Crystallography Open Database

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4512308 CIFC7 H5 I2 N O2P m n a22.7032; 4.1824; 19.5101
90; 90; 90
1852.56Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo
Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons
Crystal Growth & Design, 2014, 14, 6189
4512309 CIFC7 H5 I2 N O2P m n a22.5957; 4.1172; 19.4964
90; 90; 90
1813.77Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo
Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons
Crystal Growth & Design, 2014, 14, 6189
4514422 CIFH4 N4P m n a8.9331; 3.7824; 8.6519
90; 90; 90
292.34Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M.
A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4)
ACS Applied Energy Materials, 2019, 2, 6919
7017048 CIFC12 H17 Mn N4 O7P m n a7.2233; 11.417; 20.3946
90; 90; 90
1681.91Wang, Yan-Qin; Sun, Qian; Yue, Qi; Cheng, Ai-Ling; Song, You; Gao, En-Qing
Manganese(ii)-carboxylate-pseudohalide systems derived from 1,4-bis(4-carboxylatopyridinium-1-methylene)benzene: structures and magnetism.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 10966-10974
7021234 CIFC20 K18 O179 P20 U20P m n a31.955; 20.421; 20.421
90; 90; 90
13326Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C.
Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 6793-6802
7025262 CIFC63 H60 F18 N15 P3 Pd3P m n a31.371; 18.99; 12.262
90; 90; 90
7305Ning, Guo-Hong; Xie, Ting-Zheng; Pan, Yuan-Jiang; Li, Yi-Zhi; Yu, Shu-Yan
Self-assembly of bowl-like trinuclear metallo-macrocycles.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 3203-3211
7114243 CIFCe2 H8 Na4.8 O34 Si12P m n a7.3093; 7.135; 14.9713
90; 90; 90
780.78Jeong, Hae-Kwon; Chandrasekaran, Annamalai; Tsapatsis, Michael
Synthesis of a new open framework cerium silicate and its structure determination by single crystal X-ray diffractionElectronic supplementary information (ESI) available: powder XRD patterns, TG data. See http://www.rsc.org/suppdata/cc/b2/b206738m/
Chemical Communications, 2002, 2398
7117144 CIFC147 H182 N14 O56 Zn6P m n a19.7928; 17.7591; 28.543
90; 90; 90
10032.9Fei-Yan Yi; Hai-Long Jiang; Zhong-Ming Sun
Linearly bridging CO2 in a metal-organic framework
Chem.Commun., 2015, 51, 8446
7120238 CIFC7 Bi O8P m n a8.54221; 4.66794; 23.7131
90; 90; 90
945.55Wang, Yunchen; Takki, Sofia; Cheung, Ocean; Xu, Hong-Yi; Wan, Wei; Öhrström, Lars R.; Inge, Andrew Ken
Elucidation of the Elusive Structure and Formula of the Active Pharmaceutical Ingredient Bismuth Subgallate by Continuous Rotation Electron Diffraction
Chem. Commun., 2017
7122467 CIFC16 H16 Au2 N10P m n a6.3484; 8.1538; 18.6895
90; 90; 90
967.44Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei
Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.
Chemical communications (Cambridge, England), 2018, 54, 12844-12847
7122470 CIFC16 H16 Au2 N10P m n a6.3929; 8.1734; 18.6898
90; 90; 90
976.57Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei
Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.
Chemical communications (Cambridge, England), 2018, 54, 12844-12847
7122471 CIFC16 H16 Au2 N10P m n a6.3632; 8.1603; 18.6843
90; 90; 90
970.19Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei
Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.
Chemical communications (Cambridge, England), 2018, 54, 12844-12847
7126947 CIFC31 H23 Cl2 F12 Fe N7 P2P m n a11.5092; 10.5574; 35.527
90; 90; 90
4316.8Fujisaki, Hiroto; Ishizuka, Tomoya; Shimoyama, Yoshihiro; Kotani, Hiroaki; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko
Selective catalytic 2e<sup>-</sup>-oxidation of organic substrates by an Fe<sup>II</sup> complex having an N-heterocyclic carbene ligand in water.
Chemical communications (Cambridge, England), 2020, 56, 9783-9786
7128193 CIFC170 H262 O91 Sn18P m n a27.106; 15.46; 46.953
90; 90; 90
19676Zhu, Yu; Li, Qiaohong; Li, Dongsheng; Zhang, Jian; Zhang, Lei
Functional ligand directed assembly and electronic structure of Sn<sub>18</sub>-oxo wheel nanoclusters.
Chemical communications (Cambridge, England), 2021, 57, 5159-5162
7128762 CIFC34 H28 Cl Mn2 N13 O8 S2P m n a21.678; 13.712; 15.918
90; 90; 90
4732Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian
A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries.
Chemical communications (Cambridge, England), 2021, 57, 8937-8940
7128763 CIFC34 H30 Co2 N13 O9 S2P m n a22.1875; 13.4774; 15.9045
90; 90; 90
4755.9Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian
A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries.
Chemical communications (Cambridge, England), 2021, 57, 8937-8940
7128764 CIFC34 H30 Co Mn N13 O9 S2P m n a22.29; 13.477; 15.919
90; 90; 90
4782Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian
A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries.
Chemical communications (Cambridge, England), 2021, 57, 8937-8940
7130475 CIFC H5 N5 O2P m n a9.9196; 6.44705; 8.1105
90; 90; 90
518.68Bellas, Michael K.; Matzger, Adam J.
Peroxosolvate discovery method leads to first cocrystal with three energetic components.
