 90;

COD ID: 4332389

Formula: - C28 H18 Mo2 O6 -
Comments: Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters† Inorganic Chemistry 45(15) (2006) 5852-5866
Space group: P c a b
Cell volume: 2390.6
Cell parameters: 7.577; 12.608; 25.024; 90; 90; 90;

COD ID: 4332706

Formula: - C11 H25 Cl3 Co N3 O4 S2 -
Comments: Aullón, Gabriel; Bernhardt, Paul V.; Bozoglián, Fernando; Font-Bardía, Mercè; Macpherson, Brendan P.; Martínez, Manuel; Rodríguez, Carlos; Solans, Xavier Isomeric Distribution and Catalyzed Isomerization of Cobalt(III) Complexes with Pentadentate Macrocyclic Ligands. Importance of Hydrogen Bonding Inorganic Chemistry 45(21) (2006) 8551-8562
Space group: P c a b
Cell volume: 3851
Cell parameters: 12.908; 12.997; 22.956; 90; 90; 90;

COD ID: 4333519
CIF file	Formula: - F2 K N O4 S2 - Comments: Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs) Inorganic Chemistry 52 (2013) 568-576 Space group: P c a b Cell volume: 2469.09 Cell parameters: 12.0147; 14.315; 14.356; 90; 90; 90;

COD ID: 4333520
CIF file	Formula: - F2 K N O4 S2 - Comments: Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs) Inorganic Chemistry 52 (2013) 568-576 Space group: P c a b Cell volume: 2395.75 Cell parameters: 11.9661; 13.912; 14.3913; 90; 90; 90;

COD ID: 4338635
CIF file	Formula: - C24 H38 Al N P2 - Comments: Lee, Pei-Ying; Liang, Lan-Chang Synthesis and Structural Characterization of Five-Coordinate Aluminum Complexes Containing Diarylamido Diphosphine Ligands Inorganic chemistry 48(12) (2009) 5480-5487 Space group: P c a b Cell volume: 10241.9 Cell parameters: 11.6641; 29.3264; 29.9414; 90; 90; 90;

COD ID: 4342618

Formula: - C4 H16 Cl4 Fe N2 -
Comments: Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4]. Inorganic chemistry 54(6) (2015) 2866-2874
Space group: P c a b
Cell volume: 1129.68
Cell parameters: 7.1404; 7.3032; 21.6631; 90; 90; 90;

COD ID: 4342620
CIF file	Formula: - C4 H16 Cl4 Fe N2 - Comments: Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4]. Inorganic chemistry 54(6) (2015) 2866-2874 Space group: P c a b Cell volume: 1122.49 Cell parameters: 7.101; 7.298; 21.66; 90; 90; 90;

COD ID: 4342624
CIF file	Formula: - C4 H16 Cl4 Fe N2 - Comments: Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4]. Inorganic chemistry 54(6) (2015) 2866-2874 Space group: P c a b Cell volume: 1126.3 Cell parameters: 7.103; 7.311; 21.688; 90; 90; 90;

COD ID: 4342625
CIF file	Formula: - C4 H16 Cl4 Fe N2 - Comments: Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4]. Inorganic chemistry 54(6) (2015) 2866-2874 Space group: P c a b Cell volume: 1129.8 Cell parameters: 7.185; 7.252; 21.683; 90; 90; 90;

COD ID: 4342626
CIF file	Formula: - C4 H16 Cl4 Fe N2 - Comments: Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4]. Inorganic chemistry 54(6) (2015) 2866-2874 Space group: P c a b Cell volume: 1141.3 Cell parameters: 7.206; 7.283; 21.746; 90; 90; 90;

COD ID: 4345224

Formula: - C40 H32 Cu2 N8 O42 Si W12 -
Comments: Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate. Inorganic chemistry 56(5) (2017) 2481-2489
Space group: P c a b
Cell volume: 6506.6
Cell parameters: 17.1442; 18.398; 20.6284; 90; 90; 90;

COD ID: 4501041

Formula: - C50 H46 Cu F6 N2 O P3 -
Comments: Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E. 1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers Crystal Growth & Design 11(10) (2011) 4313
Space group: P c a b
Cell volume: 8950.1
Cell parameters: 19.0455; 19.2388; 24.4262; 90; 90; 90;

COD ID: 4501690
CIF file	Formula: - C15 H15 F2 N3 O3 - Comments: Long, Sihui; Li, Tonglei Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids Crystal Growth & Design 10(6) (2010) 2465 Space group: P c a b Cell volume: 3085.7 Cell parameters: 6.1189; 13.6856; 36.8482; 90; 90; 90;

COD ID: 4502383
CIF file	Formula: - C6 H24 Mo N6 Ni S4 - Comments: Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M. Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni) Crystal Growth & Design 10(2) (2010) 669 Space group: P c a b Cell volume: 3372 Cell parameters: 14.02; 14.821; 16.23; 90; 90; 90;

COD ID: 4502384
CIF file	Formula: - C6 H24 Co Mo N6 S4 - Comments: Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M. Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni) Crystal Growth & Design 10(2) (2010) 669 Space group: P c a b Cell volume: 3386.1 Cell parameters: 14.054; 14.856; 16.218; 90; 90; 90;

COD ID: 4502385
CIF file	Formula: - C6 H24 Mn Mo N6 S4 - Comments: Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M. Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni) Crystal Growth & Design 10(2) (2010) 669 Space group: P c a b Cell volume: 3458 Cell parameters: 14.305; 14.786; 16.348; 90; 90; 90;

COD ID: 4502492

Formula: - C6 H8 Cd2 N10 O4 -
Comments: Li, Dong-Ping; Zhou, Xin-Hui; Liang, Xiao-Qiang; Li, Cheng-Hui; Chen, Chao; Liu, Jian; You, Xiao-Zeng Novel Structural Diversity of Triazolate-Based Coordination Polymers Generated Solvothermally with Anions Crystal Growth & Design 10(5) (2010) 2136
Space group: P c a b
Cell volume: 3189.5
Cell parameters: 8.0222; 18.1099; 21.954; 90; 90; 90;

COD ID: 4509240
CIF file	Formula: - C16 H14 N2 Ni O2 - Comments: Siegler, Maxime A.; Lutz, Martin Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms Crystal Growth & Design 9(2) (2009) 1194 Space group: P c a b Cell volume: 2621.4 Cell parameters: 13.6845; 7.3769; 25.9675; 90; 90; 90;

COD ID: 4510904
CIF file	Formula: - C10 H10 Cl2 N2 O2 - Comments: Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks? Crystal Growth & Design 11(12) (2011) 5200 Space group: P c a b Cell volume: 1150.07 Cell parameters: 7.3066; 9.8027; 16.057; 90; 90; 90;

COD ID: 4510931
CIF file	Formula: - C8 H9 N O2 - Comments: Thomas, Lynne H.; Wales, Craig; Zhao, Lihua; Wilson, Chick C. Paracetamol Form II: An Elusive Polymorph through Facile Multicomponent Crystallization Routes Crystal Growth & Design 11(5) (2011) 1450 Space group: P c a b Cell volume: 1456.22 Cell parameters: 7.2028; 11.7764; 17.1677; 90; 90; 90;

