Crystallography Open Database

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4344469 CIFC2 H8 Cl2 Mn N4 O2I b a 29.163; 12.5772; 7.3398
90; 90; 90
845.87Manson, 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, 2015, 54, 11897-11905
4346344 CIFC30 H22 N20 Ni O20I b a 222.648; 19.359; 21.505
90; 90; 90
9429Myers, 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, 2015, 54, 8077-8086
4346689 CIFC H8 B NI b a 29.8; 13.708; 5.1576
90; 90; 90
692.9Stubbs, 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, 2015, 54, 10878-10889
4348200 CIFC8 H22 N12 O6 S4 ZnI b a 218.721; 10.223; 12.798
90; 90; 90
2449.3Vaidya, 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, 2016, 55, 9564-9578
4501771 CIFC20 H14 O2I b a 215.7042; 21.6248; 8.6312
90; 90; 90
2931.2Lee, 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, 2010, 10, 3547
4502744 CIFC78 H76 N6 Ni2 O17I b a 213.983; 29.496; 34.577
90; 90; 90
14261Wang, 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, 2012, 12, 79
4503259 CIFC34 H44 Cu N10 O6 S2I b a 237.709; 12.302; 16.303
90; 90; 90
7562.9Zhang, 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, 2008, 8, 1250
4503691 CIFC36 H54 N24 O12 Zn6I b a 214.966; 75.384; 9.813
90; 90; 90
11071Lin, 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, 2008, 8, 3673
4503692 CIFC13 H20 N8 O4 Zn2I b a 215.962; 24.972; 9.655
90; 90; 90
3848.5Lin, 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, 2008, 8, 3673
4503693 CIFC14 H22 N8 O4 Zn2I b a 218.203; 23.242; 9.606
90; 90; 90
4064Lin, 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, 2008, 8, 3673
4507209 CIFC10 H15 N O3I b a 29.795; 26.905; 7.989
90; 90; 90
2105.4Crisan, 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, 2013, 13, 143
4507847 CIFC4 H4 O4 Pb SI b a 219.2945; 9.0591; 7.5483
90; 90; 90
1319.37Gabriel, 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, 2013, 13, 2573
4512270 CIFC24 H58 Cu7 O54I b a 219.26; 21.0541; 12.845
90; 90; 90
5208.67Clegg, William; Holcroft, James M.
Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?
Crystal Growth & Design, 2014, 14, 6282
4512961 CIFC56 H56 N4 O8I b a 226.9942; 18.3383; 19.1907
90; 90; 90
9499.9Patil, 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, 2015, 15, 2781
4514360 CIFC52 H44 Br2 Cl8 N2 NiI b a 224.752; 10.97; 22.093
90; 90; 90
5999Pei, 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, 2018, 8, 1104
4515832 CIFC13 H11 N3 OI b a 214.7666; 20.376; 7.0357
90; 90; 90
2116.9Schmitt, 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, 2018, 20, 256-260
4519280 CIFCd2 Cs2 Ga8 S15I b a 211.8574; 12.9781; 17.527
90; 90; 90
2697.2Yang, 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: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.
ACS applied materials & interfaces, 2022, 14, 4352-4359
7000141 CIFC4 H6 Cu N3I b a 28.0423; 11.531; 17.3505
90; 90; 90
1609Zhang, 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), 2005, 3681-3685
7001952 CIFC42 H66 Ag4 I4 N4 O2 P2I b a 217.0929; 17.4818; 35.3573
90; 90; 90
10565.3Raynal, 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, 2009, 7288
7002262 CIFC35.5 H54.5 Cl7.5 Co2 N4 O3I b a 216.3211; 17.7522; 31.585
90; 90; 90
9151.3Sachse, Anna; Demeshko, Serhiy; Meyer, Franc
Structural and magnetic variability of cobalt(II) complexes with bridging pyrazolate ligands bearing appended imine groups
Dalton Transactions, 2009, 7756-7764
7004568 CIFC14 H7 Mn N3 O8I b a 218.3259; 25.3; 7.524
90; 90; 90
3488.5Li, Wei; Jia, Hong-Peng; Ju, Zhan-Feng; Zhang, Jie
A series of manganese‒carboxylate coordination polymers exhibiting diverse magnetic properties
Dalton Transactions, 2008, 5350-5357
7005408 CIFC8 H26 As N6 Nd Se4I b a 216.542; 26.674; 8.788
90; 90; 90
3877.6Jia, 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), 2007, 2083-2086
7007391 CIFC27 H54 F12 N6 Ni2 O3 P2I b a 215.977; 16.6924; 15.8375
90; 90; 90
4223.8Lozano, 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), 2006, 3906-3911
7009856 CIFC48 H36 N6 Ni O8I b a 29.905; 18.973; 23.009
90; 90; 90
4324Biradha, Kumar; Fujita, Makoto
Co-ordination polymers containing square grids of dimension 15 × 15 Å †
Journal of the Chemical Society, Dalton Transactions, 2000, 3805
7010246 CIFC45 H51 Mo N3 O4I b a 225.283; 14.986; 21.337
90; 90; 90
8084Baker, 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, 2000, 4607
7012890 CIFC15 H30 B3 N3 Si3I b a 216.739; 23.863; 12.345
