Crystallography Open Database

Result : There are 228 entries in the selection

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Searching space group like 'R -3'

COD ID: 1517916
CIF file Formula: - C9 H13 N3 O -
Comments: Guo, Jiawei; Yu, Binxun; Wang, Ya-Nan; Duan, Dongyu; Ren, Li-Li; Gao, Ziwei; Gou, Jing Conversion of 2-Furylcarbinols with Alkyl or Aryl Azides to Highly Functionalized 1,2,3-Triazoles via Cascade Formal [3 + 2] Cycloaddition/Ring-Opening. Organic letters 16(19) (2014) 5088-5091
Space group: R -3
Cell volume: 4573
Cell parameters: 31.114; 31.114; 5.4546; 90; 90; 120;  

COD ID: 1517951
CIF file Formula: - C252 H276 Co4 F36 N48 P6 -
Comments: Symmers, P. R.; Burke, M. J.; August, D. P.; Thomson, P. I. T.; Nichol, G. S.; Warren, M. R.; Campbell, C. J.; Lusby, P. J. Non-equilibrium cobalt(iii) “click” capsules Chem. Sci. 6(1) (2015) 756
Space group: R -3
Cell volume: 57278
Cell parameters: 30.5162; 30.5162; 71.022; 90; 90; 120;  

COD ID: 1518729
CIF file Formula: - C54 H52 Cl Ir N4 O2 P2 -
Comments: Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci. 6(4) (2015) 2506
Space group: R -3
Cell volume: 21692.9
Cell parameters: 30.1754; 30.1754; 27.5094; 90; 90; 120;  

COD ID: 1542605
CIF file Formula: - C20 H24 Cl4 F6 Rh2 -
Comments: Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F. Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives Chem. Sci. 7(6) (2016) 3780
Space group: R -3
Cell volume: 5607.8
Cell parameters: 28.1638; 28.1638; 8.1635; 90; 90; 120;  

COD ID: 1542878
CIF file

HKL data

Original IUCr paper

 Formula: - C39 H90 Bi3 I12 N9 -
Comments: Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III) IUCrData 1(3) (2016) x160391
Space group: R -3
Cell volume: 11218.5
Cell parameters: 18.7962; 18.7962; 36.666; 90; 90; 120;  

COD ID: 1544157
CIF file Formula: - C54 H126 Au25 S18 -
Comments: Agrachev, Mikhail; Antonello, Sabrina; Dainese, Tiziano; Gascon, Jose; Pan, Fangfang; Rissanen, Kari; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Maran, Flavio A Magnetic Look into the Protecting Layer of Au25Clusters Chem. Sci. (2016)
Space group: R -3
Cell volume: 7443.8
Cell parameters: 17.771; 17.771; 27.217; 90; 90; 120;  

COD ID: 1544716
CIF file Formula: - Fe O3 Ti -
Comments: Ohgaki, K.; Ohgaki, M.; Tanaka, K.; Marumo, F.; Takei, H. Electron-density distribution in ilmenite-type crystals, IV. Iron (II) titanium (IV) trioxide, FeTiO3 Mineralogical Journal 14 (1989) 179-190
Space group: R -3
Cell volume: 316.011
Cell parameters: 5.08854; 5.08854; 14.0924; 90; 90; 120;  

COD ID: 1544718
CIF file Formula: - Ni O3 Ti -
Comments: Ohgaki, M.; Tanaka, K.; Marumo, F.; Takei, H. Electron-density distribution in ilmenite-type crystals III. Nickel (II) titanium (IV) trioxide, NiTiO3 Mineralogical Journal 14 (1988) 133-144
Space group: R -3
Cell volume: 303.75
Cell parameters: 5.0394; 5.0394; 13.811; 90; 90; 120;  

COD ID: 1544900
CIF file Formula: - Be2 O4 Si -
Comments: Kogure, T.; Takeuchi, Y. Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 2.2 GPa Mineralogical Journal 13 (1986) 22-27
Space group: R -3
Cell volume: 1096.6
Cell parameters: 12.415; 12.415; 8.215; 90; 90; 120;  

COD ID: 1544901
CIF file Formula: - Be2 O4 Si -
Comments: Kogure, T.; Takeuchi, Y. Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 3.2 GPa Mineralogical Journal 13 (1986) 22-27
Space group: R -3
Cell volume: 1090.3
Cell parameters: 12.391; 12.391; 8.2; 90; 90; 120;  

COD ID: 1545122
CIF file Formula: - Al2 O12 S3 -
Comments: Kato, E.; Daimon, K. Crystal structure of anhydrous aluminum sulfate Yogyo-Kyokai-Shi 87 (1979) 590-595
Space group: R -3
Cell volume: 1193.38
Cell parameters: 8.032; 8.032; 21.36; 90; 90; 120;  

COD ID: 1545763
CIF file Formula: - C8.58 H2 Co2 O6.58 -
Comments: Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci. (2017)
Space group: R -3
Cell volume: 3946.1
Cell parameters: 25.8262; 25.8262; 6.8315; 90; 90; 120;  

COD ID: 1545764
CIF file Formula: - C8 H2 Co2 N7.55 O6 -
Comments: Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci. (2017)
Space group: R -3
Cell volume: 3981
Cell parameters: 25.81; 25.81; 6.901; 90; 90; 120;  