COD ID: 4511525

Formula: - C33 H20 O9 -
Comments: Clews, Peter K.; Douthwaite, Richard E.; Kariuki, Benson M.; Moore, Terry; Taboada, Miguel Layered Compounds Incorporating 9,9‘-Spirobifluorene: Hydrogen-Bonded and Metal−Organic Networks Derived from 9,9‘-Spirobifluorene-2,2‘,7,7‘-tetracarboxylic Acid Crystal Growth & Design 6(9) (2006) 1991
Space group: P c a b
Cell volume: 7345.9
Cell parameters: 10.6433; 17.6587; 39.085; 90; 90; 90;

COD ID: 4517566

Formula: - C320 H256 N16 O16 -
Comments: Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy. ACS applied materials & interfaces (2020)
Space group: P c a b
Cell volume: 6184.1
Cell parameters: 16.827; 16.972; 21.654; 90; 90; 90;

COD ID: 5000128
CIF file	Formula: - C17 H19 Cl F3 N O - Comments: Robertson, David W.; Jones, Noel D.; Swartzendruber, John K.; Yang, Kuo S.; Wong, David T. Molecular structure of fluoxetine hydrochloride, a highly selective serotonin-uptake inhibitor Journal of Medicinal Chemistry 31(1) (1988) 185-189 Space group: P c a b Cell volume: 3513.21 Cell parameters: 10.457; 10.387; 32.345; 90; 90; 90;

COD ID: 5000308
CIF file	Formula: - C15 H23 Cl3 P2 Zr - Comments: () Space group: P c a b Cell volume: 3760.1 Cell parameters: 13.707; 14.459; 18.973; 90; 90; 90;

COD ID: 5900032
CIF file	Formula: - C2 H2 O4 - Comments: Strukturbericht 3 () 671 Space group: P c a b Cell volume: 312.62 Cell parameters: 6.546; 7.847; 6.086; 90; 90; 90;

COD ID: 6000390
CIF file	Formula: - Co2 H8 O11 P2 - Comments: Hamanaka, N.; Imoto, H. Syntheses, structures, and magnetic properties of metal(II) phosphates with M(OH)(PO4)(2): Layers (M = Ni, Co, Mg) Inorganic Chemistry 37 (1998) 5844-5850 Space group: P c a b Cell volume: 1680.47 Cell parameters: 8.343; 13.093; 15.384; 90; 90; 90;

COD ID: 7001884

Formula: - C20 H16 N2 O2 -
Comments: Constable, Edwin C.; Redondo, Ana Hernandez; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia Copper(i) complexes of 6,6′-disubstituted 2,2′-bipyridine dicarboxylic acids: new complexes for incorporation into copper-based dye sensitized solar cells (DSCs) Dalton Transactions (issue 33) (2009) 6634-6644
Space group: P c a b
Cell volume: 1554.64
Cell parameters: 6.5194; 12.1847; 19.5707; 90; 90; 90;

COD ID: 7002774
CIF file	Formula: - C33 H48 N2 O Sr - Comments: Crimmin, Mark R.; Barrett, Anthony G. M.; Hill, Michael S.; MacDougall, Dugald J.; Mahon, Mary F.; Procopiou, Panayiotis A. β-Diketiminate C‒H activation with heavier group 2 alkyls Dalton Transactions (issue 44) (2009) 9715-9717 Space group: P c a b Cell volume: 6260.76 Cell parameters: 13.4819; 21.4266; 21.6732; 90; 90; 90;

COD ID: 7004244
CIF file	Formula: - C11 H13 Hg N O S2 - Comments: Singh, Nanhai; Kumar, Abhinav; Molloy, Kieran C.; Mahon, Mary F. Syntheses, crystal and molecular structures, and properties of some new phenylmercury(ii) dithiolate complexes Dalton Transactions (issue 37) (2008) 4999-5007 Space group: P c a b Cell volume: 2458.78 Cell parameters: 9.43; 12.031; 21.6724; 90; 90; 90;

COD ID: 7004687
CIF file	Formula: - C16 H34 Co P3 S - Comments: Beck, Robert; Frey, Markus; Camadanli, Sebnem; Klein, Hans-Friedrich Four- and five-membered cobaltacycles by regioselective cyclometallation of benzyl sulfide derivatives via Co(v) intermediates Dalton Transactions (issue 37) (2008) 4981-4983 Space group: P c a b Cell volume: 4242.7 Cell parameters: 12.3187; 12.7608; 26.99; 90; 90; 90;

COD ID: 7005125

Formula: - C50 H62 N6 P2 Pd2 S2 -
Comments: Chang, Xiaohong; Kim, Mi-Young; Kim, Yong-Joo; Huh, Hyun Sue; Lee, Soon W. Dinuclear palladium-azido complexes containing thiophene derivatives: reactivity toward organic isocyanides and isothiocyanates. Dalton transactions (Cambridge, England : 2003) (issue 7) (2007) 792-801
Space group: P c a b
Cell volume: 5116.7
Cell parameters: 39.276; 8.758; 14.875; 90; 90; 90;

COD ID: 7006584

Formula: - C20 H18 Cu2 N6 O4 -
Comments: Mukherjee, Jhumpa; Mukherjee, Rabindranath Reaction with dioxygen of a Cu(I) complex of 1-benzyl-[3-(2'-pyridyl)]pyrazole triggers ethyl acetate hydrolysis: acetato-/pyrazolato-, dihydroxo- and diacetato-bridged Cu(II) complexes. Dalton transactions (Cambridge, England : 2003) (issue 13) (2006) 1611-1621
Space group: P c a b
Cell volume: 1950.2
Cell parameters: 17.217; 6.42; 17.644; 90; 90; 90;

COD ID: 7007570
CIF file	Formula: - C26 H63 P5 Pt2 - Comments: Jones, Cameron; Schulten, Christian; Stasch, Andreas The first complexes and cyclodimerisations of methylphosphaalkyne (P[triple bond]CMe). Dalton transactions (Cambridge, England : 2003) (issue 31) (2006) 3733-3735 Space group: P c a b Cell volume: 7110 Cell parameters: 14.46; 20.302; 24.218; 90; 90; 90;

COD ID: 7008795

Formula: - C13 H18 N6 -
Comments: García-Raso, Angel; Fiol, Juan J.; Tasada, Andrés; Albertí, Francisca M.; Molins, Elies; Basallote, Manuel G.; Máñez, María A.; Fernández-Trujillo, María J.; Sánchez, David Ag(i) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete metallomacrocyclic frames. A structural and solution study Dalton Transactions (issue 23) (2005) 3763
Space group: P c a b
Cell volume: 2726.4
Cell parameters: 8.4387; 17.711; 18.242; 90; 90; 90;

COD ID: 7009123

Formula: - C12 H17 Mo N3 S3 -
Comments: Davies, Sian C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger Molybdenum and tungsten complexes of the N(CH2CH2S)33− (NS3) ligand with oxide, sulfide, diazenide, hydrazide and nitrosyl co-ligands Journal of the Chemical Society, Dalton Transactions (issue 5) (2000) 719
Space group: P c a b
Cell volume: 3145.6
Cell parameters: 15.1833; 12.2873; 16.861; 90; 90; 90;

