Search results

Formula: - C6 H18 Cl I N P Si -
Comments: Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K. Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~ Zeitschrift fuer Anorganische und Allgemeine Chemie 621(9) (1995) 1489-1495
Space group: I b a 2
Cell volume: 2782.9
Cell parameters: 15.107; 18.628; 9.889; 90; 90; 90;

COD ID: 1502697
CIF file	Formula: - C24 H18 N6 S - Comments: Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C 114(35) (2010) 15109 Space group: I b a 2 Cell volume: 4099 Cell parameters: 20.712; 24.812; 7.977; 90; 90; 90;

COD ID: 1504391

Formula: - C36 H30 -
Comments: Xie, Zengqi; Xie, Weijie; Li, Feng; Liu, Linlin; Wang, Huan; Ma, Yuguang Controlling Supramolecular Microstructure to Realize Highly Efficient Nondoped Deep Blue Organic Light-Emitting Devices: The Role of Diphenyl Substituents in Distyrylbenzene Derivatives Journal of Physical Chemistry C 112(24) (2008) 9066
Space group: I b a 2
Cell volume: 2652.4
Cell parameters: 10.608; 32.541; 7.6837; 90; 90; 90;

COD ID: 1511541
CIF file	Formula: - B5 Cu O10 Tb - Comments: Schaefer, J.; Bluhm, K. Cu Tb (B5 O10): Das erste "Metaborat" mit einem 1-infinite (B5 O10)5- - Anion Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 567-570 Space group: I b a 2 Cell volume: 673.669 Cell parameters: 6.294; 8.406; 12.733; 90; 90; 90;

COD ID: 1515126

Formula: - C19 H21 N3 O4 -
Comments: Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science 3(3) (2012) 766
Space group: I b a 2
Cell volume: 3726.6
Cell parameters: 17.443; 21.703; 9.844; 90; 90; 90;

COD ID: 1515946
CIF file	Formula: - C46 H27 N O4 - Comments: Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule Faraday Discussions 143 (2009) 205 Space group: I b a 2 Cell volume: 3108.17 Cell parameters: 12.7723; 16.8766; 14.4195; 90; 90; 90;

COD ID: 1516064
CIF file	Formula: - C15 H19 N O - Comments: Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros An efficient synthesis of bridged heterocycles from an Ir(I) bis-amination/ring-closing metathesis sequence. Organic letters 14(18) (2012) 4802-4805 Space group: I b a 2 Cell volume: 2625.23 Cell parameters: 10.9646; 34.3413; 6.972; 90; 90; 90;

COD ID: 1519345
CIF file	Formula: - C14 H13 N O - Comments: Donnio, B; Nguuyen, H. L.; Huck, D. M.; Hursthouse, Michael B.; Coles, Simon J.; Bruce, D. W. 4-Methoxy-2aE-stilbazole Crystal Structure Report Archive (2001) 134 Space group: I b a 2 Cell volume: 2236.4 Cell parameters: 9.2463; 33.461; 7.2285; 90; 90; 90;

COD ID: 1519527
CIF file	Formula: - C31 H60 F12 Fe2 N18 O16 S4 - Comments: Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B. C31H60F12Fe2N18O16S4 Crystal Structure Report Archive (2003) 987 Space group: I b a 2 Cell volume: 11417.8 Cell parameters: 24.119; 21.7004; 21.815; 90; 90; 90;

COD ID: 1520312
CIF file	Formula: - C10 H16 B F2 N O4 - Comments: Roßbach, Jan; Harms, Klaus; Koert, Ulrich α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements. Organic letters 17(12) (2015) 3122-3125 Space group: I b a 2 Cell volume: 5031.3 Cell parameters: 12.1721; 49.556; 8.341; 90; 90; 90;

COD ID: 1520553
CIF file	Formula: - C35 H19 F4 N6 O2 P - Comments: Saltsman, Irena; Goldberg, Israel; Gross, Zeev Porphyrins and Corroles with 2,6-Pyrimidyl Substituents. Organic letters 17(13) (2015) 3214-3217 Space group: I b a 2 Cell volume: 6941 Cell parameters: 21.689; 29.869; 10.7143; 90; 90; 90;

COD ID: 1525827
CIF file	Formula: - O8 V3 Zn - Comments: Lloyd, D.J.; Galy, J. Alpha zinc vanadium(IV) divanadate(V), alpha-Zn V3 O8 Crystal Structure Communications 2 (1973) 209-211 Space group: I b a 2 Cell volume: 1194.23 Cell parameters: 14.298; 9.908; 8.43; 90; 90; 90;

COD ID: 1528891
CIF file	Formula: - C4 H6 O4 Sn - Comments: Stafeeva, V.S.; Mitiaev, A.S.; Abakumov, A.M.; Antipov, E.V.; Makarevich, A.M.; Tsirlin, A.A. Crystal structure and chemical bonding in tin(II) acetate Polyhedron 26 (2007) 5365-5369 Space group: I b a 2 Cell volume: 1345.29 Cell parameters: 13.9859; 21.187; 4.54; 90; 90; 90;

COD ID: 1531013
CIF file	Formula: - Fe6 O13 Sr4 - Comments: Yoshiasa, A.; Ueno, K.; Horiuchi, H.; Kanamaru, F. Structure of Sr4 Fe6 O13, a new perovskite-derivative in the Sr-Fe-O system Materials Research Bulletin 21 (1986) 175-181 Space group: I b a 2 Cell volume: 1170.75 Cell parameters: 11.103; 18.924; 5.572; 90; 90; 90;

COD ID: 1543406

Formula: - C17 H17 N -
Comments: Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation. Organic letters 18(12) (2016) 3002-3005
Space group: I b a 2
Cell volume: 2563.5
Cell parameters: 15.4841; 20.8131; 7.9546; 90; 90; 90;

COD ID: 1543636

Formula: - C54 H30 F6 -
Comments: Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R. Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s Chem. Sci. 7(10) (2016) 6357
Space group: I b a 2
Cell volume: 8313
Cell parameters: 21.8211; 19.2793; 19.7602; 90; 90; 90;

COD ID: 1544500
CIF file	Formula: - Ga2 Mn Sb4 - Comments: Sakakibara, W.; Hayashi, Y.; Takizawa, H. MnGa2Sb2, a new ferromagnetic compound synthesized under high pressure Journal of the Ceramic Society of Japan 117 (2009) 72-75 Space group: I b a 2 Cell volume: 412.1 Cell parameters: 11.807; 5.958; 5.858; 90; 90; 90;

COD ID: 1544664
CIF file	Formula: - Ba4 In6 O13 - Comments: Yoshiasa, A.; Takeno, S.; Iishi, K. Ba4In6O13: a compound with distorted square pyramidal InO5 coordination polyhedra Mineralogical Journal 16 (1992) 40-48 Space group: I b a 2 Cell volume: 1427 Cell parameters: 11.46; 20.95; 5.944; 90; 90; 90;

COD ID: 1547229
CIF file	Formula: - C23 H18 F N O - Comments: Hu, Yue; Huang, Hanmin Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes. Organic letters 19(19) (2017) 5070-5073 Space group: I b a 2 Cell volume: 3537.9 Cell parameters: 17.5173; 11.7477; 17.1922; 90; 90; 90;

COD ID: 1547645

Formula: - C6 H7 B O2 -
Comments: Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci. (2017)
Space group: I b a 2
Cell volume: 2690.5
Cell parameters: 15.322; 17.902; 9.8089; 90; 90; 90;

COD ID: 1548450
CIF file	Formula: - C18 H19 N O4 - Comments: Chiara Sulpizio; Alexander Roller; Gerald Giester; Annette Rompel Synthesis, structure, and antioxidant activity of methoxy- and hydroxyl-substituted 2'-aminochalcones Monatshefte Fur Chemie 147 (2016) 1747-1757 Space group: I b a 2 Cell volume: 3166.9 Cell parameters: 13.146; 29.598; 8.1392; 90; 90; 90;

COD ID: 1550776

Formula: - C25 H18 Cl N O3 -
Comments: Ding, Chunyong; Chen, Hongjin; Liang, Bing; Jiao, Mingkun; Liang, Guang; Zhang, Ao Biomimetic Synthesis of Natural Product Salviadione and Its Hybrids: Discovery of Tissue-Specific Anti-Inflammatory Agents for Acute Lung Injury Chemical Science (2019)
Space group: I b a 2
Cell volume: 4289.4
Cell parameters: 7.2897; 23.0144; 25.5674; 90; 90; 90;

COD ID: 1550811

Formula: - C19 H12 N2 -
Comments: Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering Materials Horizons 6(6) (2019) 1259
Space group: I b a 2
Cell volume: 2923.1
Cell parameters: 14.753; 24.611; 8.0508; 90; 90; 90;

COD ID: 1552318

Formula: - C6 H10 Cd O6 -
Comments: Chen, Ao-Wei; Shi, Rong; Wang, Ce; Shi, Bi-Bo; Yin, Zheng Poly[di(μ~2~-2-hydroxypropanoato)cadmium] IUCrData 4(9) (2019) x191255
Space group: I b a 2
Cell volume: 1850.8
Cell parameters: 10.238; 19.104; 9.463; 90; 90; 90;

COD ID: 1554483
CIF file	Formula: - C16 H9 Cl F3 N O3 S - Comments: Yi, Ruxia; Li, Xincheng; Wan, Boshun Ring-opening and cyclization of aziridines with aryl azides: metal-free synthesis of 6-(triflyloxy)quinolines Organic Chemistry Frontiers 5(23) (2018) 3488 Space group: I b a 2 Cell volume: 3292.9 Cell parameters: 15.569; 29.973; 7.0564; 90; 90; 90;

COD ID: 1559638

Formula: - C26 H25 N3 O2 -
Comments: Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines vs. triazocines via α-imino carbenes addition to imidazolidines. Chemical science 12(4) (2020) 1479-1485
Space group: I b a 2
Cell volume: 4301.43
Cell parameters: 18.50216; 21.27952; 10.92519; 90; 90; 90;

COD ID: 1562679

Formula: - C9 H6 Cl2 I N3 S -
Comments: Hess, Andreas; Prohaska, Jan Philip; Doerrich, Sabrina Bettina; Trauner, Florian; Lutter, Ferdinand Hermann; Lemaire, Sébastien; Wagschal, Simon; Karaghiosoff, Konstantin; Knochel, Paul Directed Regioselective ortho,ortho’-Magnesiations of Aromatics and Heterocycles using sBu2Mg in Toluene Chemical Science (2021)
Space group: I b a 2
Cell volume: 2539.86
Cell parameters: 29.5021; 9.0794; 9.482; 90; 90; 90;

COD ID: 1563088
CIF file	Formula: - C12 H16 Eu2 O20 - Comments: Jiang, Zhan-Guo; Lv, Yao-Kang; Cheng, Jian-Wen; Feng, Yun-Long Two types of rare earth‒organic frameworks constructed by racemic tartaric acid Journal of Solid State Chemistry 185 (2012) 253-263 Space group: I b a 2 Cell volume: 1875.77 Cell parameters: 12.5257; 14.2085; 10.5397; 90; 90; 90;

COD ID: 1563089
CIF file	Formula: - C12 H16 Dy2 O20 - Comments: Jiang, Zhan-Guo; Lv, Yao-Kang; Cheng, Jian-Wen; Feng, Yun-Long Two types of rare earth‒organic frameworks constructed by racemic tartaric acid Journal of Solid State Chemistry 185 (2012) 253-263 Space group: I b a 2 Cell volume: 1853.07 Cell parameters: 12.4764; 14.1541; 10.4935; 90; 90; 90;

COD ID: 1563659

Formula: - C200 H120 N24 O92 Zn16 -
Comments: Xu, Yan-Hong; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min; Liao, Yi Auxiliary aromatic-acid effect on the structures of a series of ZnII coordination polymers: Syntheses, crystal structures, and photoluminescence properties Journal of Solid State Chemistry 183(4) (2010) 849-857
Space group: I b a 2
Cell volume: 5564.4
Cell parameters: 30.682; 10.929; 16.594; 90; 90; 90;

COD ID: 1565812

Formula: - C32 H37 Mo12 N12 O43 P Zn4 -
Comments: Han, Ye-Min; Cheng, Wei-Wei; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Xu, Yan Two isolated Zn-ε-Keggin decorated by pyridine-imidazole with excellent electrocatalytic and third-order NLO properties Inorganica Chimica Acta 498 (2019) 119169
Space group: I b a 2
Cell volume: 15257
Cell parameters: 27.179; 29.115; 19.281; 90; 90; 90;

COD ID: 1565818
CIF file	Formula: - C16 H24 B F4 N - Comments: Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation Chemical Science 13(4) (2022) 1003-1008 Space group: I b a 2 Cell volume: 9823.3 Cell parameters: 26.2135; 48.489; 7.7284; 90; 90; 90;

COD ID: 1567279

Formula: - C42 H62 O12 -
Comments: Ide, Yuki; Manabe, Yumehiro; Inaba, Yuya; Kinoshita, Yusuke; Pirillo, Jenny; Hijikata, Yuh; Yoneda, Tomoki; Shivakumar, Kilingaru I.; Tanaka, Saki; Asakawa, Hitoshi; Inokuma, Yasuhide Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketones Chemical Science (2022)
Space group: I b a 2
Cell volume: 4150.4
Cell parameters: 48.93; 8.2077; 10.3345; 90; 90; 90;

COD ID: 2000299
CIF file Original IUCr paper	Formula: - C10 H12 Ni S8 - Comments: Geiser, U.; Tytko, S. F.; Allen, T. J.; Wang, H. H.; Kini, A. M.; Williams, J. M. Structure of bis(2,3-dimercapto-6,7-dihydro-5<i>H</i>-1,4-dithiepin)nickel(IV) at 295 and 109 K Acta Crystallographica Section C 47(6) (1991) 1164-1167 Space group: I b a 2 Cell volume: 1599.9 Cell parameters: 13.058; 16.153; 7.585; 90; 90; 90;

COD ID: 2000300
CIF file Original IUCr paper	Formula: - C10 H12 Ni S8 - Comments: Geiser, U.; Tytko, S. F.; Allen, T. J.; Wang, H. H.; Kini, A. M.; Williams, J. M. Structure of bis(2,3-dimercapto-6,7-dihydro-5<i>H</i>-1,4-dithiepin)nickel(IV) at 295 and 109 K Acta Crystallographica Section C 47(6) (1991) 1164-1167 Space group: I b a 2 Cell volume: 1564.4 Cell parameters: 13.027; 16.042; 7.486; 90; 90; 90;

COD ID: 2001651
CIF file Original IUCr paper	Formula: - C20 H14 O2 - Comments: Mori, K.; Masuda, Y.; Kashino, S. (+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl Acta Crystallographica Section C 49(6) (1993) 1224-1227 Space group: I b a 2 Cell volume: 2926.6 Cell parameters: 15.696; 21.617; 8.6253; 90; 90; 90;

COD ID: 2003623
CIF file Original IUCr paper	Formula: - C23 H20 O2 - Comments: Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C. A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid Acta Crystallographica Section C 51(7) (1995) 1447-1452 Space group: I b a 2 Cell volume: 3378.8 Cell parameters: 25.5347; 17.3004; 7.6486; 90; 90; 90;