90; 90; 90
4931.1Jörg Haberecht; Anja Krummland; Frank Breher; Björn Gebhardt; Heinz Rüegger; Reinhard Nesper; Hansjörg Grützmacher
Functionalized borazines as precursors for new silica gels
Dalton Trans., 2003, 2126-2132
7013265 CIFC40 H81 Al2.5 Cl2.5 O14 P2I b a 220.56; 22.659; 24.35
90; 90; 90
11344Thierry Azaïs; Christian Bonhomme; Laure Bonhomme-Coury; Guido Kickelbick
Aluminophosphonate clusters: a new architecture
Dalton Trans., 2003, 3158-3159
7015678 CIFC57 H49 Br2 Cl3 Fe2 Hg N2 P2I b a 213.7805; 40.4138; 19.15
90; 90; 90
10665.1Siemeling, 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), 2011, 40, 4722-4740
7015711 CIFC16 H28 Fe N2 O2I b a 210.6628; 15.7409; 20.5025
90; 90; 90
3441.18Granum, 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), 2011, 40, 5881-5890
7015712 CIFC16 H28 N2 O2 ZnI b a 210.626; 15.6935; 20.6601
90; 90; 90
3445.26Granum, 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), 2011, 40, 5881-5890
7015889 CIFC85 H121 In6 N24 O40.5I b a 222.955; 47.028; 20.745
90; 90; 90
22395Oh, 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), 2011, 40, 5720-5727
7017990 CIFC204 H118 Cu6 F36 N24 P6 S6I b a 245.237; 18.6322; 23.8739
90; 90; 90
20122.5Cox, 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), 2012, 41, 1568-1573
7018399 CIFC59 H60 Cl2 Ni O4 P4I b a 29.6018; 23.6046; 24.3824
90; 90; 90
5526.19Reitsamer, 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), 2012, 41, 3503-3514
7018659 CIFC25 H30 N6 O2I b a 217.58; 21.6924; 12.814
90; 90; 90
4886.6Clegg, 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), 2012, 41, 4335-4357
7019091 CIFC33 H25 F6 Ir N2 O4 S2I b a 211.985; 16.493; 17.398
90; 90; 90
3439Wang, 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), 2012, 41, 6833-6841
7021388 CIFC12 H12 K2 O21 P6 Zn5I b a 28.4899; 16.1856; 19.8846
90; 90; 90
2732.42Maeda, 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), 2013, 42, 10424-10432
7021391 CIFC12 H18 N2 O21 P6 Zn5I b a 28.5337; 16.1764; 19.9903
90; 90; 90
2759.55Maeda, 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), 2013, 42, 10424-10432
7025131 CIFC23 H17 Cl3 Co N4 O4I b a 218.8069; 23.6319; 12.0928
90; 90; 90
5374.6Kawade, 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), 2010, 39, 5664-5675
7025860 CIFC18 H12 N2 O2I b a 214.333; 25.751; 7.859
90; 90; 90
2901Crawford, Lynne A.; Ieva, Maria; McNab, Hamish; Parsons, Simon
Structural studies of some push-pull N-arylbenzazoles.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 7147-7152
7027662 CIFC25 H41 Cl N6 Ni2 O4 S4I b a 218.732; 11.284; 16.048
90; 90; 90
3392.1Bhattacharyya, 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, 1999, 3859
7030267 CIFAl2 Sb18 Yb22I b a 211.7383; 12.36; 16.6796
90; 90; 90
2419.97Kastbjerg, 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), 2012, 41, 10347-10353
7030977 CIFC42 H44 Mn N4 O6I b a 27.4254; 29.56; 17.5819
90; 90; 90
3859.1Feng, 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), 2014, 43, 10930-10939
7035675 CIFC H6 B11 F10 N OI b a 212.356; 20.211; 9.735
90; 90; 90
2431.1Konieczka, 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), 2015, 44, 19576-19586
7039055 CIFC32 H24 N4 O22 Sm2 ZnI b a 213.39; 24.074; 13.179
90; 90; 90
4248.3Du, 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), 2016, 45, 8700-8704
7039056 CIFC32 H24 N4 O22 Tb2 ZnI b a 213.368; 23.922; 13.092
90; 90; 90
4186.7Du, 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), 2016, 45, 8700-8704
7043782 CIFC19 H22 N O PI b a 210.6648; 34.271; 9.4843
90; 90; 90
3466.4Geier, 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
7045346 CIFC19 H27 Fe N SiI b a 213.6524; 27.8481; 8.855
90; 90; 90
3366.61Musgrave, 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
7047942 CIFC18 H18 Cl F6 N4 P ZnI b a 216.794; 17.209; 14.623
90; 90; 90
4226.2de 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 Zn<sup>II</sup> coordination sphere and chemical structure over the reactivity of metallo-β-lactamase model compounds.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 2900-2916
7052309 CIFC27 H30 N O2 PI b a 219.157; 25.897; 9.9046
90; 90; 90
4913.8Bhuvan 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, 2006, 30, 1614
7054492 CIFC12 H14 O5 PbI b a 216.2354; 19.1181; 8.2268
90; 90; 90
2553.5Bo, 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., 2015, 39, 431

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