COD ID: 7009534

Formula: - C48 H48 Ag4 N8 O16 S4 -
Comments: Su, Cheng-Yong; Liao, Sen; Zhu, Hai-Liang; Kang, Bei-Sheng; Chen, Xiao-Ming; Liu, Han-Qin Silver(I) complexes with quinoline based linear multidentate ligands: self-assembly of sulfur-bridged tetrametallotricyclic boxes † Journal of the Chemical Society, Dalton Transactions (issue 13) (2000) 1985
Space group: P c a b
Cell volume: 5577
Cell parameters: 14.981; 16.923; 21.999; 90; 90; 90;

COD ID: 7010610

Formula: - C7 H15 Cd N5 Se2 -
Comments: Maji, Tapas Kumar; Sain, Saugata; Mostafa, Golam; Das, Debasis; Lu, Tian-Huey; Chaudhuri, Nirmalendu Ray Synthesis and crystal structure of selenocyanato bridged two dimensional supramolecular coordination compounds of cadmium(ii)Electronic supplementary information (ESI) available: Coreyâ€“Paulingâ€“Koltun diagram of 2. See http://www.rsc.org/suppdata/dt/b1/b101064f/ Journal of the Chemical Society, Dalton Transactions (issue 21) (2001) 3149
Space group: P c a b
Cell volume: 2715.5
Cell parameters: 11.357; 12.311; 19.422; 90; 90; 90;

COD ID: 7014783

Formula: - C34 H33 Br Cl2 P2 W -
Comments: Lancashire, Hannah N.; Brown, Neil J.; Carthy, Laura; Collison, David; Fitzgerald, Emma C.; Edge, Ruth; Helliwell, Madeleine; Holden, Mark; Low, Paul J.; McDouall, Joseph J. W.; Whiteley, Mark W. Synthesis, spectroscopy and electronic structure of the vinylidene and alkynyl complexes [W(C=CHR)(dppe)(η-C₇H₇)](+) and [W(C≡CR)(dppe)(η-C₇H₇](n+) (n = 0 or 1). Dalton transactions (Cambridge, England : 2003) 40(6) (2011) 1267-1278
Space group: P c a b
Cell volume: 6107.5
Cell parameters: 23.3121; 9.3925; 27.8933; 90; 90; 90;

COD ID: 7014850

Formula: - C19 H31 N O2 -
Comments: Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters. Dalton transactions (Cambridge, England : 2003) 40(2) (2011) 523-534
Space group: P c a b
Cell volume: 3622.1
Cell parameters: 8.8637; 10.15; 40.261; 90; 90; 90;

COD ID: 7015192

Formula: - C18 H12 N2 O Pd -
Comments: Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands. Dalton transactions (Cambridge, England : 2003) 40(14) (2011) 3537-3546
Space group: P c a b
Cell volume: 2785.9
Cell parameters: 7.732; 16.2417; 22.1839; 90; 90; 90;

COD ID: 7015722

Formula: - C18 H20 Ag2 N4 O8 -
Comments: Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J. Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand. Dalton transactions (Cambridge, England : 2003) 40(20) (2011) 5483-5493
Space group: P c a b
Cell volume: 2094.55
Cell parameters: 7.389; 15.962; 17.759; 90; 90; 90;

COD ID: 7016669

Formula: - C43 H43 Cl N4 Ni O7 -
Comments: Grubel, Katarzyna; Ingle, Gajendrasingh K.; Fuller, Amy L.; Arif, Atta M.; Berreau, Lisa M. Influence of water on the formation of O(2)-reactive divalent metal enolate complexes of relevance to acireductone dioxygenases. Dalton transactions (Cambridge, England : 2003) 40(40) (2011) 10609-10620
Space group: P c a b
Cell volume: 7755.2
Cell parameters: 16.0204; 19.2924; 25.0918; 90; 90; 90;

COD ID: 7016915

Formula: - C27 H19 Br N3 O4 Re -
Comments: Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications. Dalton transactions (Cambridge, England : 2003) 40(39) (2011) 10215-10228
Space group: P c a b
Cell volume: 4967.9
Cell parameters: 17.395; 13.956; 20.464; 90; 90; 90;

COD ID: 7017107
CIF file	Formula: - C39 H55 Al N2 O2 - Comments: Whitelaw, Emma L.; Loraine, Gaynor; Mahon, Mary F.; Jones, Matthew D. Salalen aluminium complexes and their exploitation for the ring opening polymerisation of rac-lactide. Dalton transactions (Cambridge, England : 2003) 40(43) (2011) 11469-11473 Space group: P c a b Cell volume: 7290.7 Cell parameters: 10.04; 22.875; 31.745; 90; 90; 90;

COD ID: 7018671

Formula: - C41 H41 Cl2 O2 P Ru -
Comments: Kabro, Anzhelika; Ghattas, Ghazi; Roisnel, Thierry; Fischmeister, Cédric; Bruneau, Christian New ruthenium metathesis catalysts with chelating indenylidene ligands: synthesis, characterization and reactivity. Dalton transactions (Cambridge, England : 2003) 41(13) (2012) 3695-3700
Space group: P c a b
Cell volume: 7259.4
Cell parameters: 11.309; 23.9659; 26.7843; 90; 90; 90;

COD ID: 7019795

Formula: - C45 H45 Mo12 N3 O46 P Zn4 -
Comments: Rodriguez-Albelo, L Marleny; Rousseau, Guillaume; Mialane, Pierre; Marrot, Jérôme; Mellot-Draznieks, Caroline; Ruiz-Salvador, A Rabdel; Li, Shiwen; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Dolbecq, Anne ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids. Dalton transactions (Cambridge, England : 2003) 41(33) (2012) 9989-9999
Space group: P c a b
Cell volume: 16929
Cell parameters: 17.563; 30.229; 31.886; 90; 90; 90;

COD ID: 7022572

Formula: - C22 H46 Cu2 N4 O2 -
Comments: Willcocks, Alexander M.; Pugh, Thomas; Hamilton, Jeff A.; Johnson, Andrew L.; Richards, Stephen P.; Kingsley, Andrew J. CVD of pure copper films from novel iso-ureate complexes. Dalton transactions (Cambridge, England : 2003) 42(15) (2013) 5554-5565
Space group: P c a b
Cell volume: 2613.42
Cell parameters: 11.061; 12.933; 18.269; 90; 90; 90;

COD ID: 7022808

Formula: - C42 H61 N4 O3 Si2 Y -
Comments: Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides. Dalton transactions (Cambridge, England : 2003) 42(16) (2013) 5890-5901
Space group: P c a b
Cell volume: 8916
Cell parameters: 8.6929; 52.4298; 19.5627; 90; 90; 90;

COD ID: 7024699

Formula: - C150 H118 La2 N2 O9 Si4 -
Comments: Grunova, Ekaterina; Kirillov, Evgueni; Roisnel, Thierry; Carpentier, Jean-François Group 3 metal complexes supported by tridentate pyridine- and thiophene-linked bis(naphtholate) ligands: synthesis, structure, and use in stereoselective ring-opening polymerization of racemic lactide and beta-butyrolactone. Dalton transactions (Cambridge, England : 2003) 39(29) (2010) 6739-6752
Space group: P c a b
Cell volume: 26098
Cell parameters: 22.4713; 29.6425; 39.18; 90; 90; 90;