COD ID: 2008252
CIF file Original IUCr paper	Formula: - C8 H20 N6 Ni S2 - Comments: Moore, Stephanie L.; Philip J. Squattrito Bis(1,3-propanediamine-<i>N</i>,<i>N</i>')bis(thiocyanato-<i>N</i>)nickel(II) Acta Crystallographica Section C 55(3) (1999) 332-334 Space group: I b a 2 Cell volume: 1477.9 Cell parameters: 7.579; 17.55; 11.111; 90; 90; 90;

COD ID: 2008837

Formula: - C17 H18 O S2 -
Comments: Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine dl-2,4-Bis(phenylthio)pentan-3-one and dl-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K Acta Crystallographica Section C 55(8) (1999) IUC9900088
Space group: I b a 2
Cell volume: 1584.3
Cell parameters: 19.1266; 8.2451; 10.0462; 90; 90; 90;

COD ID: 2013758

Formula: - C34 H26 Cd F4 N8 -
Comments: Hörner, Manfredo; Carratu, Vanessa S.; Bordinhao, Jairo; Silva, Angela; Niquet, Elke cis-Bis[1,3-bis(2-fluorophenyl)triazenido-κ^2^N^1^,N^3^]bis(pyridine-κN)cadmium(II) Acta Crystallographica Section C 60(3) (2004) m140-m142
Space group: I b a 2
Cell volume: 3167.7
Cell parameters: 9.835; 19.229; 16.75; 90; 90; 90;

COD ID: 2019105

Formula: - C16 H20 N4 O4 -
Comments: Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K. N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts Acta Crystallographica Section C 69(8) (2013) 904-909
Space group: I b a 2
Cell volume: 3234.68
Cell parameters: 10.0424; 42.9871; 7.493; 90; 90; 90;

COD ID: 2019593

Formula: - C6 H10 Br N3 O3 -
Comments: Geiger, David K.; Parsons, Dylan E. Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts Acta Crystallographica Section C 70(7) (2014) 681-688
Space group: I b a 2
Cell volume: 1869.5
Cell parameters: 14.352; 20.086; 6.4851; 90; 90; 90;

COD ID: 2022238

Formula: - C14 H12 F3 N3 O5 S -
Comments: Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation Acta Crystallographica Section C 76(9) (2020)
Space group: I b a 2
Cell volume: 3132.2
Cell parameters: 17.6719; 25.7296; 6.8887; 90; 90; 90;

COD ID: 2022912

Formula: - C10 H24 Au Cl5 N2 -
Comments: Döring, Cindy; Jones, Peter G. Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations. Acta crystallographica. Section E, Crystallographic communications 79(Pt 11) (2023) 1017-1027
Space group: I b a 2
Cell volume: 3634.6
Cell parameters: 19.4014; 9.7612; 19.1922; 90; 90; 90;

COD ID: 2101415
CIF file Original IUCr paper	Formula: - C14 H11 N O2 - Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B 51(6) (1995) 1004-1015 Space group: I b a 2 Cell volume: 1203.4 Cell parameters: 8.469; 15.783; 9.003; 90; 90; 90;

COD ID: 2102198

Formula: - C35 H66 O6 -
Comments: Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk Structure of C~n~C~n~+2C~n~-type (n = even) β'-triacylglycerols Acta Crystallographica Section B 56(6) (2000) 1103-1111
Space group: I b a 2
Cell volume: 7442.8
Cell parameters: 57.368; 22.783; 5.6945; 90; 90; 90;

COD ID: 2102199

Formula: - C47 H90 O6 -
Comments: Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk Structure of C~n~C~n~+2C~n~-type (n = even) β'-triacylglycerols Acta Crystallographica Section B 56(6) (2000) 1103-1111
Space group: I b a 2
Cell volume: 9784
Cell parameters: 76.21; 22.63; 5.673; 90; 90; 90;

COD ID: 2202643

Formula: - C13 H11 N3 S -
Comments: Chen,Zhen-Feng; Tang,Yun-Zhi; Shi,Shao-Ming; Wang, Xian-Wen; Liang, Hong; Yu, Kai-Bei N,N-(2-benzothiazole)(2-pyridylmethyl)amine Acta Crystallographica Section E 59(10) (2003) o1461-o1463
Space group: I b a 2
Cell volume: 2281.1
Cell parameters: 20.144; 9.774; 11.586; 90; 90; 90;

COD ID: 2202985

Formula: - C24 H16 Co N11 O3 -
Comments: Zhao, Qihua; Wang, Xiaofeng; Fang, Ruibin; Tiekink, Edward R. T. Diazidobis(1,10-phenathroline)cobalt(III) nitrate Acta Crystallographica Section E 59(8) (2003) m690-m691
Space group: I b a 2
Cell volume: 2227.89
Cell parameters: 15.4858; 9.7359; 14.7769; 90; 90; 90;

COD ID: 2206547

Formula: - C30 H31.88 N4.88 O4.5 Zn -
Comments: Tong, Yi-Ping Bis[2-(benzimidazol-2-yl)phenolato-κ^2^N,O]zinc(II)‒bis[5-amino-2-(benzimidazol-2-yl)phenolato-κ^2^N,O]zinc(II)‒ethanol‒water (0.56/0.44/2/0.5) Acta Crystallographica Section E 61(8) (2005) m1595-m1597
Space group: I b a 2
Cell volume: 5906.6
Cell parameters: 32.131; 9.7172; 18.918; 90; 90; 90;

COD ID: 2206627
CIF file Original IUCr paper	Formula: - C30 H30.67 Br0.33 N5 O4.5 Zn - Comments: Tong, Yi-Ping Bis[2-(benzimidazol-2-yl)phenolato]zinc(II)‒[2-(benzimidazol-2-yl)phenolato][2-(benzimidazol-2-yl)-4-bromophenolato]zinc(II)‒ethanol‒water (0.67/0.33/2/0.5) Acta Crystallographica Section E 61(9) (2005) m1771-m1773 Space group: I b a 2 Cell volume: 5818.3 Cell parameters: 32.459; 9.408; 19.053; 90; 90; 90;

COD ID: 2207412

Formula: - C24 H16 Cl Co N10 O4 -
Comments: Xue-Yan Song; Xu-Da Wang; Yun-He Xu; Li-Cun Li Diazidobis(1,10-phenanthroline)cobalt(III) perchlorate Acta Crystallographica Section E 61(12) (2005) m2649-m2650
Space group: I b a 2
Cell volume: 2371
Cell parameters: 15.097; 10.989; 14.291; 90; 90; 90;

COD ID: 2213908

Formula: - C20 H20 Cu N4 O2 S4 -
Comments: Mei, Guang-Quan; Huang, Ke-Long {Dimethyl [2,2'-(ethane-1,2-diyldioxy)bis(benzylidenehydrazono)]bis(dithioformato)-κ^4^S,N,N',S'}copper(II) Acta Crystallographica Section E 63(6) (2007) m1653-m1653
Space group: I b a 2
Cell volume: 2251.8
Cell parameters: 11.634; 12.983; 14.908; 90; 90; 90;

COD ID: 2215287

Formula: - In Sb9 Sr11 -
Comments: Hullmann, Jonathan; Xia, Shengqing; Bobev, Svilen Sr~11~InSb~9~ grown from molten In Acta Crystallographica Section E 63(9) (2007) i178-i178
Space group: I b a 2
Cell volume: 2839.6
Cell parameters: 12.3885; 13.1003; 17.4966; 90; 90; 90;

COD ID: 2218906

Formula: - C14 H19 N O -
Comments: Frey, Wolfgang; Schetter, Stefanie; Rominger, Frank; Hashmi, A. Stephen K. A new polymorph of N-(prop-2-ynyl)tricyclo[3.3.1.1^3,7^]decane-1-carboxamide Acta Crystallographica Section E 64(8) (2008) o1495
Space group: I b a 2
Cell volume: 2400.6
Cell parameters: 9.862; 28.095; 8.664; 90; 90; 90;

COD ID: 2220670

Formula: - C36 H45 Er N4 O8 -
Comments: Xia, Hai-Tao; Rong, De-Fu; Zhang, Ying-Ying; Yang, Shu-Ping; Wang, Da-Qi Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5{-})-κ^4^O,N,N',O'}erbium(III) Acta Crystallographica Section E 65(2) (2009) m198-m199
Space group: I b a 2
Cell volume: 3471.8
Cell parameters: 11.1542; 21.958; 14.1751; 90; 90; 90;

COD ID: 2220671

Formula: - C36 H45 N4 O8 Pr -
Comments: Xia, Hai-Tao; Liu, Yu-Fen; Yang, Shu-Ping; Wang, Da-Qi Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5{-})-κ^4^O,N,N',O'}praeseodymium(III) Acta Crystallographica Section E 65(2) (2009) m200
Space group: I b a 2
Cell volume: 3475.9
Cell parameters: 21.977; 11.1616; 14.1699; 90; 90; 90;

COD ID: 2220672

Formula: - C36 H45 N4 O8 Tb -
Comments: Xia, Hai-Tao; Liu, Yu-Fen; Yang, Shu-Ping; Wang, Da-Qi Bis{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(iminomethylene)]diphenolato(1.5{-})-κ^4^O,N,N',O'}terbium(III) Acta Crystallographica Section E 65(2) (2009) m201
Space group: I b a 2
Cell volume: 3436
Cell parameters: 21.885; 11.1407; 14.0928; 90; 90; 90;

COD ID: 2220678

Formula: - C8 H12 Cu O7 -
Comments: Wang, Yun-Yun; Hu, Rui-Ding; Wang, Yan-Jun catena-Poly[[diaquacopper(II)]-μ-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato] Acta Crystallographica Section E 65(2) (2009) m169
Space group: I b a 2
Cell volume: 1988.15
Cell parameters: 10.5512; 19.3389; 9.7435; 90; 90; 90;

COD ID: 2220966

Formula: - C11 H17 Cl N2 O -
Comments: Zia-ur-Rehman; Tahir, M. Nawaz; Danish, Muhammad; Muhammad, Niaz; Ali, Saqib 4-(4-Methoxyphenyl)piperazin-1-ium chloride Acta Crystallographica Section E 65(3) (2009) o503
Space group: I b a 2
Cell volume: 2461.9
Cell parameters: 10.289; 31.5218; 7.5909; 90; 90; 90;

COD ID: 2221445

Formula: - C16 H14 Cl N O2 -
Comments: Chen, Ming-Jun; Yang, Hao; Dong, Wen-Liang; Zuo, Hua; Zhou, Jia-Zhou 7-Chloro-4-phenethyl-2H-1,4-benzoxazin-3(4H)-one Acta Crystallographica Section E 65(4) (2009) o712
Space group: I b a 2
Cell volume: 2834.2
Cell parameters: 13.528; 29.616; 7.074; 90; 90; 90;

COD ID: 2222148

Formula: - C30 H38 O8 -
Comments: Hu, Tuoping 2,2',4,4',6,6'-Hexamethylbiphenyl-3,3',5,5'-tetrayltetramethylene tetraacetate Acta Crystallographica Section E 65(6) (2009) o1355
Space group: I b a 2
Cell volume: 2864.3
Cell parameters: 15.336; 12.658; 14.755; 90; 90; 90;

COD ID: 2222725

Formula: - C7 H10 N2 O2 S -
Comments: Ma, Xiang-Jun; Fang, Zheng; Ren, Li-Li; Wei, Ping 5-Amino-2-methylbenzenesulfonamide Acta Crystallographica Section E 65(8) (2009) o1815
Space group: I b a 2
Cell volume: 1724.2
Cell parameters: 10.679; 22.431; 7.198; 90; 90; 90;

COD ID: 2226328

Formula: - C8 H12 Mn O7 -
Comments: Wang, Na; Feng, Jie; Wang, Dong-Hang; Lin, Qiu-Yue catena-Poly[[diaquamanganese(II)]-μ-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato] Acta Crystallographica Section E 66(6) (2010) m717
Space group: I b a 2
Cell volume: 2062.04
Cell parameters: 10.3513; 18.9903; 10.4899; 90; 90; 90;

COD ID: 2228800

Formula: - C28 H22 Cd Cl6 N4 O5 -
Comments: Kim, Jin Hoon; Kim, Cheal; Kim, Youngmee Poly[[bis[μ-1,2-bis(4-pyridyl)ethene]bis(trichloroacetato)cadmium(II)] monohydrate] Acta Crystallographica Section E 67(1) (2011) m3-m4
Space group: I b a 2
Cell volume: 3290.8
Cell parameters: 19.618; 9.576; 17.517; 90; 90; 90;

COD ID: 2230363

Formula: - C32 H30 Cl Cu N9 -
Comments: Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian Chloridotetrapyridinecopper(II) dicyanamidate pyridine disolvate Acta Crystallographica Section E 67(6) (2011) m695
Space group: I b a 2
Cell volume: 3099.1
Cell parameters: 15.2859; 17.6577; 11.4818; 90; 90; 90;

COD ID: 2233664

Formula: - C8 H12 Co O7 -
Comments: Zhang, Fan; Lin, Qiu-Yue; Wang, Yong-Chang; He, Ji-Du catena-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^4^O^2^,O^3^,O^7^:O^2'^] Acta Crystallographica Section E 68(2) (2012) m146
Space group: I b a 2
Cell volume: 2069.3
Cell parameters: 10.3794; 18.983; 10.5021; 90; 90; 90;

COD ID: 2238454

Formula: - C34 H38 Cl2 Cu N4 O7 -
Comments: Bozkurt, Nihat; Tunç, Tuncay; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer Aquabis(3-chlorobenzoato-κO)bis(N,N-diethylnicotinamide-κN)copper(II) Acta Crystallographica Section E 69(8) (2013) m458-m459
Space group: I b a 2
Cell volume: 3537.9
Cell parameters: 15.9185; 19.2366; 11.5535; 90; 90; 90;

COD ID: 2238905
CIF file Original IUCr paper	Formula: - C23 H30 N2 O4 Sn - Comments: Qiao, Yanling; Wang, Fei Di-<i>n</i>-butyl[4-hydroxy-<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>,<i>O</i>]tin(IV) Acta Crystallographica Section E 69(12) (2013) m675 Space group: I b a 2 Cell volume: 4935.3 Cell parameters: 10.8504; 22.2977; 20.3988; 90; 90; 90;

COD ID: 2239285
CIF file HKL data	Formula: - C19 H23 N - Comments: Sathya, S.; Prathebha, K.; Usha, G.; Abdul Basheer, S.; Ponnuswamy, S. 3,5-Dimethyl-2,6-diphenylpiperidine Acta Crystallographica Section E 70(4) (2014) o404 Space group: I b a 2 Cell volume: 3187.5 Cell parameters: 10.1689; 43.141; 7.2658; 90; 90; 90;

COD ID: 2242892

Formula: - C10 H13 N3 O S -
Comments: Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook (E)-2-(2-Hydroxy-3-methylbenzylidene)-N-methylhydrazine-1-carbothioamide: supramolecular assemblies in two-dimensions mediated by N—H···S and C—H···π interactions Acta Crystallographica Section E 75(5) (2019) 571-575
Space group: I b a 2
Cell volume: 2285.4
Cell parameters: 14.6474; 17.522; 8.9048; 90; 90; 90;

COD ID: 2311115

Formula: - C17 H13 N -
Comments: Abdoh, M. M. M.; Madan Kumar, S.; Vinay Kumar, K. S.; Manjunath, B. C.; Sadashiva, M. P.; Lokanath, N. K. 5-(Prop-2-yn-1-yl)-5H-dibenzo[b,f]azepine: ortho-rhom-bic polymorph. Acta crystallographica. Section E, Structure reports online 69(Pt 1) (2013) o17
Space group: I b a 2
Cell volume: 2489.76
Cell parameters: 16.2444; 21.17; 7.2399; 90; 90; 90;