Chemical communications (Cambridge, England), 2022, 58, 8806-8809
7201238 CIFC22 H22 Br N2 O2 S12P m n a7.1097; 6.5049; 32.691
90; 90; 90
1511.9Zorina, Leokadiya; Simonov, Sergey; Mézière, Cécile; Canadell, Enric; Suh, Steve; Brown, Stuart E.; Foury-Leylekian, Pascale; Fertey, Pierre; Pouget, Jean-Paul; Batail, Patrick
Charge ordering, symmetry and electronic structure issues and Wigner crystal structure of the quarter-filled band Mott insulators and high pressure metals δ-(EDT-TTF-CONMe2)2X, X = Br and AsF6
Journal of Materials Chemistry, 2009, 19, 6980
7209097 CIFC13 H21 N4 O6.708P m n a32.122; 15.681; 7.105
90; 90; 90
3579Yadav, Vitthal N.; Görbitz, Carl Henrik
A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials
CrystEngComm, 2013, 15, 439
7210065 CIFC78 H146 Mn Mo6 N7 O32P m n a23.8498; 14.573; 15.4775
90; 90; 90
5379.4Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy
Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates
CrystEngComm, 2013, 15, 4422
7210946 CIFC17 H16 Ag F6 N2 O3 PP m n a13.5994; 9.9972; 14.0444
90; 90; 90
1909.42Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar
Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives
CrystEngComm, 2013, 15, 9623
7218308 CIFC28 H34 Cu N4 O8P m n a15.8723; 12.1103; 14.8539
90; 90; 90
2855.2Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der
Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide
CrystEngComm, 2015, 17, 90
7221096 CIFBa2 Fe4 Nd2 O11P m n a15.54166; 3.90558; 7.9773
90; 90; 90
484.216Karen, P.; Woodward, P.M.
Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)
Journal of Materials Chemistry, 1998, 9, 789-797
7221097 CIFBa2 Fe4 O11 Sm2P m n a15.47744; 3.89602; 7.96825
90; 90; 90
480.489Karen, P.; Woodward, P.M.
Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)
Journal of Materials Chemistry, 1998, 9, 789-797
7222773 CIFH4 N4P m n a8.8978; 3.8067; 8.6735
90; 90; 90
293.782Reckeweg, O.; Simon, A.
Azide und Cyanamide - aehnlich und doch anders
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2003, 58, 1097-1104
7225417 CIFC40 H44 Cl3 N25 O21 Pr2P m n a25.508; 10.756; 14.224
90; 90; 90
3903Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin
Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides
CrystEngComm, 2016, 18, 5028
7225420 CIFC40 H46 Cl2 N26 Nd2 O30P m n a25.819; 10.779; 14.304
90; 90; 90
3981Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin
Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides
CrystEngComm, 2016, 18, 5028
7225423 CIFC40 H44 Cl2 N26 O29 Sm2P m n a25.712; 10.726; 14.392
90; 90; 90
3969Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin
Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides
CrystEngComm, 2016, 18, 5028
7226939 CIFC15 H8 Ni0.75 O6.75P m n a27.2662; 11.5396; 13.9678
90; 90; 90
4394.84Zhou, Zhen; Yang, Lu; Wang, Yefei; He, Cheng; liu, tao; Duan, Chunying
Construction of Solvent-dependent Self-assembly Porous Ni(II)-Coordinated Frameworks Effectively Catalysis for Chemical Transformation of CO2
RSC Adv., 2016
7233842 CIFC H8 Cl N3 OP m n a7.909; 17.113; 8.049
90; 90; 90
1089.4Wang, Ya; Han, Jian; Tudi, Abudukadi; Zhang, Zhizhong; Yang, Zhihua; Pan, Shilie
CO(NH2)2·NH4Cl: an ultraviolet birefringent material with conjugated CO groups
CrystEngComm, 2019, 21, 6072
7237248 CIFC34 H18 N2 O14 Sc2P m n a32.741; 7.797; 8.763
90; 90; 90
2237Prasad, Ram R. R.; Seidner, Sarah E.; Cordes, David B.; Lozinska, Magdalena M.; Dawson, Daniel M.; Thompson, Megan J.; Düren, Tina; Chakarova, Kristina K.; Mihaylov, Mihail Y.; Hadjiivanov, Konstantin I.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Ashbrook, Sharon E.; Clarke, Matthew L.; Wright, Paul A.
STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine
Journal of Materials Chemistry A, 2019, 7, 5685
7244700 CIFC44 H44.73 Cu2.4 N4 O16.8P m n a42.6882; 14.5716; 26.9781
90; 90; 90
16781.3Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.
Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands
CrystEngComm, 2022
7705993 CIFC4 H2 Mn2 O9P m n a7.136; 5.891; 9.029
90; 90; 90
379.56Wu, Wen-Yuan; Tang, Tie-Huan; Li, Yi; Xu, Shuang
Versatile oxalato-bridging modes: a novel three-dimensional framework structure of manganese(ii) oxalate complex [MnC<sub>2</sub>O<sub>4</sub>]·0.5H<sub>2</sub>O and the relationship with other manganese(ii) oxalates.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 485-489
9016938 CIFC2 H22.34 Al Ca0.05 Dy0.17 Er0.15 F0.66 Gd0.07 O22.34 Pb0.057 Sm0.01 Y3.41 Yb0.09P m n a7.8412; 11.0313; 11.387
90; 90; 90
984.96Biagioni, C.; Bonaccorsi, E.; Camara, F.; Cadoni, M.; Ciriotti, M. E.; Bersani, D.; Kolitsch, U.
Lusernaite-(Y), Y4Al(CO3)2(OH,F)11*6H2O, a new mineral species from Luserna Valley, Piedmont, Italy: Description and crystal structure
American Mineralogist, 2013, 98, 1322-1329

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