COD ID: 7027442

Formula: - C38 H59 O2 Sb -
Comments: Jones, Cameron; Steed, Jonathan W.; Thomas, Ryan C. Compounds containing λ3,σ2-SbC bonds: synthesis and structural characterisation of the first stiba-enol, Mes*C(O)SbC(OH)Mes* (Mes* = C6H2But3-2,4,6) and a 2,3-distibabutadiene, {Mes(Me3SiO)CSb}2 (Mes = C6H2Me3-2,4,6) † Journal of the Chemical Society, Dalton Transactions (issue 10) (1999) 1541
Space group: P c a b
Cell volume: 7216.9
Cell parameters: 11.4906; 20.0826; 31.2742; 90; 90; 90;

COD ID: 7030864

Formula: - C8 H25 N2 O9 P3 -
Comments: Mangstl, Martin; Celinski, Vinicius R.; Johansson, Sebastian; Weber, Johannes; An, Feng; Schmedt Auf der Günne, Jörn Low temperature synthesis of ionic phosphates in dimethyl sulfoxide. Dalton transactions (Cambridge, England : 2003) 43(26) (2014) 10033-10039
Space group: P c a b
Cell volume: 3501.7
Cell parameters: 10.50568; 10.9861; 30.33966; 90; 90; 90;

COD ID: 7031615

Formula: - C44 H62 Cl4 N12 O16.5 P2 Ru2 S6 -
Comments: Iengo, E.; Demitri, N.; Balducci, G.; Alessio, E. An irresolute linker: separation, and structural and spectroscopic characterization of the two linkage isomers of a Ru(ii)-(2-(2'-pyridyl)pyrimidine-4-carboxylic acid) complex. Dalton transactions (Cambridge, England : 2003) 43(32) (2014) 12160-12163
Space group: P c a b
Cell volume: 13889
Cell parameters: 20.543; 24.132; 28.016; 90; 90; 90;

COD ID: 7033285

Formula: - C18 H17 Fe N2 S2 Tl -
Comments: Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai Intermolecular Tl···H-C anagostic interactions in luminescent pyridyl functionalized thallium(I) dithiocarbamates. Dalton transactions (Cambridge, England : 2003) 44(4) (2015) 1716-1723
Space group: P c a b
Cell volume: 3802
Cell parameters: 9.6634; 10.5339; 37.35; 90; 90; 90;

COD ID: 7033562

Formula: - C54 H94 Cu6 N34 O20 -
Comments: Pitarch-Jarque, Javier; Belda, Raquel; Lloret, Francesc; Ferrando-Soria, Jesús; Navarro, Pilar; Lopera, Alberto; García-España, Enrique "3 + 1 = 6 + 2" in Cu(ii) coordination chemistry of 1H-pyrazole aza cryptands. Dalton transactions (Cambridge, England : 2003) 44(7) (2015) 3378-3383
Space group: P c a b
Cell volume: 7570.34
Cell parameters: 29.507; 12.23; 20.978; 90; 90; 90;

COD ID: 7034168

Formula: - C27 H28 Fe2 S -
Comments: Kowalski, Konrad; Karpowicz, Rafał; Mlostoń, Grzegorz; Miesel, Dominique; Hildebrandt, Alexander; Lang, Heinrich; Czerwieniec, Rafał; Therrien, Bruno Synthesis and (spectro)electrochemistry of mixed-valent diferrocenyl-dihydrothiopyran derivatives. Dalton transactions (Cambridge, England : 2003) 44(13) (2015) 6268-6276
Space group: P c a b
Cell volume: 4337.1
Cell parameters: 9.7243; 13.7133; 32.524; 90; 90; 90;

COD ID: 7035009

Formula: - C41 H22 Cu F26 N2 O P3 -
Comments: Nishikawa, Michihiro; Wakita, Yuri; Nishi, Tatsuya; Miura, Takumi; Tsubomura, Taro Long-lived and oxygen-responsive photoluminescence in the solid state of copper(i) complexes bearing fluorinated diphosphine and bipyridine ligands. Dalton transactions (Cambridge, England : 2003) 44(19) (2015) 9170-9181
Space group: P c a b
Cell volume: 9454.5
Cell parameters: 20.0258; 20.3253; 23.228; 90; 90; 90;

COD ID: 7036510

Formula: - C25 H22 Fe N2 Ni O2 -
Comments: Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study. Dalton transactions (Cambridge, England : 2003) 44(41) (2015) 18019-18037
Space group: P c a b
Cell volume: 4089
Cell parameters: 7.5236; 22.6943; 23.9482; 90; 90; 90;

COD ID: 7040470

Formula: - C96 H204 Dy Mo16 N13 O52 -
Comments: Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio Single ion magnets based on lanthanoid polyoxomolybdate complexes. Dalton transactions (Cambridge, England : 2003) 45(42) (2016) 16653-16660
Space group: P c a b
Cell volume: 27898.8
Cell parameters: 17.7626; 32.9141; 47.7196; 90; 90; 90;

COD ID: 7040471

Formula: - C96 H204 Ho Mo16 N13 O52 -
Comments: Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio Single ion magnets based on lanthanoid polyoxomolybdate complexes. Dalton transactions (Cambridge, England : 2003) 45(42) (2016) 16653-16660
Space group: P c a b
Cell volume: 28129.9
Cell parameters: 17.8839; 32.8402; 47.8961; 90; 90; 90;

COD ID: 7040472

Formula: - C96 H204 Er Mo16 N13 O52 -
Comments: Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio Single ion magnets based on lanthanoid polyoxomolybdate complexes. Dalton transactions (Cambridge, England : 2003) 45(42) (2016) 16653-16660
Space group: P c a b
Cell volume: 28439.5
Cell parameters: 17.811; 33.158; 48.1554; 90; 90; 90;

COD ID: 7040473

Formula: - C96 H204 Mo16 N13 O52 Tm -
Comments: Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio Single ion magnets based on lanthanoid polyoxomolybdate complexes. Dalton transactions (Cambridge, England : 2003) 45(42) (2016) 16653-16660
Space group: P c a b
Cell volume: 28008.1
Cell parameters: 17.8375; 32.8499; 47.7986; 90; 90; 90;

COD ID: 7040474

Formula: - C96 H204 Mo16 N13 O52 Yb -
Comments: Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio Single ion magnets based on lanthanoid polyoxomolybdate complexes. Dalton transactions (Cambridge, England : 2003) 45(42) (2016) 16653-16660
Space group: P c a b
Cell volume: 28053.1
Cell parameters: 17.8722; 32.7932; 47.8651; 90; 90; 90;

COD ID: 7044610

Formula: - C17 H17 N2 O3 -
Comments: Ghosh, Tapas; Patra, Debashis; Paul, Subhabrata; Majumder, Indira; Sepay, Nayim; Bera, Sachinath; Kundu, Rita; Drew, Michael G. B. Exploring the role of substituent in the hydrazone ligand of a family of m-oxidodivanadium(V) hydrazone complexes on structure, DNA binding and anticancer activity Dalton Transactions (2017)
Space group: P c a b
Cell volume: 2856.1
Cell parameters: 7.2782; 12.8154; 30.621; 90; 90; 90;