COD ID: 4001698

Formula: - C8 H43 La3 O40 P4 -
Comments: Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations Chemistry of Materials 24(19) (2012) 3780
Space group: I b a 2
Cell volume: 4020.5
Cell parameters: 13.4677; 26.8557; 11.116; 90; 90; 90;

COD ID: 4001700

Formula: - C8 H43 Ce3 O40 P4 -
Comments: Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations Chemistry of Materials 24(19) (2012) 3780
Space group: I b a 2
Cell volume: 3969.7
Cell parameters: 13.4033; 26.6912; 11.0963; 90; 90; 90;

COD ID: 4003427

Formula: - C3 Al4 O16 P4 -
Comments: Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A. Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent Chemistry of Materials 22(2) (2010) 338
Space group: I b a 2
Cell volume: 3378.32
Cell parameters: 14.79527; 27.36341; 8.34464; 90; 90; 90;

COD ID: 4003428

Formula: - C2 Al4 N O16 P4 -
Comments: Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A. Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent Chemistry of Materials 22(2) (2010) 338
Space group: I b a 2
Cell volume: 3377.5
Cell parameters: 14.8022; 27.33066; 8.3487; 90; 90; 90;

COD ID: 4003429

Formula: - Al O4 P -
Comments: Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A. Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent Chemistry of Materials 22(2) (2010) 338
Space group: I b a 2
Cell volume: 3390.79
Cell parameters: 14.79668; 27.5248; 8.32555; 90; 90; 90;

COD ID: 4003430

Formula: - Al O4 P -
Comments: Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A. Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent Chemistry of Materials 22(2) (2010) 338
Space group: I b a 2
Cell volume: 3411.6
Cell parameters: 14.7696; 27.6372; 8.35796; 90; 90; 90;

COD ID: 4020906

Formula: - C13 H10 O3 -
Comments: Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura Ruthenium-Catalyzed Cycloaddition between Propargylic Alcohols and Cyclic 1,3-Dicarbonyl Compounds via an Allenylidene Intermediate Journal of Organic Chemistry 69 (2004) 3408-3412
Space group: I b a 2
Cell volume: 2105.55
Cell parameters: 16.5752; 17.3959; 7.3023; 90; 90; 90;

COD ID: 4022018
CIF file	Formula: - C21 H16 O - Comments: Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran Journal of Organic Chemistry 71 (2006) 8291-8293 Space group: I b a 2 Cell volume: 3049.3 Cell parameters: 18.454; 22.937; 7.2039; 90; 90; 90;

COD ID: 4024090
CIF file	Formula: - C14 H17 N O2 - Comments: Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna Synthesis of 2,3-Dihydro-10bH-oxazolo[2,3-a]isoquinolines from ortho-Lithiated Phenyloxazolinyloxiranes Journal of Organic Chemistry 72 (2007) 6316-6319 Space group: I b a 2 Cell volume: 2569.6 Cell parameters: 18.3485; 16.3317; 8.575; 90; 90; 90;

COD ID: 4027294

Formula: - C14 H9 Cl5 O3 -
Comments: Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes Journal of Organic Chemistry 77 (2012) 5971-5981
Space group: I b a 2
Cell volume: 3133
Cell parameters: 11.804; 37.23; 7.129; 90; 90; 90;

COD ID: 4027295

Formula: - C14 H10 Cl4 O3 -
Comments: Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes Journal of Organic Chemistry 77 (2012) 5971-5981
Space group: I b a 2
Cell volume: 2837.4
Cell parameters: 11.6597; 34.37; 7.0803; 90; 90; 90;

COD ID: 4030915
CIF file	Formula: - C24 H20 Cu N4 O7 S2 - Comments: Jovanovski, G.; Naumov, P.; Grupče, O.; Kaitner, B. Structural study of monoaquabis(pyridine)bis(saccharinato)copper(II), [Cu(H~2~O)(py)~2~(sac)~2~] European Journal of Solid State and Inorganic Chemistry 35(3) (1998) 231-242 Space group: I b a 2 Cell volume: 2690.8 Cell parameters: 9.4874; 21.545; 13.164; 90; 90; 90;

COD ID: 4033300
CIF file	Formula: - C20 H27 N O3 S Si - Comments: Wu, Weiming; Chen, Tianyu; Chen, Junjie; Han, Xiuling Cationic Palladium(II)-Catalyzed Reductive Cyclization of Alkynyl Cyclohexadienones. The Journal of organic chemistry (2017) Space group: I b a 2 Cell volume: 4189.3 Cell parameters: 17.8601; 24.785; 9.4639; 90; 90; 90;

COD ID: 4034789
CIF file	Formula: - C30 H30 F8 N2 O3 - Comments: Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Richard P.; Chiu, Sheng-Hsien [2]Catenanes Displaying Switchable Gin-Trap-Like Motion. The Journal of organic chemistry 83(10) (2018) 5619-5628 Space group: I b a 2 Cell volume: 11283.1 Cell parameters: 31.1008; 15.905; 22.8099; 90; 90; 90;

COD ID: 4036208
CIF file	Formula: - C48 H24 - Comments: Geng, Xin; Mague, Joel T.; Pascal, Jr, Robert A Tribenzodecacyclene and hexabenzodecacyclene. The Journal of organic chemistry 80(9) (2015) 4824-4827 Space group: I b a 2 Cell volume: 6328.8 Cell parameters: 27.352; 28.721; 8.0562; 90; 90; 90;

COD ID: 4037665

Formula: - C2 H3 N5 O2 -
Comments: Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity. The Journal of organic chemistry (2019)
Space group: I b a 2
Cell volume: 968.9
Cell parameters: 10.2622; 14.125; 6.684; 90; 90; 90;

COD ID: 4038362

Formula: - C30 H22 N2 O2 Se2 -
Comments: Liu, Zhengfen; Jiang, Yonggang; Liu, Chunxiang; Zhang, Linlin; Wang, Jing; Li, Tiantian; Zhang, Hongbin; Li, Minyan; Yang, Xiaodong Metal-free Synthesis of Phenol-Aryl Selenides via Dehydrogenative C-Se Coupling of Aryl Selenoxides with Phenols. The Journal of organic chemistry (2020)
Space group: I b a 2
Cell volume: 5085.8
Cell parameters: 16.643; 21.249; 14.381; 90; 90; 90;

COD ID: 4060235
CIF file	Formula: - C5 H7 O2 Tl - Comments: Organometallics (2004) Space group: I b a 2 Cell volume: 1257.25 Cell parameters: 11.3256; 20.6199; 5.3836; 90; 90; 90;

COD ID: 4062178
CIF file	Formula: - C28 H26 O2 Sn - Comments: Organometallics (2003) Space group: I b a 2 Cell volume: 4752.4 Cell parameters: 17.662; 40.678; 6.6149; 90; 90; 90;

COD ID: 4063510

Formula: - C17 H21 Cl N O Rh -
Comments: Boutadla, Youcef; Al-Duaij, Omar; Davies, David L.; Griffith, Gerald A.; Singh, Kuldip Mechanistic Study of Acetate-Assisted C‒H Activation of 2-Substituted Pyridines with [MCl2Cp*]2(M = Rh, Ir) and [RuCl2(p-cymene)]2 Organometallics 28(2) (2009) 433-440
Space group: I b a 2
Cell volume: 3313.5
Cell parameters: 14.512; 16.715; 13.66; 90; 90; 90;

COD ID: 4063513

Formula: - C17 H21 Cl Ir N O -
Comments: Boutadla, Youcef; Al-Duaij, Omar; Davies, David L.; Griffith, Gerald A.; Singh, Kuldip Mechanistic Study of Acetate-Assisted C‒H Activation of 2-Substituted Pyridines with [MCl2Cp*]2(M = Rh, Ir) and [RuCl2(p-cymene)]2 Organometallics 28(2) (2009) 433-440
Space group: I b a 2
Cell volume: 3252.4
Cell parameters: 14.227; 16.654; 13.727; 90; 90; 90;

COD ID: 4064761

Formula: - C39 H51 Cl2 O4 P Zr -
Comments: Liu, Jing-Yu; Liu, San-Rong; Li, Bai-Xiang; Li, Yan-Guo; Li, Yue-Sheng Synthesis and Characterization of Novel Half-Metallocene-Type Group IV Complexes Containing Phosphine Oxide‒Phenolate Chelating Ligands and Their Application to Ethylene Polymerization Organometallics 30(15) (2011) 4052
Space group: I b a 2
Cell volume: 7732.5
Cell parameters: 37.906; 10.3445; 19.7199; 90; 90; 90;

COD ID: 4065152
CIF file	Formula: - C104 H120 F72 Hg6 N34 P12 - Comments: Rit, Arnab; Pape, Tania; Hahn, F. Ekkehardt Polynuclear Architectures with Di- and Tricarbene Ligands Organometallics 30(23) (2011) 6393 Space group: I b a 2 Cell volume: 16728 Cell parameters: 30.443; 18.8901; 29.089; 90; 90; 90;

COD ID: 4066430

Formula: - C35 H32 N2 -
Comments: Enk, Barbara; Eisenstecken, Daniela; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Pevny, Florian; Winter, Rainer F.; Bildstein, Benno Doubly N-Functionalized Pentafulvenes and Redox-Responsive [N,N]- and [N,C,N]-Pincer Bis(imidoyl)pentamethylruthenocene Metalloligands Organometallics 29(14) (2010) 3169
Space group: I b a 2
Cell volume: 2667.88
Cell parameters: 11.3797; 13.7855; 17.0064; 90; 90; 90;

COD ID: 4067092

Formula: - C70 H112 Cu4 N8 Si2 Ti6 -
Comments: Martínez-Espada, Noelia; Mena, Miguel; Mosquera, Marta E. G.; Pérez-Redondo, Adrián; Yélamos, Carlos Cyclopentadienyl and Alkynyl Copper(I) Derivatives with the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand Organometallics 29(24) (2010) 6732
Space group: I b a 2
Cell volume: 16331
Cell parameters: 18.459; 30.104; 29.388; 90; 90; 90;

COD ID: 4068729

Formula: - C180 H250 Cl8 N8 O13 Zr4 -
Comments: Cohen, Ad; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe C1-Symmetric Zirconium Complexes of [ONNO′]-Type Salan Ligands: Accurate Control of Catalyst Activity, Isospecificity, and Molecular Weight in 1-Hexene Polymerization Organometallics 28(5) (2009) 1391
Space group: I b a 2
Cell volume: 9089.5
Cell parameters: 28.4938; 17.8978; 17.8233; 90; 90; 90;

COD ID: 4070221
CIF file	Formula: - C17 H24 Br2 N4 Pd - Comments: Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An 13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II) Organometallics 28(18) (2009) 5395 Space group: I b a 2 Cell volume: 4068.8 Cell parameters: 16.9297; 24.8457; 9.6732; 90; 90; 90;

COD ID: 4070551
CIF file	Formula: - C35 H57 Fe N2 O Sc Si2 - Comments: Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L. Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand Organometallics 27(3) (2008) 363 Space group: I b a 2 Cell volume: 14372 Cell parameters: 68.24; 10.606; 19.858; 90; 90; 90;

COD ID: 4070621

Formula: - C23 H26 B N7 O Ru S3 -
Comments: Crossley, Ian R.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Owen, Gareth R.; White, Andrew J. P.; Williams, David J.; Willis, Anthony C. Synthesis of the Ruthenaboratranes [Ru(CS)(PPh3){B(mt)3}](Ruρightarrow B)8and [Ru(CO)(CNR){B(mt)3}](Ru→B)8(mt = methimazolyl, R =tBu, C6H3Me2-2,6, C6H2Me3-2,4,6) Organometallics 27(3) (2008) 381
Space group: I b a 2
Cell volume: 5416.37
Cell parameters: 25.124; 13.124; 16.4268; 90; 90; 90;

COD ID: 4070781

Formula: - C23 H26 Cl Ir N2 O2 -
Comments: Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P. Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System Organometallics 27(2) (2008) 202
Space group: I b a 2
Cell volume: 5122
Cell parameters: 24.62; 24.621; 8.4498; 90; 90; 90;

COD ID: 4071552

Formula: - C8.5 H4 Fe2 O6 S2 -
Comments: Song, Li-Cheng; Fang, Xiao-Niu; Li, Chang-Gong; Yan, Jing; Bao, Hai-Lin; Hu, Qing-Mei Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Generated from Tetrathiols, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles To Give Neutral Butterfly Fe/S Cluster Complexes Organometallics 27(13) (2008) 3225
Space group: I b a 2
Cell volume: 2649
Cell parameters: 11.825; 17.627; 12.708; 90; 90; 90;

COD ID: 4073951
CIF file	Formula: - C18 H23 Br2 N3 Pd - Comments: Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng Syntheses and Characterizations of Pd(II) Complexes Incorporating aN-Heterocyclic Carbene and AromaticN-Heterocycles Organometallics 26(25) (2007) 6447 Space group: I b a 2 Cell volume: 4082.8 Cell parameters: 16.99; 24.792; 9.693; 90; 90; 90;

COD ID: 4083676

Formula: - C42 H54 N4 O Yb2 -
Comments: Pi, Chengfu; Zhang, Zhengxing; Pang, Zhen; Zhang, Jie; Luo, Jun; Chen, Zhenxia; Weng, Linhong; Zhou, Xigeng Multiple N−H Bond Activation: Synthesis and Reactivity of Functionalized Primary Amido Ytterbium Complexes Organometallics 26(8) (2007) 1934
Space group: I b a 2
Cell volume: 8277
Cell parameters: 20.31; 42.705; 9.543; 90; 90; 90;

COD ID: 4086047
CIF file	Formula: - C66 H69 Cl N P3 Rh - Comments: Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3‒H Metal Interaction Organometallics 34(14) (2015) 3629 Space group: I b a 2 Cell volume: 11491.8 Cell parameters: 19.6864; 53.858; 10.8386; 90; 90; 90;

COD ID: 4088183
CIF file	Formula: - C27 H43 P2 Ru - Comments: Zhang, Yuxuan; Fang, Huaquan; Yao, Wubing; Leng, Xuebing; Huang, Zheng Synthesis of Pincer Hydrido Ruthenium Olefin Complexes for Catalytic Alkane Dehydrogenation Organometallics 35(2) (2016) 181 Space group: I b a 2 Cell volume: 5061.8 Cell parameters: 15.0644; 29.8369; 11.2616; 90; 90; 90;

COD ID: 4101250

Formula: - C52 H45 Br2 Ir N2 O2 S2 -
Comments: Evans, Nicholas R; Sudha Devi, Lekshmi; Mak, Chris S K; Watkins, Scott E; Pascu, Sofia I; Köhler, Anna; Friend, Richard H; Williams, Charlotte K; Holmes, Andrew B Triplet energy back transfer in conjugated polymers with pendant phosphorescent iridium complexes. Journal of the American Chemical Society 128(20) (2006) 6647-6656
Space group: I b a 2
Cell volume: 9718.4
Cell parameters: 46.929; 11.5729; 17.8941; 90; 90; 90;

COD ID: 4103688
CIF file	Formula: - C52.75 H74.75 Fe2 O2 - Comments: Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds Journal of the American Chemical Society 132 (2010) 17399-17401 Space group: I b a 2 Cell volume: 10077.6 Cell parameters: 27.5; 19.024; 19.263; 90; 90; 90;