COD ID: 7046440

Formula: - C100 H97 Mo24 N20 O88 P2 Ru2 Zn4 -
Comments: Salomon, William; Rivière, Eric; López, Xavier; Suaud, Nicolas; Mialane, Pierre; Haouas, Mohamed; Saad, Ali; Marrot, Jérôme; Dolbecq, Anne Bicapped Keggin polyoxomolybdates: discrete species and experimental and theoretical investigations on the electronic delocalization in a chain compound. Dalton transactions (Cambridge, England : 2003) 47(31) (2018) 10636-10645
Space group: P c a b
Cell volume: 17213
Cell parameters: 23.7521; 26.2871; 27.5687; 90; 90; 90;

COD ID: 7047962

Formula: - C55 H42 F12 Fe2 N20 O21 S4 -
Comments: García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid. Dalton transactions (Cambridge, England : 2003) 47(47) (2018) 16958-16968
Space group: P c a b
Cell volume: 7375.2
Cell parameters: 15.1365; 21.8413; 22.3085; 90; 90; 90;

COD ID: 7047966

Formula: - C29 H24 F6 Fe N10 O11 S2 -
Comments: García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid. Dalton transactions (Cambridge, England : 2003) 47(47) (2018) 16958-16968
Space group: P c a b
Cell volume: 7207
Cell parameters: 14.8997; 21.7329; 22.2566; 90; 90; 90;

COD ID: 7050037

Formula: - C41.24 H39.47 Br2 Cl2.47 N Ni O P2 -
Comments: Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr New Journal of Chemistry 29(2) (2005) 385
Space group: P c a b
Cell volume: 8844.7
Cell parameters: 13.535; 23.464; 27.85; 90; 90; 90;

COD ID: 7051331
CIF file	Formula: - C4 H15 Br2 N3 - Comments: New Journal of Chemistry (2000) Space group: P c a b Cell volume: 1874.9 Cell parameters: 11.6664; 9.1552; 17.5536; 90; 90; 90;

COD ID: 7051455

Formula: - C26 H28 F12 N2 P2 Ru S4 -
Comments: Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B. Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands New Journal of Chemistry 23(10) (1999) 1015-1025
Space group: P c a b
Cell volume: 6382
Cell parameters: 19.95; 14.86; 21.52; 90; 90; 90;

COD ID: 7053969

Formula: - C20 H22 Cl2 N2 -
Comments: Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina 1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides New Journal of Chemistry 38(1) (2014) 391
Space group: P c a b
Cell volume: 1911.13
Cell parameters: 13.7371; 6.922; 20.0985; 90; 90; 90;

COD ID: 7057090

Formula: - C26 H38 Mo N2 O4 -
Comments: Maurya, Mannar R.; Mengesha, Bekele; Uprety, Bhawna; Jangra, Nancy; Tomar, Reshu; Avecilla, Fernando Oxygen atom transfer between DMSO and benzoin catalyzed by cis-dioxidomolybdenum(vi) complexes of tetradentate Mannich bases New Journal of Chemistry 42(8) (2018) 6225
Space group: P c a b
Cell volume: 5145.8
Cell parameters: 12.9405; 14.038; 28.3268; 90; 90; 90;

COD ID: 7101699
CIF file	Formula: - C30 H17 N O2 - Comments: Benanti, Travis L; Saejueng, Pranorm; Venkataraman, D Segregated assemblies in bridged electron-rich and electron-poor pi-conjugated moieties. Chemical communications (Cambridge, England) (issue 7) (2007) 692-694 Space group: P c a b Cell volume: 4245 Cell parameters: 9.329; 17.981; 25.306; 90; 90; 90;

COD ID: 7103967

Formula: - C15 H27 Cl N P Si -
Comments: Wiacek, Robert J.; Macdonald, Charles L. B.; Jones, Jamie N.; Pietryga, Jeffrey M.; Cowley, Alan H. The contrasting behaviour of bridged amido-cyclopentadienyl (constrained geometry) group 15 chlorides and cations derived therefrom Chemical Communications (Cambridge, United Kingdom) (issue 3) (2003) 430-431
Space group: P c a b
Cell volume: 3551
Cell parameters: 14.969; 15.3; 15.506; 90; 90; 90;

COD ID: 7107186

Formula: - C60 H42 F36 Gd2 O18 S4 -
Comments: Fabrice Fabrice Pointillart; Svetlana Klementieva; Viacheslav Kuropatov; Yann Le Gal; Stephane Golhen; Olivier Cador; Vladimir Cherkasov; Lahcene Ouahab A single molecule magnet behaviour in a D3h symmetry Dy(III) complex involving a quinone-tetrathiafulvalene-quinone bridge Chem.Commun. 48 (2012) 714
Space group: P c a b
Cell volume: 17436
Cell parameters: 17.251; 24.093; 41.951; 90; 90; 90;

COD ID: 7122510
CIF file	Formula: - C12 H16 N3 O7 P - Comments: Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei Molecular design of high-temperature organic dielectric switches. Chemical communications (Cambridge, England) 54(93) (2018) 13111-13114 Space group: P c a b Cell volume: 3300.4 Cell parameters: 7.0408; 19.834; 23.634; 90; 90; 90;

COD ID: 7127779

Formula: - C20 H14 Br Cl Mn N3 O4 -
Comments: Stenger-Smith, Jenny; Chakraborty, Indranil; Ouattara, Ramatoulaye; Sameera, W. M. C.; Rue, Kelly; Mascharak, Pradip CO release from Mn(i)-based photoCORMs with single photons in the phototherapeutic region. Chemical communications (Cambridge, England) 57(9) (2021) 1101-1104
Space group: P c a b
Cell volume: 4090.7
Cell parameters: 7.6931; 17.523; 30.345; 90; 90; 90;

COD ID: 7130617
CIF file	Formula: - C7 H4 Br Cl N2 - Comments: Dhaka, Arun; Jeannin, olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc; Jeon, Ie-Rang N-chlorobenzimidazoles as efficient and structurally diverse amphoteric halogen bond donors in crystal engineering Chemical Communications (2022) Space group: P c a b Cell volume: 1598.2 Cell parameters: 9.3593; 12.3411; 13.8369; 90; 90; 90;

COD ID: 7150783

Formula: - C12 H6 Cl I N2 S -
Comments: Snégaroff, Katia; Lassagne, Frédéric; Bentabed-Ababsa, Ghenia; Nassar, Ekhlass; Ely, Sidaty Cheikh Sid; Hesse, Stéphanie; Perspicace, Enrico; Derdour, Aïcha; Mongin, Florence Direct metallation of thienopyrimidines using a mixed lithium‒cadmium base and antitumor activity of functionalized derivatives Organic & Biomolecular Chemistry 7(22) (2009) 4782
Space group: P c a b
Cell volume: 2404.37
Cell parameters: 5.8116; 16.782; 24.6525; 90; 90; 90;

COD ID: 7151679

Formula: - C19 H16 N2 O6 -
Comments: Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes. Organic & biomolecular chemistry 9(2) (2011) 363-366
Space group: P c a b
Cell volume: 3596.71
Cell parameters: 11.2975; 15.8036; 20.145; 90; 90; 90;

COD ID: 7153641

Formula: - C15 H25 B O4 Si -
Comments: Goggins, Sean; Rosevere, Eleanor; Bellini, Clément; Allen, Joseph C.; Marsh, Barrie J.; Mahon, Mary F.; Frost, Christopher G. Silyl-protected dioxaborinanes: application in the Suzuki cross-coupling reaction. Organic & biomolecular chemistry 12(1) (2014) 47-52
Space group: P c a b
Cell volume: 3490.64
Cell parameters: 12.5; 12.661; 22.056; 90; 90; 90;

COD ID: 7154567
CIF file	Formula: - C10 H10 N2 O2 S4 - Comments: Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D. Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors. Organic & biomolecular chemistry 13(31) (2015) 8479-8486 Space group: P c a b Cell volume: 1303.26 Cell parameters: 6.8237; 8.5474; 22.3448; 90; 90; 90;

COD ID: 7157358

Formula: - C21 H15 N O3 -
Comments: Dong, Shanliang; Huang, Jingjing; Sha, Hongkai; Qiu, Lihua; Hu, Wenhao; Xu, Xinfang Copper-catalyzed formal [1 + 2 + 2]-annulation of alkyne-tethered diazoacetates and pyridines: access to polycyclic indolizines. Organic & biomolecular chemistry 18(10) (2020) 1926-1932
Space group: P c a b
Cell volume: 3216.6
Cell parameters: 7.2265; 13.6852; 32.525; 90; 90; 90;

COD ID: 7201831
CIF file	Formula: - C14 H17 N5 O - Comments: Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds CrystEngComm 10(5) (2008) 490 Space group: P c a b Cell volume: 2944.6 Cell parameters: 9.386; 11.4412; 27.4207; 90; 90; 90;

COD ID: 7202577
CIF file	Formula: - C43 H49 O16 P2 - Comments: Daly, Susan M.; Grassi, Michele; Shenoy, Devanand K.; Ugozzoli, Franco; Dalcanale, Enrico Supramolecular surface plasmon resonance (SPR) sensors for organophosphorus vapor detection Journal of Materials Chemistry 17(18) (2007) 1809 Space group: P c a b Cell volume: 8741 Cell parameters: 15.888; 16.518; 33.306; 90; 90; 90;

COD ID: 7203861

Formula: - C3 H16 Ga3 N2 O15 P3 -
Comments: Chantal Brouca-Cabarrecq; Alain Mosset New potential open-framework materials in gallophosphate systems. Preparation and crystal structure of [NH3(CH2)3NH3]Ga3(PO4)3(OH)2·H2O and [NH2(CH2)3NH2]Ga3(PO4)3(H2O) J. Mater. Chem. 10(2) (2000) 445-450
Space group: P c a b
Cell volume: 2939.9
Cell parameters: 10.043; 15.989; 18.308; 90; 90; 90;

COD ID: 7204554

Formula: - C36 H44 N4 O10 -
Comments: Neumann, Bernhard; Hegmann, Torsten; Wagner, Christoph; Ashton, Peter R.; Wolf, Raik; Tschierske, Carsten Liquid crystalline macrocycles containing phenylpyrimidine unitsElectronic supplementary information (ESI) available: the procedures and analytical data for all compounds and a table with selected bond distances and bond angles of the crystal structure of compound C are available as supplementary data. See http://www.rsc.org/suppdata/jm/b2/b210271d/ Journal of Materials Chemistry 13(4) (2003) 778
Space group: P c a b
Cell volume: 3449
Cell parameters: 8.9755; 16.22; 23.691; 90; 90; 90;

COD ID: 7206402

Formula: - C7 H10 N2 O S -
Comments: Ferreira, Fabio Furlan; Trindade, Antonio Carlos; Antonio, Selma Gutierrez; de Oliveira Paiva-Santos, Carlos Crystal structure of propylthiouracil determined using high-resolution synchrotron X-ray powder diffraction CrystEngComm 13(17) (2011) 5474
Space group: P c a b
Cell volume: 3411.59
Cell parameters: 28.67338; 11.152871; 10.668212; 90; 90; 90;

COD ID: 7211403
CIF file	Formula: - C13 H5 F4 N5 S4 - Comments: Robinson, Sean W.; Haynes, Delia A.; Rawson, Jeremy M. Co-crystal formation with 1,2,3,5-dithiadiazolyl radicals CrystEngComm 15(47) (2013) 10205 Space group: P c a b Cell volume: 6077 Cell parameters: 10.8996; 19.1551; 29.1067; 90; 90; 90;

COD ID: 7212364
CIF file	Formula: - C13 H13 N O2 - Comments: Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa ‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB) Green Chemistry 12(6) (2010) 1090 Space group: P c a b Cell volume: 2174.16 Cell parameters: 9.1168; 13.8294; 17.2443; 90; 90; 90;

COD ID: 7216465

Formula: - C12 H8 N4 O2 S Zn -
Comments: De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism CrystEngComm 16(36) (2014) 8322
Space group: P c a b
Cell volume: 2762.8
Cell parameters: 14.545; 14.834; 12.805; 90; 90; 90;

COD ID: 7219525
CIF file	Formula: - C39 H41 Co N2 P3 - Comments: zhu, gengyu; wang, lin; Sun, Hongjian; Li, Xiaoyan Formation of PCP pincer cobalt complexes with cobaltacyclopropane moieties via double Csp3-H bond activation† RSC Adv. (2015) Space group: P c a b Cell volume: 6922.6 Cell parameters: 16.666; 19.745; 21.037; 90; 90; 90;

COD ID: 7220657
CIF file	Formula: - C16 H18 N4 - Comments: Baig, Fayaz; Kant, Rajni; Gupta, Vivek; Sarkar, Madhushree Effects of Non Covalent Interactions in Light Emitting Properties of bis-pyridyl-alkyl-di-imines RSC Adv. (2015) Space group: P c a b Cell volume: 5860 Cell parameters: 19.379; 24.584; 12.3; 90; 90; 90;

COD ID: 7222283

Formula: - C16 H20 Cl Cu N3 O7 -
Comments: AGGOUN, Djouhra; OURARI, Ali; DERAFA, Wassila A novel unsymmetrical tetradentate copper (II)-Schiff base complex: Synthesis, Crystal structure, Electrochemical, Morphological and Electrocatalytic behaviors towards electroreduction of alkyl and aryl halides RSC Adv. (2015)
Space group: P c a b
Cell volume: 3742.39
Cell parameters: 11.051; 15.58; 21.736; 90; 90; 90;

COD ID: 7225673

Formula: - C20 H20 Cl2 N2 O4 -
Comments: Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J. High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines CrystEngComm 18(30) (2016) 5697
Space group: P c a b
Cell volume: 1980.9
Cell parameters: 7.5644; 15.7136; 16.6651; 90; 90; 90;

COD ID: 7225674

COD ID: 7227253

Formula: - C20 H22 N4 O2 -
Comments: Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP 19(10) (2017) 6981-6988
Space group: P c a b
Cell volume: 1743
Cell parameters: 10.2451; 11.074; 15.3632; 90; 90; 90;