COD ID: 4103689
CIF file	Formula: - C49 H66 Cr Fe O2 - Comments: Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds Journal of the American Chemical Society 132 (2010) 17399-17401 Space group: I b a 2 Cell volume: 10014.8 Cell parameters: 28.5365; 18.6658; 18.8017; 90; 90; 90;

COD ID: 4103690
CIF file	Formula: - C52.75 H74.75 Fe Mn O2 - Comments: Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds Journal of the American Chemical Society 132 (2010) 17399-17401 Space group: I b a 2 Cell volume: 10072.9 Cell parameters: 27.3962; 19.0486; 19.3019; 90; 90; 90;

COD ID: 4104204

Formula: - C50 H45 Br2 Cl3 N4 -
Comments: Hakan Usta; Chad Risko; Zhiming Wang; Hui Huang; Murat K. Deliomeroglu; Aleksandr Zhukhovitskiy; Antonio Facchetti; Tobin J. Marks Design, Synthesis, and Characterization of Ladder-Type Molecules and Polymers. Air-Stable, Solution-Processablen-Channel and Ambipolar Semiconductors for Thin-Film Transistors via Experiment and Theory Journal of the American Chemical Society 131 (2009) 5586-5608
Space group: I b a 2
Cell volume: 17959.3
Cell parameters: 22.2091; 22.2174; 36.397; 90; 90; 90;

COD ID: 4105532

Formula: - C216 H180 B12 Cu6 F48 N54 -
Comments: Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion Journal of the American Chemical Society 133 (2011) 858-870
Space group: I b a 2
Cell volume: 53802
Cell parameters: 31.7261; 56.9758; 29.7638; 90; 90; 90;

COD ID: 4108259
CIF file	Formula: - C22 H32 N4 - Comments: Stephen F. Nelsen; Gaoquan Li; Kevin P. Schultz; Hieu Q. Tran; Ilia A. Guzei; Dennis H. Evans Alkylated Trimethylene-Bridged Bis(p-Phenylenediamines) Journal of the American Chemical Society 130 (2008) 11620-11622 Space group: I b a 2 Cell volume: 3887.41 Cell parameters: 17.3647; 20.5552; 10.8911; 90; 90; 90;

COD ID: 4111832

Formula: - C7 H9 N O -
Comments: Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures Journal of the American Chemical Society 127 (2005) 10545-10559
Space group: I b a 2
Cell volume: 1337.17
Cell parameters: 21.609; 7.4822; 8.2703; 90; 90; 90;

COD ID: 4112258

Formula: - C10 H12 O4 -
Comments: Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes Journal of the American Chemical Society 126 (2004) 2035-2041
Space group: I b a 2
Cell volume: 1988.9
Cell parameters: 13.483; 21.392; 6.8956; 90; 90; 90;

COD ID: 4116366

Formula: - C64 H51 Fe N7 O -
Comments: Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins Journal of the American Chemical Society 121 (1999) 3829-3844
Space group: I b a 2
Cell volume: 10239.5
Cell parameters: 38.823; 12.3148; 21.4172; 90; 90; 90;

COD ID: 4119101
CIF file	Formula: - C26 H30 Cu N4 - Comments: Park, Kyung-Ho; Marshall, Will J. Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD Journal of the American Chemical Society 127(26) (2005) 9330-9331 Space group: I b a 2 Cell volume: 2339 Cell parameters: 11.437; 21.583; 9.476; 90; 90; 90;

COD ID: 4132965

Formula: - C19.25 H18.75 N2 O4.125 -
Comments: Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes. Journal of the American Chemical Society 140(37) (2018) 11829-11835
Space group: I b a 2
Cell volume: 3478.94
Cell parameters: 21.8904; 22.987; 6.9137; 90; 90; 90;

COD ID: 4134931

Formula: - C14 H21 N O -
Comments: Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy. Journal of the American Chemical Society (2020)
Space group: I b a 2
Cell volume: 5332.9
Cell parameters: 16.9364; 18.8622; 16.6935; 90; 90; 90;

COD ID: 4135049

Formula: - C79 H96 Br4 Co2 F12 N8 O13 P2 -
Comments: Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes. Journal of the American Chemical Society (2020)
Space group: I b a 2
Cell volume: 8249
Cell parameters: 17.948; 20.058; 22.915; 90; 90; 90;

COD ID: 4301122

Formula: - C19.5 H26 N4 O4.5 -
Comments: Marie Heitzmann; Florence Bravard; Christelle Gateau; Nathalie Boubals; Claude Berthon; Jacques Pécaut; Marie-Christine Charbonnel; Pascale Delangle Comparison of Two Tetrapodal N,O Ligands: Impact of the Softness of the Heterocyclic N-Donors Pyridine and Pyrazine on the Selectivity for Am(III) over Eu(III) Inorganic Chemistry 48 (2009) 246-256
Space group: I b a 2
Cell volume: 4072.6
Cell parameters: 26.188; 10.947; 14.206; 90; 90; 90;

COD ID: 4302018
CIF file	Formula: - C73.5 H70 Fe2 N6 O - Comments: Edward C. Weintrob; Daniel Tofan; John E. Bercaw Synthesis and Characterization of Iron Derivatives Having a Pyridine-Linked Bis(anilide) Pincer Ligand Inorganic Chemistry 48 (2009) 3808-3813 Space group: I b a 2 Cell volume: 11825.8 Cell parameters: 19.8707; 39.4031; 15.1038; 90; 90; 90;

COD ID: 4306792

Formula: - C43 H49.5 F N4 Ni O4 -
Comments: Anna Arola-Arnal; Jordi Benet-Buchholz; Stephen Neidle; Ramón Vilar Effects of Metal Coordination Geometry on Stabilization of Human Telomeric Quadruplex DNA by Square-Planar and Square-Pyramidal Metal Complexes Inorganic Chemistry 47 (2008) 11910-11919
Space group: I b a 2
Cell volume: 7968.9
Cell parameters: 26.765; 31.067; 9.5837; 90; 90; 90;

COD ID: 4309308

Formula: - C15 H39.5 Cl0.5 Li N4 O16 P Tb -
Comments: Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants Inorganic Chemistry 44 (2005) 5591-5599
Space group: I b a 2
Cell volume: 5280.8
Cell parameters: 33.968; 9.192; 16.913; 90; 90; 90;

COD ID: 4311629
CIF file	Formula: - C5 H21 Co N4 O7 S2 - Comments: Basam M. Alzoubi; Günter Liehr; Rudi van Eldik Mechanistic Elucidation of the Substitution Behavior of Alkyl Cobaloximes in Water and Methanol as Solvents Inorganic Chemistry 43 (2004) 6093-6100 Space group: I b a 2 Cell volume: 2831 Cell parameters: 19.913; 12.094; 11.754; 90; 90; 90;

COD ID: 4314847
CIF file	Formula: - C50 H62 Au Cl2 F6 N4 P S2 - Comments: Saira Naeem; Lionel Delaude; Andrew J. P. White; James D. E. T. Wilton-Ely The Use of Imidazolium-2-dithiocarboxylates in the Formation of Gold(I) Complexes and Gold Nanoparticles Inorganic Chemistry 49(4) (2010) 1784-1793 Space group: I b a 2 Cell volume: 10793.9 Cell parameters: 16.8989; 31.95473; 19.98864; 90; 90; 90;

COD ID: 4316476
CIF file	Formula: - C8 H20 Au2 O4 P2 Se4 - Comments: Hong-Jhin You; Ching-Shiang Fang; Ju-Ling Lin; Shih-Sheng Sun; C. W. Liu Dinuclear Gold Diselenophosphate Complexes: Structures and Photoluminescence Inorganic Chemistry 49 (2010) 7641-7643 Space group: I b a 2 Cell volume: 2014.1 Cell parameters: 19.2519; 8.7533; 11.9519; 90; 90; 90;

COD ID: 4317256
CIF file	Formula: - C36 H81 Cr O5 Si - Comments: Stanislav Groysman; Dino Villagrán; Daniel G. Nocera Pseudotetrahedral d0, d1, and d2 Metal-Oxo Cores within a Tris(alkoxide) Platform Inorganic Chemistry 49 (2010) 10759-10761 Space group: I b a 2 Cell volume: 7849.6 Cell parameters: 19.15; 36.173; 11.3317; 90; 90; 90;

COD ID: 4322206
CIF file	Formula: - C20 H40 Al2 B2 O2 - Comments: Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In Inorganic Chemistry 38 (1999) 3796-3800 Space group: I b a 2 Cell volume: 2428.5 Cell parameters: 19.142; 9.876; 12.846; 90; 90; 90;

COD ID: 4322367

Formula: - C25 H41 Cl N6 O4 Pd2 S4 -
Comments: Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations Inorganic Chemistry 38 (1999) 5453-5456
Space group: I b a 2
Cell volume: 3469.8
Cell parameters: 19.056; 11.248; 16.188; 90; 90; 90;

COD ID: 4323317

Formula: - C16 H42 Cl4 N4 W2 -
Comments: F. Albert Cotton; Evgeny V. Dikarev; N. Nawar; Wai-Yeung Wong W2Cl4(NR2)2(PR'3)2 Molecules. 4. A New Synthetic Route to Products with a Staggered Conformation. Preparations and Characterizations of W2Cl4(NR2)2(PR'3)2 (R = Et, Bu, Hex; R'3= Me3, Et2H) and an Intermediate Complex W2Cl4(NEt2)2(NHEt2)2 Inorganic Chemistry 36 (1997) 559-566
Space group: I b a 2
Cell volume: 2695.8
Cell parameters: 11.6704; 13.336; 17.321; 90; 90; 90;

COD ID: 4323689

Formula: - C41.75 H39 B Cl6.5 Co F0 N0 O0.13 P3 -
Comments: Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity Inorganic Chemistry 36 (1997) 5457-5469
Space group: I b a 2
Cell volume: 18558
Cell parameters: 23.452; 23.483; 33.697; 90; 90; 90;

COD ID: 4324306
CIF file	Formula: - C30 H28 Fe N10 O S2 - Comments: Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer Inorganic Chemistry 50 (2011) 911-917 Space group: I b a 2 Cell volume: 6910 Cell parameters: 29.549; 12.5168; 18.6829; 90; 90; 90;

COD ID: 4327195

Formula: - C8 H10 Br2 Cl4 N4 Ni O2 Re -
Comments: José Martínez-Lillo; Donatella Armentano; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus First Magnetostructural Study on a Heterodinuclear 2,2'-Bipyrimidine-Bridged Complex Inorganic Chemistry 50 (2011) 12405-12407
Space group: I b a 2
Cell volume: 2163.3
Cell parameters: 6.8978; 13.1462; 23.8569; 90; 90; 90;

COD ID: 4333527

Formula: - C36 H36 Li4 N4 O10 -
Comments: Tae Kyung Kim; Jae Hwa Lee; Dohyun Moon; Hoi Ri Moon Luminescent Li-Based Metal-Organic Framework Tailored for the Selective Detection of Explosive Nitroaromatic Compounds: Direct Observation of Interaction Sites Inorganic Chemistry 52 (2013) 589-595
Space group: I b a 2
Cell volume: 10549
Cell parameters: 28.467; 28.594; 12.96; 90; 90; 90;

COD ID: 4333528

Formula: - C36 H31 Li4 N3 O12 -
Comments: Tae Kyung Kim; Jae Hwa Lee; Dohyun Moon; Hoi Ri Moon Luminescent Li-Based Metal-Organic Framework Tailored for the Selective Detection of Explosive Nitroaromatic Compounds: Direct Observation of Interaction Sites Inorganic Chemistry 52 (2013) 589-595
Space group: I b a 2
Cell volume: 10629
Cell parameters: 28.71; 28.737; 12.883; 90; 90; 90;

COD ID: 4337924

Formula: - C26 H39 I2 O3 U -
Comments: Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C. Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes. Inorganic chemistry 53(7) (2014) 3730
Space group: I b a 2
Cell volume: 6671.2
Cell parameters: 22.2642; 24.4304; 12.265; 90; 90; 90;

COD ID: 4340087

Formula: - C38 H34 Ag2 N8 O6 -
Comments: Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. Inorganic chemistry 53(14) (2014) 7599-7607
Space group: I b a 2
Cell volume: 20173
Cell parameters: 23.407; 29.545; 29.171; 90; 90; 90;

COD ID: 4340088

Formula: - C38 H34 Ag2 N8 O6 -
Comments: Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. Inorganic chemistry 53(14) (2014) 7599-7607
Space group: I b a 2
Cell volume: 19632.1
Cell parameters: 23.2918; 27.1541; 31.0404; 90; 90; 90;

COD ID: 4340089

Formula: - C40 H38 Ag2 N8 O6 -
Comments: Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. Inorganic chemistry 53(14) (2014) 7599-7607
Space group: I b a 2
Cell volume: 20299.4
Cell parameters: 23.3024; 29.3223; 29.7087; 90; 90; 90;

COD ID: 4340090

Formula: - C38 H34 Ag2 N8 O8 -
Comments: Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. Inorganic chemistry 53(14) (2014) 7599-7607
Space group: I b a 2
Cell volume: 19384.8
Cell parameters: 23.2149; 27.5663; 30.2911; 90; 90; 90;

COD ID: 4340092

Formula: - C40 H38 Ag2 N8 O6 -
Comments: Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. Inorganic chemistry 53(14) (2014) 7599-7607
Space group: I b a 2
Cell volume: 20291.2
Cell parameters: 23.1895; 29.6451; 29.5164; 90; 90; 90;

COD ID: 4340093

Formula: - C40 H38 Ag2 N8 O6 -
Comments: Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. Inorganic chemistry 53(14) (2014) 7599-7607
Space group: I b a 2
Cell volume: 20137.1
Cell parameters: 23.3285; 27.992; 30.8373; 90; 90; 90;

COD ID: 4340094

Formula: - C42 H42 Ag2 N8 O6 -
Comments: Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. Inorganic chemistry 53(14) (2014) 7599-7607
Space group: I b a 2
Cell volume: 20354.5
Cell parameters: 23.3987; 28.2329; 30.8115; 90; 90; 90;

COD ID: 4340095

Formula: - C40 H38 Ag2 N8 O8 -
Comments: Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. Inorganic chemistry 53(14) (2014) 7599-7607
Space group: I b a 2
Cell volume: 19684.1
Cell parameters: 23.2372; 28.5061; 29.7162; 90; 90; 90;

COD ID: 4340096

Formula: - C40 H38 Ag2 N8 O8 -
Comments: Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. Inorganic chemistry 53(14) (2014) 7599-7607
Space group: I b a 2
Cell volume: 19696.3
Cell parameters: 22.9914; 29.758; 28.7883; 90; 90; 90;

COD ID: 4340097

Formula: - C42 H42 Ag2 N8 O10 -
Comments: Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. Inorganic chemistry 53(14) (2014) 7599-7607
Space group: I b a 2
Cell volume: 19377
Cell parameters: 23.335; 30.373; 27.34; 90; 90; 90;

COD ID: 4344032

Formula: - C40 H35 B F2 Fe N2 O4 -
Comments: Zatsikha, Yuriy V.; Maligaspe, Eranda; Purchel, Anatolii A.; Didukh, Natalia O.; Wang, Yefeng; Kovtun, Yuriy P.; Blank, David A.; Nemykin, Victor N. Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs. Inorganic chemistry 54(16) (2015) 7915-7928
Space group: I b a 2
Cell volume: 7375.4
Cell parameters: 18.72; 48.938; 8.0507; 90; 90; 90;