COD ID: 7228159

Formula: - C14 H8 N2 S3 -
Comments: Iagatti, Alessandro; Patrizi, Barbara; Basagni, Andrea; Marcelli, Agnese; Alessi, Andrea; Zanardi, Stefano; Fusco, Roberto; Salvalaggio, Mario; Bussotti, Laura; FOGGI, Paolo Photophysical properties and excited state dynamics of 4,7-dithien-2-yl-2,1,3-benzothiadiazole Phys. Chem. Chem. Phys. (2017)
Space group: P c a b
Cell volume: 2582.5
Cell parameters: 9.969; 12.775; 20.278; 90; 90; 90;

COD ID: 7228654
CIF file	Formula: - C13 H34 Br3 N O8 Pb - Comments: Kollek, Tom; Polarz, Sebastian Facet-Controlled Preparation of Hybrid Perovskite Microcrystals in the Gas Phase and the Remarkable Effect on Optoelectronic Properties CrystEngComm (2017) Space group: P c a b Cell volume: 4768.7 Cell parameters: 7.7705; 21.1114; 29.069; 90; 90; 90;

COD ID: 7231012
CIF file	Formula: - C9 H21 Br2 N3 O6 Sr - Comments: Clulow, Rebecca; Lightfoot, Philip New sarcosine‒metal halide complexes related to ferroelectric TSCC CrystEngComm 20(28) (2018) 4012 Space group: P c a b Cell volume: 3381.1 Cell parameters: 8.7723; 10.5359; 36.582; 90; 90; 90;

COD ID: 7231016
CIF file	Formula: - C9 H21 Br2 N3 O6 Sr - Comments: Clulow, Rebecca; Lightfoot, Philip New sarcosine‒metal halide complexes related to ferroelectric TSCC CrystEngComm 20(28) (2018) 4012 Space group: P c a b Cell volume: 3419.5 Cell parameters: 8.8611; 10.5404; 36.611; 90; 90; 90;

COD ID: 7232164
CIF file	Formula: - C24 H19 Cl N2 - Comments: Leduskrasts, Kaspars; Suna, Edgars Aggregation induced emission by pyridinium‒pyridinium interactions RSC Advances 9(1) (2019) 460 Space group: P c a b Cell volume: 3745.19 Cell parameters: 8.2062; 18.5089; 24.6576; 90; 90; 90;

COD ID: 7232431

Formula: - C52 H28 Br16 N4 O9 V -
Comments: Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R. Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media Green Chemistry 21(7) (2019) 1757
Space group: P c a b
Cell volume: 15331
Cell parameters: 20.733; 26.304; 28.112; 90; 90; 90;

COD ID: 7234656

Formula: - C56 H58 -
Comments: Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs Journal of Materials Chemistry C 4 (2016) 3041-3058
Space group: P c a b
Cell volume: 4236.8
Cell parameters: 12.3292; 14.816; 23.194; 90; 90; 90;

COD ID: 7238346

Formula: - C12 H19 Co3 O11 P3 -
Comments: Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties CrystEngComm 13(7) (2011) 2678
Space group: P c a b
Cell volume: 3449.58
Cell parameters: 10.078; 16.9209; 20.2287; 90; 90; 90;

COD ID: 7238446

Formula: - C22 H21 N O2 -
Comments: Kundu, Kshama; Nayak, Sandip K. (±)-Camphor-10-sulfonic acid catalyzed direct one-pot three-component Mannich type reaction of alkyl (hetero)aryl ketones under solvent-free conditions: application to the synthesis of aminochromans RSC Adv. 2(2) (2012) 480
Space group: P c a b
Cell volume: 3479.3
Cell parameters: 8.5808; 46.211; 8.7745; 90; 90; 90;

COD ID: 7238881
CIF file	Formula: - C88 H80 Fe4 O4 - Comments: Sharma, Rekha; Margani, Ramesh; Mobin, Shaikh M.; Misra, Rajneesh Ferrocenyl substituted calixarenes: synthesis, structure and properties RSC Advances 3(17) (2013) 5785 Space group: P c a b Cell volume: 14391.8 Cell parameters: 15.7383; 50.6519; 18.0535; 90; 90; 90;

COD ID: 7701917

Formula: - C20 H20 N2 O10 Ru3 -
Comments: Ellul, Charles E.; Lowe, John P.; Mahon, Mary F.; Raithby, Paul R.; Whittlesey, Michael K. [Ru3(6-NHC)(CO)10]: synthesis, characterisation and reactivity of rare 46-electron tri-ruthenium clusters. Dalton transactions (Cambridge, England : 2003) 47(13) (2018) 4518-4523
Space group: P c a b
Cell volume: 5227.81
Cell parameters: 13.569; 13.83; 27.858; 90; 90; 90;

COD ID: 7702363
CIF file	Formula: - C24 H13 O8 P Re2 S - Comments: Deeming, Antony J.; Shinhmar, Mukesh K.; Arce, Alejandro J.; De Sanctis, Ysaura Two different types of 2-thienyl bridge in dinuclear manganese and rhenium compounds Journal of the Chemical Society, Dalton Transactions (issue 7) (1999) 1153 Space group: P c a b Cell volume: 5086 Cell parameters: 14.781; 16.863; 20.407; 90; 90; 90;

COD ID: 7702439

Formula: - C8 H17 Cu N2 O10 P3 -
Comments: Cecconi, Franco; Ghilardi, Carlo A.; Lorenzo Luis, Pablo A.; Midollini, Stefano; Orlandini, Annabella; Dakternieks, Dainis; Duthie, Andrew; Dominguez, Sixto; Berti, Elisabetta; Vacca, Alberto Complexes of the tripodal nitrilotrimethylenetrisphosphonic (H6L) and P,P′,P ″-triphenylnitrilotrimethylenetrisphosphinic (H3L°) acids with the copper(II) ion. Synthesis and characterization of [Hpy][Cu(H3L)(H2O)] and [Cu(HL°)(py)]2·2Me2CO† Journal of the Chemical Society, Dalton Transactions (issue 2) (2001) 211
Space group: P c a b
Cell volume: 3173
Cell parameters: 10.982; 15.846; 18.236; 90; 90; 90;

COD ID: 7709286

Formula: - C31 H48 N4 O12 Pd S2 -
Comments: Serrano, Jose Luis; Gaware, Sujeet; Pérez de Haro, Jose Antonio; Pérez, Jose; Lozano, Pedro; Kori, Santosh; Dandela, Rambabu; Sanghvi, Yogesh S.; Kapdi, Anant R. Quadrol-Pd(II) complexes: phosphine-free precatalysts for the room-temperature Suzuki-Miyaura synthesis of nucleoside analogues in aqueous media Dalton Transactions (2022)
Space group: P c a b
Cell volume: 7507.6
Cell parameters: 14.7548; 14.9919; 33.94; 90; 90; 90;

COD ID: 7715663

Formula: - C25 H38 Mo O2 Si2 -
Comments: Muraoka, Takako; Ishita, Taichi; Kawachi, Kosuke; Nishio, Takuya; Ishihara, Hiroto; Ueno, Keiji Reactions of (mesityl)n(methyl)2-nsilylene complexes with pyridine-N-oxide (n = 1 and 0): formation of silanone complexes and a disiloxanyloxy complex. Dalton transactions (Cambridge, England : 2003) 53(16) (2024) 7105-7114
Space group: P c a b
Cell volume: 5258.6
Cell parameters: 15.221; 16.815; 20.546; 90; 90; 90;

COD ID: 7715664

Formula: - C25 H38 O2 Si2 W -
Comments: Muraoka, Takako; Ishita, Taichi; Kawachi, Kosuke; Nishio, Takuya; Ishihara, Hiroto; Ueno, Keiji Reactions of (mesityl)n(methyl)2-nsilylene complexes with pyridine-N-oxide (n = 1 and 0): formation of silanone complexes and a disiloxanyloxy complex. Dalton transactions (Cambridge, England : 2003) 53(16) (2024) 7105-7114
Space group: P c a b
Cell volume: 5231.5
Cell parameters: 15.2435; 16.7605; 20.4763; 90; 90; 90;

COD ID: 8100435
CIF file	Formula: - C4 H5 N3 - Comments: Van Meervelt, Luc; Uytterhoeven, Koen Crystal structure of 4-aminopyrimidine, C~4~H~5~N~3~ Zeitschrift für Kristallographie - New Crystal Structures 218(4) (2003) 481-482 Space group: P c a b Cell volume: 1896.3 Cell parameters: 10.983; 12.287; 14.052; 90; 90; 90;

COD ID: 8101828

Formula: - C10 H11 Cl N2 O2 S2 -
Comments: L. Dupont; S. Boverie; P. de Tullio; B. Pirotte Crystal structure of 7-chloro-3-isopropylsulfanyl-4H-1,2,4-benzothiadiazine 1,1-dioxide, C~10~H~11~ClN~2~O~2~S~2~ Zeitschrift für Kristallographie - New Crystal Structures 220(3) (2005) 467-468
Space group: P c a b
Cell volume: 2497.3
Cell parameters: 8.5908; 12.0056; 24.2133; 90; 90; 90;

COD ID: 8101834
CIF file	Formula: - C7 H12 N8 S2 - Comments: Dou, Y.-L.; Zhang, G.-F.; Lei, Y.-J.; Fan, X.-Z. Crystal structure of 1,3-bis(1-methyl-1H-tetrazol-5-ylthio)propane, C~3~H~6~(SCN~4~CH~3~)~2~ Zeitschrift für Kristallographie - New Crystal Structures 220(3) (2005) 485-486 Space group: P c a b Cell volume: 2452.1 Cell parameters: 9.1455; 14.113; 18.998; 90; 90; 90;

COD ID: 9000567
CIF file	Formula: - Cu5 H2 O14 Si4 - Comments: Evans, H. T.; Mrose, M. E. The crystal chemistry of the hydrous copper silicates, shattuckite and plancheite Note: sample is from Ajo, Arizona American Mineralogist 62 (1977) 491-502 Space group: P c a b Cell volume: 1055.18 Cell parameters: 9.885; 19.832; 5.3825; 90; 90; 90;

COD ID: 9001109
CIF file	Formula: - As6 Ca2.121 Fe H4 Mn5 Na0.73 O26 - Comments: Bianchi, R.; Pilati, T.; Mannucci, G. Crystal structure of grischunite American Mineralogist 72 (1987) 1225-1229 Space group: P c a b Cell volume: 2088.65 Cell parameters: 12.855; 13.487; 12.047; 90; 90; 90;

COD ID: 9002249

Formula: - Al0.09 Ca1.03 Fe0.94 H2 Mg0.44 Mn1.89 Na0.1 O13 P3 Zn0.02 -
Comments: Galliski, M. A.; Cooper, M. A.; Hawthorne, F. C.; Cerny, P. Bederite, a new pegmatite phosphate mineral from Nevados de Palermo, Argentina: Description and crystal structure American Mineralogist 84 (1999) 1674-1679
Space group: P c a b
Cell volume: 1888.09
Cell parameters: 12.559; 12.834; 11.714; 90; 90; 90;

COD ID: 9004455
CIF file	Formula: - Al0.18 Ca2 Fe4.24 H4 Mg0.96 Mn0.6 Na O26 P6 - Comments: Cooper, M. A.; Hawthorne, F. C. The crystal structure of wicksite The Canadian Mineralogist 35 (1997) 777-784 Space group: P c a b Cell volume: 1882.54 Cell parameters: 12.524; 12.907; 11.646; 90; 90; 90;

COD ID: 9007520
CIF file	Formula: - Mn2 O3 - Comments: Geller, S. Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Acta Crystallographica, Section B 27 (1971) 821-828 Space group: P c a b Cell volume: 834.45 Cell parameters: 9.4157; 9.4233; 9.4047; 90; 90; 90;

COD ID: 9008275
CIF file	Formula: - Ge3 O7 Pb - Comments: Otto, H. H. Die kristallstruktur von PbGe3O7 mit Ge4+ in trigonal-dipyramidaler neben tetraedrischer koordination Zeitschrift fur Kristallographie 149 (1979) 197-205 Space group: P c a b Cell volume: 1193.04 Cell parameters: 5.27; 14.097; 16.059; 90; 90; 90;

COD ID: 9009149
CIF file	Formula: - Cl H O Zn - Comments: Wyckoff R W G Second edition. Interscience Publishers, New York, New York Crystal Structures 1 (1963) 282-287 Space group: P c a b Cell volume: 436.871 Cell parameters: 5.86; 6.58; 11.33; 90; 90; 90;

COD ID: 9009150
CIF file	Formula: - Br Co H O - Comments: Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures 1 (1963) 282-287 Space group: P c a b Cell volume: 469.064 Cell parameters: 5.903; 6.7; 11.86; 90; 90; 90;

COD ID: 9009309
CIF file	Formula: - Ca0.5 H2 Mn0.5 Na4 O16 Si6 - Comments: Johnsen, O.; Leonardsen, E. S.; Falth, L.; Annehed, H. Crystal structure of kvanefjeldite: The introduction of [Si3O7OH] layers with eight-membered rings Neues Jahrbuch fur Mineralogie, Monatshefte 1983 (1983) 505-512 Space group: P c a b Cell volume: 1468.86 Cell parameters: 10.213; 15.878; 9.058; 90; 90; 90;

COD ID: 9009709
CIF file	Formula: - Al F H10 O9 S - Comments: Bachet, B.; Cesbron, F.; Chevalier, R. Structure cristalline de la khademite Al(SO4)F5H2O Bulletin de Mineralogie 104 (1981) 19-22 Space group: P c a b Cell volume: 1588.01 Cell parameters*: 11.181; 13.048; 10.885; 90; 90; 90;

COD ID: 9011544
CIF file	Formula: - Br H O Zn - Comments: Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures 1 (1963) 282-287 Space group: P c a b Cell volume: 469.064 Cell parameters: 5.903; 6.7; 11.86; 90; 90; 90;

COD ID: 9016581
CIF file	Formula: - As Fe H4 O6 - Comments: Hawthorne, F. C. The hydrogen positions in scorodite Acta Crystallographica, Section B 32 (1976) 2891-2892 Space group: P c a b Cell volume: 918.177 Cell parameters: 8.937; 10.278; 9.996; 90; 90; 90;

COD ID: 9017711