COD ID: 4344469

Formula: - C2 H8 Cl2 Mn N4 O2 -
Comments: Manson, Jamie L.; Huang, Qing-Zhen; Brown, Craig M.; Lynn, Jeffrey W.; Stone, Matthew B.; Singleton, John; Xiao, Fan Magnetic Structure and Exchange Interactions in Quasi-One-Dimensional MnCl2(urea)2. Inorganic chemistry 54(24) (2015) 11897-11905
Space group: I b a 2
Cell volume: 845.87
Cell parameters: 9.163; 12.5772; 7.3398; 90; 90; 90;

COD ID: 4346344

Formula: - C30 H22 N20 Ni O20 -
Comments: Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals. Inorganic chemistry 54(16) (2015) 8077-8086
Space group: I b a 2
Cell volume: 9429
Cell parameters: 22.648; 19.359; 21.505; 90; 90; 90;

COD ID: 4346689

Formula: - C H8 B N -
Comments: Stubbs, Naomi E.; Schäfer, André; Robertson, Alasdair P. M.; Leitao, Erin M.; Jurca, Titel; Sparkes, Hazel A.; Woodall, Christopher H.; Haddow, Mairi F.; Manners, Ian B-Methylated Amine-Boranes: Substituent Redistribution, Catalytic Dehydrogenation, and Facile Metal-Free Hydrogen Transfer Reactions. Inorganic chemistry 54(22) (2015) 10878-10889
Space group: I b a 2
Cell volume: 692.9
Cell parameters: 9.8; 13.708; 5.1576; 90; 90; 90;

COD ID: 4348200

Formula: - C8 H22 N12 O6 S4 Zn -
Comments: Vaidya, Shefali; Tewary, Subrata; Singh, Saurabh Kumar; Langley, Stuart K.; Murray, Keith S.; Lan, Yanhua; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Shanmugam, Maheswaran What Controls the Sign and Magnitude of Magnetic Anisotropy in Tetrahedral Cobalt(II) Single-Ion Magnets? Inorganic chemistry 55(19) (2016) 9564-9578
Space group: I b a 2
Cell volume: 2449.3
Cell parameters: 18.721; 10.223; 12.798; 90; 90; 90;

COD ID: 4501771
CIF file	Formula: - C20 H14 O2 - Comments: Lee, Tu; Peng, Jen Fan Photoluminescence and Crystal Structures of Chiro-Optical 1,1′-Bi-2-naphthol Crystals and Their Inclusion Compounds with Dimethyl Sulfoxide Crystal Growth & Design 10(8) (2010) 3547 Space group: I b a 2 Cell volume: 2931.2 Cell parameters: 15.7042; 21.6248; 8.6312; 90; 90; 90;

COD ID: 4502744

Formula: - C78 H76 N6 Ni2 O17 -
Comments: Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism Crystal Growth & Design 12(1) (2012) 79
Space group: I b a 2
Cell volume: 14261
Cell parameters: 13.983; 29.496; 34.577; 90; 90; 90;

COD ID: 4503259
CIF file	Formula: - C34 H44 Cu N10 O6 S2 - Comments: Zhang, Wen-Li; Liu, Ying-Ying; Ma, Jian-Fang; Jiang, Hui; Yang, Jin; Ping, Guang-Ju Fine Tuning of the Cu(II)-Bis(imidazole) Networks by Changing Sulfonate Anions Crystal Growth & Design 8(4) (2008) 1250 Space group: I b a 2 Cell volume: 7562.9 Cell parameters: 37.709; 12.302; 16.303; 90; 90; 90;

COD ID: 4503691
CIF file	Formula: - C36 H54 N24 O12 Zn6 - Comments: Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks Crystal Growth & Design 8(10) (2008) 3673 Space group: I b a 2 Cell volume: 11071 Cell parameters: 14.966; 75.384; 9.813; 90; 90; 90;

COD ID: 4503692
CIF file	Formula: - C13 H20 N8 O4 Zn2 - Comments: Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks Crystal Growth & Design 8(10) (2008) 3673 Space group: I b a 2 Cell volume: 3848.5 Cell parameters: 15.962; 24.972; 9.655; 90; 90; 90;

COD ID: 4503693
CIF file	Formula: - C14 H22 N8 O4 Zn2 - Comments: Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks Crystal Growth & Design 8(10) (2008) 3673 Space group: I b a 2 Cell volume: 4064 Cell parameters: 18.203; 23.242; 9.606; 90; 90; 90;

COD ID: 4507209

Formula: - C10 H15 N O3 -
Comments: Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids Crystal Growth & Design 13(1) (2013) 143
Space group: I b a 2
Cell volume: 2105.4
Cell parameters: 9.795; 26.905; 7.989; 90; 90; 90;

COD ID: 4507847

Formula: - C4 H4 O4 Pb S -
Comments: Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A. Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties Crystal Growth & Design 13(6) (2013) 2573
Space group: I b a 2
Cell volume: 1319.37
Cell parameters: 19.2945; 9.0591; 7.5483; 90; 90; 90;

COD ID: 4512270
CIF file	Formula: - C24 H58 Cu7 O54 - Comments: Clegg, William; Holcroft, James M. Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design? Crystal Growth & Design 14(12) (2014) 6282 Space group: I b a 2 Cell volume: 5208.67 Cell parameters: 19.26; 21.0541; 12.845; 90; 90; 90;

COD ID: 4512961
CIF file	Formula: - C56 H56 N4 O8 - Comments: Patil, Rahul S.; Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L. Solvent-Induced Manipulation of Supramolecular Organic Frameworks Crystal Growth & Design 15(6) (2015) 2781 Space group: I b a 2 Cell volume: 9499.9 Cell parameters: 26.9942; 18.3383; 19.1907; 90; 90; 90;

COD ID: 4514360

Formula: - C52 H44 Br2 Cl8 N2 Ni -
Comments: Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching ACS Catalysis 8(2) (2018) 1104
Space group: I b a 2
Cell volume: 5999
Cell parameters: 24.752; 10.97; 22.093; 90; 90; 90;

COD ID: 4515832
CIF file	Formula: - C13 H11 N3 O - Comments: Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I. A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones. ACS combinatorial science 20(5) (2018) 256-260 Space group: I b a 2 Cell volume: 2116.9 Cell parameters: 14.7666; 20.376; 7.0357; 90; 90; 90;

COD ID: 4519280

Formula: - Cd2 Cs2 Ga8 S15 -
Comments: Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: d10 Metal; M: Main Group Metal; Q: Chalcogen) System. ACS applied materials & interfaces 14(3) (2022) 4352-4359
Space group: I b a 2
Cell volume: 2697.2
Cell parameters: 11.8574; 12.9781; 17.527; 90; 90; 90;

COD ID: 7000141

Formula: - C4 H6 Cu N3 -
Comments: Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming Supramolecular isomerism within three-dimensional 3-connected nets: unusual synthesis and characterization of trimorphic copper(I) 3,5-dimethyl-1,2,4-triazolate. Dalton transactions (Cambridge, England : 2003) (issue 22) (2005) 3681-3685
Space group: I b a 2
Cell volume: 1609
Cell parameters: 8.0423; 11.531; 17.3505; 90; 90; 90;

COD ID: 7001952

Formula: - C42 H66 Ag4 I4 N4 O2 P2 -
Comments: Raynal, Matthieu; Liu, Xianghao; Pattacini, Roberto; Vallée, Christophe; Olivier-Bourbigou, Hélène; Braunstein, Pierre Unprecedented cubane-type silver cluster with a novel phosphinite functionalized N-heterocyclic carbene ligand Dalton Transactions (issue 35) (2009) 7288
Space group: I b a 2
Cell volume: 10565.3
Cell parameters: 17.0929; 17.4818; 35.3573; 90; 90; 90;

COD ID: 7002262
CIF file	Formula: - C35.5 H54.5 Cl7.5 Co2 N4 O3 - Comments: Sachse, Anna; Demeshko, Serhiy; Meyer, Franc Structural and magnetic variability of cobalt(II) complexes with bridging pyrazolate ligands bearing appended imine groups Dalton Transactions (issue 37) (2009) 7756-7764 Space group: I b a 2 Cell volume: 9151.3 Cell parameters: 16.3211; 17.7522; 31.585; 90; 90; 90;

COD ID: 7004568
CIF file	Formula: - C14 H7 Mn N3 O8 - Comments: Li, Wei; Jia, Hong-Peng; Ju, Zhan-Feng; Zhang, Jie A series of manganese‒carboxylate coordination polymers exhibiting diverse magnetic properties Dalton Transactions (issue 39) (2008) 5350-5357 Space group: I b a 2 Cell volume: 3488.5 Cell parameters: 18.3259; 25.3; 7.524; 90; 90; 90;

COD ID: 7005408

Formula: - C8 H26 As N6 Nd Se4 -
Comments: Jia, Dingxian; Zhu, Aimei; Deng, Jie; Zhang, Yong; Dai, Jie Direct solvothermal growth, crystal structures, and optical properties of one-dimensional lanthanide selenidoarsenate(v) polymers [Ln(dien)2(micro3-AsSe4)] (Ln = Nd, Sm): the first example of an AsSe4(3-) anion acting as a ligand to a lanthanide complex. Dalton transactions (Cambridge, England : 2003) (issue 20) (2007) 2083-2086
Space group: I b a 2
Cell volume: 3877.6
Cell parameters: 16.542; 26.674; 8.788; 90; 90; 90;

COD ID: 7007391

Formula: - C27 H54 F12 N6 Ni2 O3 P2 -
Comments: Lozano, A. Abel; Sáez, Magalí; Pérez, José; García, Luís; Lezama, Luís; Rojo, Teófilo; López, Gregorio; García, Gabriel; Santana, Ma Dolores Structure and magnetic properties of carbonate-bridged five-coordinate nickel(II) complexes controlled by solvent effect. Dalton transactions (Cambridge, England : 2003) (issue 32) (2006) 3906-3911
Space group: I b a 2
Cell volume: 4223.8
Cell parameters: 15.977; 16.6924; 15.8375; 90; 90; 90;

COD ID: 7009856
CIF file	Formula: - C48 H36 N6 Ni O8 - Comments: Biradha, Kumar; Fujita, Makoto Co-ordination polymers containing square grids of dimension 15 × 15 Å † Journal of the Chemical Society, Dalton Transactions (issue 21) (2000) 3805 Space group: I b a 2 Cell volume: 4324 Cell parameters: 9.905; 18.973; 23.009; 90; 90; 90;

COD ID: 7010246

Formula: - C45 H51 Mo N3 O4 -
Comments: Baker, Murray V.; Brown, David H.; Skelton, Brian W.; White, Allan H. An investigation of 1,4,7-tri(4-alkynyl)-1,4,7-triazacyclononanes: ligand synthesis and metal co-ordination chemistry † Journal of the Chemical Society, Dalton Transactions (issue 24) (2000) 4607
Space group: I b a 2
Cell volume: 8084
Cell parameters: 25.283; 14.986; 21.337; 90; 90; 90;

COD ID: 7012890
CIF file	Formula: - C15 H30 B3 N3 Si3 - Comments: Jörg Haberecht; Anja Krummland; Frank Breher; Björn Gebhardt; Heinz Rüegger; Reinhard Nesper; Hansjörg Grützmacher Functionalized borazines as precursors for new silica gels Dalton Trans. (issue 11) (2003) 2126-2132 Space group: I b a 2 Cell volume: 4931.1 Cell parameters: 16.739; 23.863; 12.345; 90; 90; 90;

COD ID: 7013265
CIF file	Formula: - C40 H81 Al2.5 Cl2.5 O14 P2 - Comments: Thierry Azaïs; Christian Bonhomme; Laure Bonhomme-Coury; Guido Kickelbick Aluminophosphonate clusters: a new architecture Dalton Trans. (issue 16) (2003) 3158-3159 Space group: I b a 2 Cell volume: 11344 Cell parameters: 20.56; 22.659; 24.35; 90; 90; 90;

COD ID: 7015678

Formula: - C57 H49 Br2 Cl3 Fe2 Hg N2 P2 -
Comments: Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II). Dalton transactions (Cambridge, England : 2003) 40(17) (2011) 4722-4740
Space group: I b a 2
Cell volume: 10665.1
Cell parameters: 13.7805; 40.4138; 19.15; 90; 90; 90;

COD ID: 7015711

Formula: - C16 H28 Fe N2 O2 -
Comments: Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P. Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii). Dalton transactions (Cambridge, England : 2003) 40(22) (2011) 5881-5890
Space group: I b a 2
Cell volume: 3441.18
Cell parameters: 10.6628; 15.7409; 20.5025; 90; 90; 90;

COD ID: 7015712

Formula: - C16 H28 N2 O2 Zn -
Comments: Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P. Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii). Dalton transactions (Cambridge, England : 2003) 40(22) (2011) 5881-5890
Space group: I b a 2
Cell volume: 3445.26
Cell parameters: 10.626; 15.6935; 20.6601; 90; 90; 90;

COD ID: 7015889

Formula: - C85 H121 In6 N24 O40.5 -
Comments: Oh, Minhak; Liu, Xinfang; Park, Mira; Kim, Dongwook; Moon, Dohyun; Lah, Myoung Soo Entropically driven self-assembly of a strained hexanuclear indium metal-organic macrocycle and its behavior in solution. Dalton transactions (Cambridge, England : 2003) 40(21) (2011) 5720-5727
Space group: I b a 2
Cell volume: 22395
Cell parameters: 22.955; 47.028; 20.745; 90; 90; 90;

COD ID: 7017990

Formula: - C204 H118 Cu6 F36 N24 P6 S6 -
Comments: Cox, Nicola M.; Harding, Lindsay P.; Jones, Jennifer E.; Pope, Simon J. A.; Rice, Craig R.; Adams, Harry Probing solution behaviour of metallosupramolecular complexes using pyrene fluorescence. Dalton transactions (Cambridge, England : 2003) 41(5) (2012) 1568-1573
Space group: I b a 2
Cell volume: 20122.5
Cell parameters: 45.237; 18.6322; 23.8739; 90; 90; 90;

COD ID: 7018399

Formula: - C59 H60 Cl2 Ni O4 P4 -
Comments: Reitsamer, Christian; Stallinger, Silvia; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Obendorf, Dagmar; Peringer, Paul Novel access to carbodiphosphoranes in the coordination sphere of group 10 metals: template synthesis and protonation of PCP pincer carbodiphosphorane complexes of C(dppm)(2). Dalton transactions (Cambridge, England : 2003) 41(12) (2012) 3503-3514
Space group: I b a 2
Cell volume: 5526.19
Cell parameters: 9.6018; 23.6046; 24.3824; 90; 90; 90;

COD ID: 7018659

Formula: - C25 H30 N6 O2 -
Comments: Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre Chelation-controlled molecular morphology: aminal to imine rearrangements. Dalton transactions (Cambridge, England : 2003) 41(15) (2012) 4335-4357
Space group: I b a 2
Cell volume: 4886.6
Cell parameters: 17.58; 21.6924; 12.814; 90; 90; 90;

COD ID: 7019091

Formula: - C33 H25 F6 Ir N2 O4 S2 -
Comments: Wang, Renjie; Deng, Lijun; Zhang, Ting; Li, Jiuyan Substituent effect on the photophysical properties, electrochemical properties and electroluminescence performance of orange-emitting iridium complexes. Dalton transactions (Cambridge, England : 2003) 41(22) (2012) 6833-6841
Space group: I b a 2
Cell volume: 3439
Cell parameters: 11.985; 16.493; 17.398; 90; 90; 90;

COD ID: 7021388

Formula: - C12 H12 K2 O21 P6 Zn5 -
Comments: Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers. Dalton transactions (Cambridge, England : 2003) 42(29) (2013) 10424-10432
Space group: I b a 2
Cell volume: 2732.42
Cell parameters: 8.4899; 16.1856; 19.8846; 90; 90; 90;

COD ID: 7021391

Formula: - C12 H18 N2 O21 P6 Zn5 -
Comments: Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers. Dalton transactions (Cambridge, England : 2003) 42(29) (2013) 10424-10432
Space group: I b a 2
Cell volume: 2759.55
Cell parameters: 8.5337; 16.1764; 19.9903; 90; 90; 90;

COD ID: 7025131

Formula: - C23 H17 Cl3 Co N4 O4 -
Comments: Kawade, Vitthal A.; Kumbhar, Avinash S.; Naik, Devidas B.; Butcher, Ray J. Synthesis, characterization and pulse radiolysis of cobalt(II) complexes of 2-picolinate and polypyridyl ligands. Dalton transactions (Cambridge, England : 2003) 39(24) (2010) 5664-5675
Space group: I b a 2
Cell volume: 5374.6
Cell parameters: 18.8069; 23.6319; 12.0928; 90; 90; 90;

COD ID: 7025860
CIF file	Formula: - C18 H12 N2 O2 - Comments: Crawford, Lynne A.; Ieva, Maria; McNab, Hamish; Parsons, Simon Structural studies of some push-pull N-arylbenzazoles. Dalton transactions (Cambridge, England : 2003) 39(30) (2010) 7147-7152 Space group: I b a 2 Cell volume: 2901 Cell parameters: 14.333; 25.751; 7.859; 90; 90; 90;

COD ID: 7027662

Formula: - C25 H41 Cl N6 Ni2 O4 S4 -
Comments: Bhattacharyya, Sudeep; Ghosh, Dipesh; Endo, Akira; Shimizu, Kunio; Weakley, Timothy J. R.; Chaudhury, Muktimoy Nickel(II)-induced activation of a carbon‒nitrogen single bond(s) of a co-ordinated ligand by hydroxylated substrates: generation of mono- and bi-nuclear complexes with modified ligand frameworks † Journal of the Chemical Society, Dalton Transactions (issue 21) (1999) 3859
Space group: I b a 2
Cell volume: 3392.1
Cell parameters: 18.732; 11.284; 16.048; 90; 90; 90;

COD ID: 7030267

Formula: - Al2 Sb18 Yb22 -
Comments: Kastbjerg, Sofie; Uvarov, Catherine A.; Kauzlarich, Susan M.; Chen, Yu-Sheng; Nishibori, Eiji; Spackman, Mark A.; Iversen, Bo Brummerstedt Crystal structure and chemical bonding of the intermetallic Zintl phase Yb11AlSb9. Dalton transactions (Cambridge, England : 2003) 41(34) (2012) 10347-10353
Space group: I b a 2
Cell volume: 2419.97
Cell parameters: 11.7383; 12.36; 16.6796; 90; 90; 90;

COD ID: 7030977
CIF file	Formula: - C42 H44 Mn N4 O6 - Comments: Feng, Jie; Du, Xin; Liu, Hui; Sui, Xin; Zhang, Chen; Tang, Yun; Zhang, Jingyan Manganese-mefenamic acid complexes exhibit high lipoxygenase inhibitory activity. Dalton transactions (Cambridge, England : 2003) 43(28) (2014) 10930-10939 Space group: I b a 2 Cell volume: 3859.1 Cell parameters: 7.4254; 29.56; 17.5819; 90; 90; 90;

COD ID: 7035675

Formula: - C H6 B11 F10 N O -
Comments: Konieczka, Szymon Z.; Drisch, Michael; Edkins, Katharina; Hailmann, Michael; Finze, Maik Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron. Dalton transactions (Cambridge, England : 2003) 44(45) (2015) 19576-19586
Space group: I b a 2
Cell volume: 2431.1
Cell parameters: 12.356; 20.211; 9.735; 90; 90; 90;

COD ID: 7039055
CIF file	Formula: - C32 H24 N4 O22 Sm2 Zn - Comments: Du, Pei-Yao; Gu, Wen; Liu, Xin Highly selective luminescence sensing of nitrite and benzaldehyde based on 3d-4f heterometallic metal-organic frameworks. Dalton transactions (Cambridge, England : 2003) 45(21) (2016) 8700-8704 Space group: I b a 2 Cell volume: 4248.3 Cell parameters: 13.39; 24.074; 13.179; 90; 90; 90;

COD ID: 7039056
CIF file	Formula: - C32 H24 N4 O22 Tb2 Zn - Comments: Du, Pei-Yao; Gu, Wen; Liu, Xin Highly selective luminescence sensing of nitrite and benzaldehyde based on 3d-4f heterometallic metal-organic frameworks. Dalton transactions (Cambridge, England : 2003) 45(21) (2016) 8700-8704 Space group: I b a 2 Cell volume: 4186.7 Cell parameters: 13.368; 23.922; 13.092; 90; 90; 90;

COD ID: 7043782
CIF file	Formula: - C19 H22 N O P - Comments: Geier, Stephen; LaFortune, James; Zhu, Diya; Kosnik, Stephanie C.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Steve The Phosphinoboration of Carbodiimides, Isocyanates, Isothiocyanates and CO2 Dalton Trans. (2017) Space group: I b a 2 Cell volume: 3466.4 Cell parameters: 10.6648; 34.271; 9.4843; 90; 90; 90;

COD ID: 7045346
CIF file	Formula: - C19 H27 Fe N Si - Comments: Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes Dalton Transactions (2018) Space group: I b a 2 Cell volume: 3366.61 Cell parameters: 13.6524; 27.8481; 8.855; 90; 90; 90;

COD ID: 7047942

Formula: - C18 H18 Cl F6 N4 P Zn -
Comments: de Arruda, Eduardo Guimarães Ratier; Rocha, Bruno Alves; Barrionuevo, Manoel Victor Frutuoso; Aðalsteinsson, Heiðar Már; Galdino, Flávia Elisa; Loh, Watson; Lima, Frederico Alves; Abbehausen, Camilla The influence of ZnII coordination sphere and chemical structure over the reactivity of metallo-β-lactamase model compounds. Dalton transactions (Cambridge, England : 2003) 48(9) (2019) 2900-2916
Space group: I b a 2
Cell volume: 4226.2
Cell parameters: 16.794; 17.209; 14.623; 90; 90; 90;

COD ID: 7052309

Formula: - C27 H30 N O2 P -
Comments: Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C. Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes New Journal of Chemistry 30(11) (2006) 1614
Space group: I b a 2
Cell volume: 4913.8
Cell parameters: 19.157; 25.897; 9.9046; 90; 90; 90;

COD ID: 7054492
CIF file	Formula: - C12 H14 O5 Pb - Comments: Bo, Qi-Bing; Pang, Juan-Juan; Wang, Hong-Yan; Fan, Chun-Hua; Zhang, Zhen-Wei In situ solvent and counteranion-induced synthesis, structural characterization and photoluminescence properties of Pb-based MOFs New J. Chem. 39(1) (2015) 431 Space group: I b a 2 Cell volume: 2553.5 Cell parameters: 16.2354; 19.1181; 8.2268; 90; 90; 90;

COD ID: 7055777
CIF file	Formula: - C19 H15 Cu N3 O3 - Comments: Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects New J. Chem. 40(11) (2016) 9263 Space group: I b a 2 Cell volume: 3364.7 Cell parameters: 38.0051; 12.0227; 7.3639; 90; 90; 90;

COD ID: 7057933

Formula: - C34 H28 N4 O5 -
Comments: Mandal, Jayanta; Ghorai, Pravat; Brandão, Paula; Pal, Kunal; Karmakar, Parimal; Saha, Amrita An aminoquinoline based biocompatible fluorescent and colourimetric pH sensor designed for cancer cell discrimination New Journal of Chemistry 42(24) (2018) 19818
Space group: I b a 2
Cell volume: 3127.9
Cell parameters: 16.631; 30.14; 6.24; 90; 90; 90;

COD ID: 7058047

Formula: - C28 H31 Cl F6 O P2 Ru -
Comments: Colina-Vegas, Legna; Lima Prado Godinho, Joseane; Coutinho, Thallita; Correa, Rodrigo S.; de Souza, Wanderley; Cola Fernandes Rodrigues, Juliany; Batista, Alzir Azevedo; Navarro, Maribel Antiparasitic activity and ultrastructural alterations provoked by organoruthenium complexes against Leishmania amazonensis New Journal of Chemistry 43(3) (2019) 1431
Space group: I b a 2
Cell volume: 6000.8
Cell parameters: 20.732; 16.101; 17.977; 90; 90; 90;

COD ID: 7058197
CIF file	Formula: - C22 H24 Ag Fe N6 O4 - Comments: Nemec, Ivan; Zoufalý, Pavel; Jewula, Pawel; Antal, Peter; Linert, Wolfgang; Herchel, Radovan Ion-pair complexes of Schiff base Fe(iii) cations and complex anions New Journal of Chemistry 43(12) (2019) 4937 Space group: I b a 2 Cell volume: 2365.8 Cell parameters: 12.8506; 12.7677; 14.4195; 90; 90; 90;

COD ID: 7059550

Formula: - C26 H34 N4 O2 Pb Se2 -
Comments: Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures New Journal of Chemistry 44(19) (2020) 7719-7726
Space group: I b a 2
Cell volume: 2747.7
Cell parameters: 20.7267; 13.0349; 10.1701; 90; 90; 90;

COD ID: 7059554

Formula: - C32 H44 Cl2 N4 O2 Pb Se2 -
Comments: Klauke, Karsten; Schmitz, Alexa; Swertz, Ann-Christin; Beele, Björn B.; Giesen, Beatriz; Schlüsener, Carsten; Janiak, Christoph; Mohr, Fabian Acylselenoureato bis(chelates) of lead: synthesis, structural characterization and microwave-assisted formation of PbSe nano- and microstructures New Journal of Chemistry 44(19) (2020) 7719-7726
Space group: I b a 2
Cell volume: 3553.4
Cell parameters: 17.9384; 19.0184; 10.4156; 90; 90; 90;

COD ID: 7060083

Formula: - C15 H14 Cl N O2 Pt S -
Comments: Shao, Tai-Ming; Wei, Zu-Zhuang; Luo, Xiao-Ling; Qin, Qi-Pin; Tan, Ming-Xiong; Zeng, Jia-Jing; Liang, Chun-Jie; Liang, Hong High cytotoxic and apoptotic effects of platinum(ii) complexes bearing the 4-acridinol ligand New Journal of Chemistry 44(45) (2020) 19885-19890
Space group: I b a 2
Cell volume: 6152.47
Cell parameters: 21.4385; 16.0457; 17.8853; 90; 90; 90;

COD ID: 7100514

Formula: - C12 H16 Er2 O20 -
Comments: Ian Williams; John A. Cha; Stephen S.-Y. Chui; Andy L.-F. Leung; Herman H. Y. Sung; Samadara Thushari; Yu-Fong Yen. Microporous chiral metal coordination polymers: hydrothermal synthesis, channel engineering and thermal stability of lanthanide tartrates Chemical Communications (2005)
Space group: I b a 2
Cell volume: 1810.4
Cell parameters: 12.3605; 14.081; 10.4021; 90; 90; 90;

COD ID: 7102377

Formula: - C44 H44 Cu4 F24 N12 P4 -
Comments: Maekawa, Masahiko; Konaka, Hisashi; Minematsu, Toshie; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu Bowl-shaped Cu(I) metallamacrocyclic ethylene and carbonyl adducts as structural analogues of organic calixarenes. Chemical communications (Cambridge, England) (issue 48) (2007) 5179-5181
Space group: I b a 2
Cell volume: 5829
Cell parameters: 14.6057; 28.37; 14.0685; 90; 90; 90;

COD ID: 7102645
CIF file	Formula: - C78.5 H86 B4 N8 O12 - Comments: N.Christinat; R.Scopelliti; K.Severin A new method for the synthesis of boronate macrocycles Chemical communications (Cambridge, England) (issue 10) (2004) 1158-1159 Space group: I b a 2 Cell volume: 14917.2 Cell parameters: 26.3143; 28.029; 20.2248; 90; 90; 90;

COD ID: 7102930

Formula: - C14 H26.25 Cl2 N4 O6.13 Pt -
Comments: Reithofer, Michael R; Galanski, Markus; Arion, Vladimir B; Keppler, Bernhard K Unprecedented twofold intramolecular hydroamination in diam(m)ine-dicarboxylatodichloridoplatinum(IV) complexes - ethane-1,2-diamine vs. ammine ligands. Chemical communications (Cambridge, England) (issue 9) (2008) 1091-1093
Space group: I b a 2
Cell volume: 4282.7
Cell parameters: 22.1412; 22.6423; 8.5427; 90; 90; 90;

COD ID: 7103107

Formula: - C180 H250 Cl8 N8 O13 Zr4 -
Comments: Cohen, Ad; Yeori, Adi; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe Construction of C1-symmetric zirconium complexes by the design of new Salan ligands. Coordination chemistry and preliminary polymerisation catalysis studies. Chemical communications (Cambridge, England) (issue 18) (2008) 2149-2151
Space group: I b a 2
Cell volume: 9089.5
Cell parameters: 28.4938; 17.8978; 17.8233; 90; 90; 90;

COD ID: 7108179

Formula: - C33 H39 N6 O3 -
Comments: Vladimir B. Arion; Anatolie Dobrov; Simone Goeschl; Michael A. Jakupec; Bernhard K. Keppler; Peter Rapta Ruthenium(II)- and osmium(II)-arene-based paullones bearing a TEMPO free-radical unit as potential anticancer drugs Chem.Commun. 48 (2012) 8559
Space group: I b a 2
Cell volume: 5900.4
Cell parameters: 17.778; 26.576; 12.4884; 90; 90; 90;

COD ID: 7108774
CIF file	Formula: - C22.66 H17.33 Cl3.33 Cu N4 O0 - Comments: Leigh Loots; Leonard J. Barbour An infinite catenane self-assembled by pi^...^pi interactions Chem.Commun. 49 (2013) 671 Space group: I b a 2 Cell volume: 4799.4 Cell parameters: 15.2832; 23.1589; 13.5599; 90; 90; 90;

COD ID: 7110120
CIF file	Formula: - C21 H16 N2 O - Comments: Shyamaprosad Goswami; Abhishek Manna; Sima Paul; Ching Kheng Quah; Hoong-Kun Fun Rapid and ratiometric detection of hypochlorite with real application in tap water: molecules to low cost devices (TLC sticks) Chem.Commun. 49 (2013) 11656 Space group: I b a 2 Cell volume: 3117.5 Cell parameters: 13.9108; 25.429; 8.8131; 90; 90; 90;

COD ID: 7110601
CIF file	Formula: - C12 H20 Au4 N8 S4 - Comments: Jones, Peter G.; Friedrichs, Steffi Deprotonated ethylenethiourea as a ligand in an unusual tetrameric gold(I) complex† Chemical Communications (issue 15) (1999) 1365 Space group: I b a 2 Cell volume: 2218.9 Cell parameters: 16.1973; 10.3143; 13.2818; 90; 90; 90;

COD ID: 7111760
CIF file	Formula: - C20 H16 N2 O2 - Comments: Ye, Shengqing; Yang, Xiaodi; Wu, Jie Silver triflate-catalyzed three-component reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, and α,β-unsaturated carbonyl compound Chemical Communications 46(29) (2010) 5238-5240 Space group: I b a 2 Cell volume: 3253.9 Cell parameters: 18.132; 24.803; 7.2352; 90; 90; 90;

COD ID: 7114725
CIF file	Formula: - C33 H56 Cl2 N6 Ni2 O5 S2 - Comments: Kersting, Berthold; Steinfeld, Gunther The effect of N-methylation on the chemical reactivity of binuclear Ni amine-thiophenolate complexes Chemical Communications (issue 15) (2001) 1376 Space group: I b a 2 Cell volume: 8057 Cell parameters: 23.941; 26.974; 12.477; 90; 90; 90;

COD ID: 7115390

Formula: - C19 H14 N2 O3 -
Comments: Fang-Le Hu; Yin Wei; Min Shi Phosphine-catalyzed asymmetric [4+1] annulation of activated alpha,beta-unsaturated ketones with Morita-Baylis-Hillman carbonates: enantioselective synthesis of spirooxindoles containing two adjacent quaternary stereocenters Chem.Commun. 50 (2014) 8912
Space group: I b a 2
Cell volume: 3222.9
Cell parameters: 16.678; 25.506; 7.5764; 90; 90; 90;

COD ID: 7119924

Formula: - C12 H32 Br4 Mn N2 -
Comments: Jiang, Chunli; Zhong, Ni; Luo, Chunhua; Lin, Hechun; Zhang, Yuanyuan; Peng, Hui; Duan, Chun-Gang (Diisopropylammonium)2MnBr4: A Multifunctional Ferroelectric with Efficient Green-emission and Excellent Gas Sensing Property Chem. Commun. (2017)
Space group: I b a 2
Cell volume: 4630.1
Cell parameters: 14.5214; 26.532; 12.0175; 90; 90; 90;

COD ID: 7120732
CIF file	Formula: - C110 H115 N11 Zn2 - Comments: Song, JX; zhang, senmiao; Kim, Jun Oh; Li, Yajie; Wen, Bin; Zhou, Mingbo; Liu, Shubin; Aratani, Naoki; Xu, Ling; Kim, Dongho Meso-to-meso 2,5-Pyrrolylene Bridged Zig-zag Porphyrin Arrays Chem. Commun. (2017) Space group: I b a 2 Cell volume: 27561 Cell parameters: 24.0135; 27.685; 41.457; 90; 90; 90;

COD ID: 7120872

Formula: - C23 H23 N -
Comments: LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W. Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication Chemical Communications (2017)
Space group: I b a 2
Cell volume: 3583
Cell parameters: 18.82; 25.412; 7.492; 90; 90; 90;

COD ID: 7120873

Formula: - C23 H22 Br N -
Comments: LaFortune, James H. W.; Bayne, Julia M.; Johnstone, Timothy C.; Fan, Louie; Stephan, Douglas W. Catalytic double hydroarylation of alkynes to 9,9-disubstituted 9,10-dihydroacridine derivatives by an electrophilic phenoxyphosphonium dication Chemical Communications (2017)
Space group: I b a 2
Cell volume: 3906
Cell parameters: 20.53; 25.541; 7.45; 90; 90; 90;

COD ID: 7124451

Formula: - C16 H12 F2 O -
Comments: Fang, Zeguo; Gillatt, Roscoe; Slawin, Alexandra; Cordes, David Bradford; Carpenter-Warren, Cameron L.; O'Hagan, David Unexpected a,a’-difluoroethers from Ag(I)F and N-bromosuccinimide reactions of dibenzo[a,e]cyclooctatetraene Chemical Communications (2019)
Space group: I b a 2
Cell volume: 2364.11
Cell parameters: 14.2552; 22.1202; 7.4973; 90; 90; 90;

COD ID: 7124998

Formula: - C9 H20 B N O2 -
Comments: Romero, Erik A.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy Catalyst-free dehydrocoupling of amines, alcohols, and thiols with pinacol borane and 9-borabicyclononane (9-BBN). Chemical communications (Cambridge, England) 52(69) (2016) 10563-10565
Space group: I b a 2
Cell volume: 2227
Cell parameters: 10.1195; 29.385; 7.4892; 90; 90; 90;

COD ID: 7125370

Formula: - C56 H96 N4 O20 P4 S4 Zn4 -
Comments: Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy Hitherto unknown eight-connected frameworks formed from A4B4O12 metal organophosphate heterocubanes. Chemical communications (Cambridge, England) 55(55) (2019) 7994-7997
Space group: I b a 2
Cell volume: 9085
Cell parameters: 21.231; 21.328; 20.064; 90; 90; 90;

COD ID: 7125541

Formula: - C17 H27 Ag N5 O5 S3 -
Comments: Love, Jason B.; Vere, Joanna M.; Glenny, Mark W.; Blake, Alexander J.; Schröder, Martin Ditopic azathioether macrocycles as hosts for transition metal saltsElectronic supplementary information (ESI) available: full experimental details. See http://www.rsc.org/suppdata/cc/b1/b109486f/ Chemical Communications (issue 24) (2001) 2678
Space group: I b a 2
Cell volume: 4992
Cell parameters: 34.987; 8.892; 16.046; 90; 90; 90;

COD ID: 7126203

Formula: - C39 H24 Cl4 N2 O -
Comments: Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect. Chemical communications (Cambridge, England) 56(32) (2020) 4408-4411
Space group: I b a 2
Cell volume: 6714
Cell parameters: 38.6912; 13.8512; 12.528; 90; 90; 90;

COD ID: 7126667

Formula: - C13 H14.5 N3.5 O4 S -
Comments: Mishra, Debashish; Borah, Arun Jyoti; Phukan, Pinakinee; Hazarika, Debojit; Phukan, Prodeep Unprecedented 1,3-tert-butyl migration via the C-N single bond scission of isonitrile: an expedient metal-free route to N-sulfonyl amidines. Chemical communications (Cambridge, England) 56(60) (2020) 8408-8411
Space group: I b a 2
Cell volume: 3183.2
Cell parameters: 29.306; 9.4752; 11.4635; 90; 90; 90;

COD ID: 7127984

Formula: - C72 H102 Ni P2 -
Comments: Martín, M Trinidad; Marín, Mario; Rama, Raquel J.; Álvarez, Eleuterio; Maya, Celia; Molina, Francisco; Nicasio, M. Carmen Zero-valent ML2 complexes of group 10 metals supported by terphenyl phosphanes. Chemical communications (Cambridge, England) 57(25) (2021) 3083-3086
Space group: I b a 2
Cell volume: 7289.8
Cell parameters: 23.3099; 16.9037; 18.5008; 90; 90; 90;

COD ID: 7128173

Formula: - C44 H33 Cl2 F3 Fe2 O9 P2 S2 -
Comments: Zhang, Fanjun; Woods, Toby J.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe CO substitution by PPh3 in Fe2S2(CO)6 proceeds via a novel Fe2S intermediate. Chemical communications (Cambridge, England) 57(41) (2021) 5079-5081
Space group: I b a 2
Cell volume: 5025.5
Cell parameters: 17.9842; 18.0922; 15.4453; 90; 90; 90;

COD ID: 7129356
CIF file	Formula: - C73 H104 B2 Cl2 N4 Si4 Sn2 - Comments: Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P. Borole-based half-sandwich complexes of germanium and tin Chemical Communications (2021) Space group: I b a 2 Cell volume: 15663 Cell parameters: 25.802; 25.796; 23.532; 90; 90; 90;

COD ID: 7130719
CIF file	Formula: - C42.5 H38.5 N2 O16 Sm2 - Comments: Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks Chemical Communications (2022) Space group: I b a 2 Cell volume: 9126.7 Cell parameters: 47.172; 17.2138; 11.2397; 90; 90; 90;

COD ID: 7130720
CIF file	Formula: - C42.5 H38.5 Gd2 N2 O16 - Comments: Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks Chemical Communications (2022) Space group: I b a 2 Cell volume: 9361.6 Cell parameters: 47.592; 17.2469; 11.4052; 90; 90; 90;

COD ID: 7130721
CIF file	Formula: - C42.5 H38.5 Eu2 N2 O16 - Comments: Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks Chemical Communications (2022) Space group: I b a 2 Cell volume: 9272.83 Cell parameters: 47.3677; 17.2952; 11.3189; 90; 90; 90;

COD ID: 7130722
CIF file	Formula: - C42.5 H38.5 N2 O16 Y2 - Comments: Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks Chemical Communications (2022) Space group: I b a 2 Cell volume: 9222 Cell parameters: 17.0356; 47.4052; 11.4193; 90; 90; 90;

COD ID: 7130723
CIF file	Formula: - C42.5 H38.5 Dy2 N2 O16 - Comments: Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks Chemical Communications (2022) Space group: I b a 2 Cell volume: 9477.11 Cell parameters: 17.2624; 47.8338; 11.4773; 90; 90; 90;

COD ID: 7130724
CIF file	Formula: - C42.5 H38.5 Er2 N2 O16 - Comments: Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks Chemical Communications (2022) Space group: I b a 2 Cell volume: 9188.4 Cell parameters: 47.3291; 16.9949; 11.4233; 90; 90; 90;

COD ID: 7130725
CIF file	Formula: - C42.5 H38.5 Ho2 N2 O16 - Comments: Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks Chemical Communications (2022) Space group: I b a 2 Cell volume: 9120.23 Cell parameters: 17.0266; 47.1777; 11.3538; 90; 90; 90;

COD ID: 7130726
CIF file	Formula: - C42.5 H38.5 N2 O16 Tb2 - Comments: Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks Chemical Communications (2022) Space group: I b a 2 Cell volume: 9206.6 Cell parameters: 47.3077; 17.1468; 11.3497; 90; 90; 90;

COD ID: 7130842

Formula: - C22 H15 N3 O2 -
Comments: Chen, Zhicai; Zhang, Yu; Wang, Pu; Yang, Jiaxin; Yang, Kun; Li, Jianfeng; Yang, Jie; Li, Yongchun; Dong, Huanli; Guo, Xugang A Class of Electron-Deficient Units: Fluorenone Imide and Its Electron-Withdrawing Group-Functionalized Derivatives Chemical Communications (2022)
Space group: I b a 2
Cell volume: 3459.7
Cell parameters: 10.224; 43.467; 7.785; 90; 90; 90;

COD ID: 7132560

Formula: - C14 H14 Cd O2 S2 -
Comments: Nishibe, Asuka; Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Tsuruoka, Takaaki; Tanaka, Daisuke Engineering of CdS-chain arrays assembled through S⋯S interactions in 1D semiconductive coordination polymers. Chemical communications (Cambridge, England) 60(10) (2024) 1277-1280
Space group: I b a 2
Cell volume: 4335.2
Cell parameters: 35.4228; 16.8199; 7.2761; 90; 90; 90;

COD ID: 7151912

Formula: - C12 H14 B F4 N3 O -
Comments: Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D. Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis. Organic & biomolecular chemistry 9(11) (2011) 4205-4218
Space group: I b a 2
Cell volume: 2703.6
Cell parameters: 10.628; 34.498; 7.374; 90; 90; 90;

COD ID: 7153392

Formula: - C50 H40 F6 -
Comments: Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J. Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene. Organic & biomolecular chemistry 8(17) (2010) 3997-4010
Space group: I b a 2
Cell volume: 3897
Cell parameters: 10.154; 16.592; 23.131; 90; 90; 90;

COD ID: 7156662

Formula: - C17 H20 O7 -
Comments: Salendra, Limbadri; Luo, Xiaowei; Lin, Xiuping; Wang, Junfeng; Yang, Bin; Zhou, Xuefeng; Liu, Yonghong Versispiroketal A, an unusual tetracyclic bridged spiroketal from the sponge-associated fungus Aspergillus versicolor SCSIO 41013. Organic & biomolecular chemistry 17(8) (2019) 2182-2186
Space group: I b a 2
Cell volume: 3193.25
Cell parameters: 25.1245; 17.8586; 7.11686; 90; 90; 90;

COD ID: 7157586

Formula: - C19 H23 Cl O5 -
Comments: Weber, Carina; Vierengel, Nina; Walter, Thorsten; Behrendt, Torsten; Lucas, Tobias; Erkel, Gerhard; Opatz, Till Total synthesis and biological evaluation of seven new anti-inflammatory oxacyclododecindione-type macrolactones. Organic & biomolecular chemistry 18(30) (2020) 5906-5917
Space group: I b a 2
Cell volume: 3431
Cell parameters: 11.1913; 36.617; 8.3725; 90; 90; 90;

COD ID: 7202637
CIF file	Formula: - C35 H54 N2 O4 - Comments: Jiménez, Claudio A.; Belmar, Julio B.; Delgado, Fernando S.; Julve, Miguel; Ruiz-Pérez, Catalina Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides CrystEngComm 9(9) (2007) 746 Space group: I b a 2 Cell volume: 7015 Cell parameters: 23.029; 25.201; 12.087; 90; 90; 90;

COD ID: 7204460

Formula: - C14 H13 N O -
Comments: Huck, Deborah M.; Loc Nguyen, H.; Coles, Simon J.; Hursthouse, Michael B.; Donnio, Bertrand; Bruce, Duncan W. Mesomorphic silver(i) complexes of 4-alkyloxy-2???-stilbazoles and 4-alkyloxy-3???-stilbazoles. Crystal and molecular structure of 4-methoxy-2???-stilbazoleElectronic supplementary information (ESI) available: bond lengths and angles for 4-methoxy-2???-stilbazole. See http://www.rsc.org/suppdata/jm/b2/b204820e/ Journal of Materials Chemistry 12(10) (2002) 2879
Space group: I b a 2
Cell volume: 2236.4
Cell parameters: 9.2463; 33.461; 7.2285; 90; 90; 90;

COD ID: 7206226
CIF file	Formula: - C5 H5 Cl2 N3 - Comments: Pilati, Tullio; Cozzi, Franco Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers CrystEngComm 13(14) (2011) 4549 Space group: I b a 2 Cell volume: 1330.5 Cell parameters: 11.5523; 23.163; 4.9721; 90; 90; 90;

COD ID: 7206320
CIF file	Formula: - C8 H26 Eu N6 S3 Sb - Comments: Zhou, Jian; Yin, Xian-Hong; Zhang, Feng Solvothermal synthesis and characterization of two novel europium thioantimonates(iii) containing [SbIIIS3] unit as an unusual chelating ligand CrystEngComm 13(15) (2011) 4806 Space group: I b a 2 Cell volume: 3613 Cell parameters: 30.125; 9.449; 12.692; 90; 90; 90;

COD ID: 7206974
CIF file	Formula: - C28 H25 N3 Ni O5 - Comments: Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule CrystEngComm 14(3) (2012) 951 Space group: I b a 2 Cell volume: 5311 Cell parameters: 28.262; 9.1619; 20.511; 90; 90; 90;

COD ID: 7208729

Formula: - C64 H64 N10 Ni O10 -
Comments: Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs CrystEngComm 14(20) (2012) 6492
Space group: I b a 2
Cell volume: 6020.4
Cell parameters: 11.4752; 22.951; 22.8593; 90; 90; 90;

COD ID: 7209483
CIF file	Formula: - B5 Cu Lu O10 - Comments: Schaefer, J.; Bluhm, K. Synthese und Kristallstruktur von Verbindungen des Typs Cu M (B5 O10) (M= Tm3+, Lu3+) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 50 (1995) 762-766 Space group: I b a 2 Cell volume: 659.505 Cell parameters: 6.184; 8.458; 12.609; 90; 90; 90;

COD ID: 7209484
CIF file	Formula: - B5 Cu O10 Tm - Comments: Schaefer, J.; Bluhm, K. Synthese und Kristallstruktur von Verbindungen des Typs Cu M (B5 O10) (M= Tm3+, Lu3+) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 50 (1995) 762-766 Space group: I b a 2 Cell volume: 665.161 Cell parameters: 6.22; 8.447; 12.66; 90; 90; 90;

COD ID: 7211631

Formula: - C66 H68 Co3 N12 O22 -
Comments: Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups CrystEngComm 12(1) (2010) 70
Space group: I b a 2
Cell volume: 7164.3
Cell parameters: 33.993; 13.6318; 15.4608; 90; 90; 90;

COD ID: 7215224

Formula: - C12 H18 O3 -
Comments: Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A. Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family CrystEngComm 16(29) (2014) 6716
Space group: I b a 2
Cell volume: 2340.7
Cell parameters: 15.383; 20.014; 7.6027; 90; 90; 90;

COD ID: 7216348
CIF file	Formula: - C14 H8 Ag3 O6 P - Comments: Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio CrystEngComm 16(25) (2014) 5627 Space group: I b a 2 Cell volume: 2863.9 Cell parameters: 18.151; 26.476; 5.9595; 90; 90; 90;

COD ID: 7217216
CIF file	Formula: - C30 H18 - Comments: Nagarajan, Kalaivanan; Rajagopal, Shinaj K.; Hariharan, Mahesh C‒H⋯H‒C and C‒H⋯π contacts aid transformation of dimeric to monomeric anthracene in the solid state CrystEngComm 16(38) (2014) 8946 Space group: I b a 2 Cell volume: 4028 Cell parameters: 17.06; 29.727; 7.9426; 90; 90; 90;

COD ID: 7218586

Formula: - C67 H55 Cl N3 Ni O3 P3 Ru S -
Comments: Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Natarajan, K. Photophysical properties and in vitro cytotoxicity studies of new Ru(ii) carbonyl complexes and mixed geometrical Ru(ii)‒Ni(ii) complex in HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells RSC Adv. 4(94) (2014) 51850
Space group: I b a 2
Cell volume: 12503.8
Cell parameters: 22.4615; 22.8701; 24.3408; 90; 90; 90;

COD ID: 7226544
CIF file	Formula: - C14 H14 Mn N4 O4 - Comments: Jiang, Peng; Peng, Fen; Chen, Yanmei Temperature-induced single-crystal-to-single-crystal transformation of a binuclear Mn(II) complex into a 1D chain polymer RSC Adv. (2016) Space group: I b a 2 Cell volume: 1466.9 Cell parameters: 12.6392; 17.209; 6.7442; 90; 90; 90;

COD ID: 7230725
CIF file	Formula: - C16 H14 Cl2 I2 N2 - Comments: González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials CrystEngComm 20(23) (2018) 3167 Space group: I b a 2 Cell volume: 3526.5 Cell parameters: 17.8602; 17.9174; 11.0199; 90; 90; 90;

COD ID: 7232089
CIF file	Formula: - C17 H12 O2 - Comments: Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm 21(6) (2019) 1009 Space group: I b a 2 Cell volume: 2465.88 Cell parameters: 17.3065; 17.6303; 8.0817; 90; 90; 90;

COD ID: 7232792

Formula: - C15 H11 I N2 O -
Comments: Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups CrystEngComm 21(22) (2019) 3385
Space group: I b a 2
Cell volume: 2728.11
Cell parameters: 15.8947; 21.2266; 8.0859; 90; 90; 90;

COD ID: 7233820
CIF file	Formula: - C43 H56 N2 O5 - Comments: Rekha Narayan; Prashant Kumar; K. S. Narayan; S. K. Asha Supramolecular P4VP-pentadecylphenol naphthalenebisimide comb-polymer: mesoscopic organization and charge transport properties Journal of Materials Chemistry C 2 (2014) 6511-6519 Space group: I b a 2 Cell volume: 8592 Cell parameters: 20.076; 49.223; 8.695; 90; 90; 90;

COD ID: 7233834

Formula: - C18 H8 F6 N2 O2 -
Comments: I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics Journal of Materials Chemistry C 2 (2014) 7621-7631
Space group: I b a 2
Cell volume: 3090.6
Cell parameters: 28.211; 8.6741; 12.6299; 90; 90; 90;

COD ID: 7234458
CIF file	Formula: - Ag As8 Ba4 Ga5 - Comments: Ming-yan Pan; Zu-ju Ma; Xiao-cun Liu; Sheng-qing Xia; Xu-tang Tao; Ke-chen Wu Ba4AgGa5Pn8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential Journal of Materials Chemistry C 3 (2015) 9695-9700 Space group: I b a 2 Cell volume: 938.79 Cell parameters: 7.4769; 18.5766; 6.759; 90; 90; 90;

COD ID: 7234459
CIF file	Formula: - Ag Ba4 Ga5 P8 - Comments: Ming-yan Pan; Zu-ju Ma; Xiao-cun Liu; Sheng-qing Xia; Xu-tang Tao; Ke-chen Wu Ba4AgGa5Pn8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential Journal of Materials Chemistry C 3 (2015) 9695-9700 Space group: I b a 2 Cell volume: 862.3 Cell parameters: 7.294; 18.03; 6.557; 90; 90; 90;

COD ID: 7234612
CIF file	Formula: - C23 H31 N9 - Comments: Chahal, Manoj; Raje, Sakthi; Kotana, Gopichand; Angamuthu, Raja Binding Enabled Catalytic Activation of SO2 by Copper Koneramine Complexes at Ambient Conditions Green Chemistry (2019) Space group: I b a 2 Cell volume: 4524.4 Cell parameters: 21.678; 11.7948; 17.695; 90; 90; 90;

COD ID: 7236893
CIF file	Formula: - C46 H52 Si4 - Comments: Ramachandran, Elumalai; Dhamodharan, Raghavachari Tetrakis(trialkylsilylethynylphenyl)ethenes: mechanofluorochromism arising from steric considerations with an unusual crystal structure J. Mater. Chem. C 5(40) (2017) 10469 Space group: I b a 2 Cell volume: 4688.4 Cell parameters: 15.856; 28.435; 10.3986; 90; 90; 90;

COD ID: 7237928

Formula: - C19 H12 N2 -
Comments: Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence Journal of Materials Chemistry C 7(31) (2019) 9671
Space group: I b a 2
Cell volume: 2913.7
Cell parameters: 14.7314; 24.585; 8.0451; 90; 90; 90;

COD ID: 7239283

Formula: - C14 H14 Cd N4 O4 -
Comments: Chen, Yanmei; Gao, Qian; Liu, Yonglu; Cao, Yanyuan; Gao, Dandan; Liu, Jinna; Zhao, Jingjing; Li, Yahong; Liu, Wei; Li, Wu Synthesis, crystal structures and luminescent properties of CdIIand ZnIIcomplexes assembled by 4-aminophenylhydroxamic acid RSC Adv. 4(1) (2014) 147
Space group: I b a 2
Cell volume: 1483.9
Cell parameters: 12.121; 17.543; 6.9785; 90; 90; 90;

COD ID: 7239338
CIF file	Formula: - C14 H14 I2 O4 S2 Si - Comments: Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization RSC Advances 4(16) (2014) 8011 Space group: I b a 2 Cell volume: 3883 Cell parameters: 16.903; 28.697; 8.005; 90; 90; 90;

COD ID: 7240261

Formula: - C11 H11 F0.5 N2 -
Comments: Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage RSC Advances 10(23) (2020) 13815-13819
Space group: I b a 2
Cell volume: 1966.2
Cell parameters: 9.8331; 20.335; 9.8331; 90; 90; 90;

COD ID: 7241688

Formula: - C26 H24 -
Comments: Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters RSC Advances 10(65) (2020) 39366-39372
Space group: I b a 2
Cell volume: 3771.6
Cell parameters: 22.059; 22.2927; 7.6696; 90; 90; 90;

COD ID: 7242715

Formula: - C52 H36 N2 -
Comments: Sukegawa, Yoshihito; Sato, Kaito; Fujiwara, Wataru; Katagiri, Hiroshi; Yokoyama, Daisuke Effect of the conformer distribution on the properties of amorphous organic semiconductor films for organic light-emitting diodes Physical Chemistry Chemical Physics (2021)
Space group: I b a 2
Cell volume: 3581.5
Cell parameters: 18.0128; 27.5447; 7.2185; 90; 90; 90;

COD ID: 7247761

Formula: - C15 H10 Cl F2 N3 O S -
Comments: Al-Wahaibi, Lamya H.; Alagappan, Kowsalya; Gomila, Rosa M.; Blacque, Olivier; Frontera, Antonio; Percino, M. Judith; El-Emam, Ali A.; Thamotharan, Subbiah A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking RSC Advances 13(48) (2023) 34064-34077
Space group: I b a 2
Cell volume: 3102.44
Cell parameters: 28.8781; 13.8936; 7.7325; 90; 90; 90;

COD ID: 7701935

Formula: - C10 H8 Br O S2 Tl -
Comments: Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes. Dalton transactions (Cambridge, England : 2003) 47(45) (2018) 16264-16278
Space group: I b a 2
Cell volume: 2418.9
Cell parameters: 31.252; 11.1332; 6.9522; 90; 90; 90;

COD ID: 7701936

Formula: - C9 H8 N O S2 Tl -
Comments: Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes. Dalton transactions (Cambridge, England : 2003) 47(45) (2018) 16264-16278
Space group: I b a 2
Cell volume: 2133.9
Cell parameters: 10.968; 27.114; 7.1755; 90; 90; 90;

COD ID: 7705445

Formula: - C36 H43 Mo12 N4 O46 P Zn4 -
Comments: Liu, Xiao-Mei; Meng, Fan-Qiong; Cheng, Wei-Wei; Cao, Jia-Peng; Wang, Ji-Lei; Zang, Ting-Ting; Ping, Qing-Dong; Xie, Hui; Xu, Yan Two new isolated Zn-ε-Keggin clusters modified by conjugated organic ligands with decent electrocatalytic and third-order NLO properties. Dalton transactions (Cambridge, England : 2003) 49(40) (2020) 14251-14257
Space group: I b a 2
Cell volume: 7114
Cell parameters: 16.515; 16.827; 25.6; 90; 90; 90;

COD ID: 7707707

Formula: - H8 Na8 O36 P8 V4 -
Comments: Lepoittevin, C.; Leynaud, O.; Neveu, A.; Barbier, T.; Gnanavel, M.; Gopal, V.; Pralong, V. Na2VO(HPO4)2: an original phase solved by continuous 3D electron diffraction and powder X-ray diffraction. Dalton transactions (Cambridge, England : 2003) 50(28) (2021) 9725-9734
Space group: I b a 2
Cell volume: 1430.79
Cell parameters: 13.86852; 13.7985; 7.47677; 90; 90; 90;

COD ID: 7708007
CIF file	Formula: - C17 H22 Cu N2 O4 - Comments: Devonport, Jack; Spencer, John; Kostakis, George E. Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones. Dalton transactions (Cambridge, England : 2003) 50(35) (2021) 12069-12073 Space group: I b a 2 Cell volume: 3209.77 Cell parameters: 25.4875; 14.8482; 8.4815; 90; 90; 90;

COD ID: 7709178
CIF file	Formula: - C66 H92 Cl Ga2 N4 O P - Comments: Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL. Dalton transactions (Cambridge, England : 2003) 51(4) (2022) 1612-1616 Space group: I b a 2 Cell volume: 13633 Cell parameters: 21.415; 39.087; 16.2869; 90; 90; 90;

COD ID: 7709806
CIF file	Formula: - C78 H96 Cu3 F30 N12 Sb4 Si7 - Comments: Kim, Doheon; Gwak, Geonwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang Structural properties of [Cu(II)3L6] cages: bridged polyatomic anion effects on unprecedented efficiency of heterogeneous catechol oxidation Dalton Transactions (2022) Space group: I b a 2 Cell volume: 21608 Cell parameters: 23.392; 37.04; 24.939; 90; 90; 90;

COD ID: 7712036

Formula: - C66 H34 Dy2 F18 N4 O12 -
Comments: Tang, Jiamin; Zhang, Sheng; Li, Linzhou; Yao, Linbin; Zhang, Ronghu; Yin, Bing; Zhang, Jiangwei Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy2 supramolecular architectures constructed with the bis-β-diketonate-Dy2 building block as a metalloligand. Dalton transactions (Cambridge, England : 2003) 52(5) (2023) 1366-1377
Space group: I b a 2
Cell volume: 7020.9
Cell parameters: 17.5572; 18.9503; 21.1019; 90; 90; 90;

COD ID: 7712985
CIF file	Formula: - C20 H16 Co2 N8 O4 - Comments: Lin, Yilong; Zeng , Panyu; Wang , Die; Li, Tian-Tian; Wu, Liang-Hua; Zheng, Sheng-Run A mixed-ligand Co(II) MOF synthesized from a single organic ligand to capture iodine and methyl iodide vapour Dalton Transactions (2023) Space group: I b a 2 Cell volume: 5668 Cell parameters: 25.418; 32.433; 6.875; 90; 90; 90;

COD ID: 7716035

Formula: - C566 H728 Cl24 Cu12 N56 O96 Si24 -
Comments: An, Seonghyeon; Han, Jihun; Kim, Dongwon; Lee, Haeri; Jung, Ok-Sang Coordinating nature of M6L12 double-stranded macrocycles: co-ligand competition of perchlorate, water, and acetonitrile depending on metal(II) ions. Dalton transactions (Cambridge, England : 2003) 53(23) (2024) 9692-9699
Space group: I b a 2
Cell volume: 73629
Cell parameters: 35.019; 45.42; 46.291; 90; 90; 90;

COD ID: 8100995
CIF file	Formula: - C7 H9 B O2 - Comments: Zheng, Chong; Spielvogel, Bernard F.; Hosmane, Narayan S. Crystal structure of 4-methylphenylboronic acid, C~7~H~9~BO~2~ Zeitschrift für Kristallographie - New Crystal Structures 216(3) (2001) 341-342 Space group: I b a 2 Cell volume: 3170 Cell parameters: 17.016; 19.164; 9.722; 90; 90; 90;

COD ID: 8101945

Formula: - C8 H12 N6 S2 -
Comments: Mazur, L.; Koziol, A. E.; Maliszewska-Guz, A.; Wujec, M.; Pitucha, M.; Dobosz, M. Crystal structure of 4-ethyl-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl] methyl}-4H-1,2,4-triazole-3(2H)-thione, C~8~H~12~N~6~S~2~, the orthorhombic modification Zeitschrift für Kristallographie - New Crystal Structures 221(2) (2006) 151-152
Space group: I b a 2
Cell volume: 2437.8
Cell parameters: 21.802; 8.821; 12.676; 90; 90; 90;

COD ID: 8102581