COD ID: 1545765
CIF file Formula: - C8 H2 Co2 O6 -
Comments: Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci. (2017)
Space group: R -3
Cell volume: 3975.9
Cell parameters: 25.892; 25.892; 6.8482; 90; 90; 120;  

COD ID: 1545766
CIF file Formula: - C8 H2 Co2 O6 P5.28 -
Comments: Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci. (2017)
Space group: R -3
Cell volume: 3922.2
Cell parameters: 25.7348; 25.7348; 6.8385; 90; 90; 120;  

COD ID: 1545767
CIF file Formula: - C8 H2 Ar2 Co2 O6 -
Comments: Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci. (2017)
Space group: R -3
Cell volume: 3977.5
Cell parameters: 25.86; 25.86; 6.8678; 90; 90; 120;  

COD ID: 1545768
CIF file Formula: - C8 H2 Co2 O17.92 -
Comments: Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci. (2017)
Space group: R -3
Cell volume: 3951.8
Cell parameters: 25.7599; 25.7599; 6.8766; 90; 90; 120;  

COD ID: 1545769
CIF file Formula: - C10 H10 Co2 O6 -
Comments: Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci. (2017)
Space group: R -3
Cell volume: 3966.5
Cell parameters: 25.866; 25.866; 6.8457; 90; 90; 120;  

COD ID: 1545770
CIF file Formula: - C9.19 H2 Co2 O7.19 -
Comments: Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction Chem. Sci. (2017)
Space group: R -3
Cell volume: 3964.7
Cell parameters: 25.853; 25.853; 6.8494; 90; 90; 120;  

COD ID: 1546351
CIF file Formula: - C43 H5 F20 N4 Ni O2 -
Comments: Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands Chem. Sci. (2017)
Space group: R -3
Cell volume: 8558.5
Cell parameters: 20.0377; 20.0377; 24.6135; 90; 90; 120;  

COD ID: 1546852
CIF file Formula: - C32 H20 Cl2 Cu N8 O10 -
Comments: Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties CrystEngComm 19(39) (2017) 5864-5872
Space group: R -3
Cell volume: 23917.3
Cell parameters: 30.6123; 30.6123; 29.4707; 90; 90; 120;  

COD ID: 1547495
CIF file Formula: - C56 H48 Cl2 N2 Ni -
Comments: Mahmood, Qaiser; Zemg, Yanning; Yue, Erlin; Solan, Gregory; Liang, Tongling; Sun, Wen Hua Ultra-high molecular weight elastomeric polyethylene using an electronically and sterically enhanced nickel catalyst Polym. Chem. (2017)
Space group: R -3
Cell volume: 24332
Cell parameters: 29.579; 29.579; 32.113; 90; 90; 120;  

COD ID: 1547804
CIF file Formula: - C22 H24 N2 O8 Zn2 -
Comments: Milner, Phillip John; Martell, Jeffrey Daniel; Siegelman, Rebecca; Gygi, David; Weston, Simon; Long, Jeffrey R. Overcoming double-step CO2 adsorption and minimizing water co-adsorption in bulky diamine-appended variants of Mg2(dobpdc) Chem. Sci. (2017)
Space group: R -3
Cell volume: 7791.8
Cell parameters: 36.5943; 36.5943; 6.7186; 90; 90; 120;  

COD ID: 1548413
CIF file Formula: - C109 H96 Ag16 F32 N16 O45 -
Comments: Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls Philosophical Transactions of the Royal Society A 375 (2017) 1-16
Space group: R -3
Cell volume: 71007.4
Cell parameters: 50.0474; 50.0474; 32.7348; 90; 90; 120;  

COD ID: 1549479
CIF file Formula: - C50 H33 Cl2 F7 N O Sb -
Comments: Yin, Jiangliang; Zhou, Fulin; Zhu, Lei; Yang, Mufan; Lan, Yu; You, Jingsong Annulation cascade of arylnitriles with alkynes to stable delocalized PAH carbocations via intramolecular rhodium migration Chemical Science (2018)
Space group: R -3
Cell volume: 21143.2
Cell parameters: 28.6364; 28.6364; 29.7717; 90; 90; 120;  

COD ID: 1549637
CIF file Formula: - C30 H21.45 Cl O0.22 Si -
Comments: Zipse, Hendrik; Marin-Luna, Marta; Poelloth, Benjamin; Zott, Fabian L. Size-Dependent Rate Acceleration in the Silylation of Secondary Alcohols: the Bigger the Faster Chemical Science (2018)
Space group: R -3
Cell volume: 3621.9
Cell parameters: 17.2923; 17.2923; 13.9863; 90; 90; 120;  

COD ID: 1549698
CIF file Formula: - C79.98 H59 Cl3 N10 -
Comments: Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science (2018)
Space group: R -3
Cell volume: 29675
Cell parameters: 50.519; 50.519; 13.4259; 90; 90; 120;  

COD ID: 1550134
CIF file Formula: - C19 H18 F2 O -
Comments: Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science (2019)
Space group: R -3
Cell volume: 7009.36
Cell parameters: 26.8452; 26.8452; 11.2309; 90; 90; 120;  

COD ID: 1550693
CIF file Formula: - C17 H14 N2 O2 S2 -
Comments: Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe Chemical Science (2019)
Space group: R -3
Cell volume: 8424
Cell parameters: 28.7; 28.7; 11.8086; 90; 90; 120;  

COD ID: 1550732
CIF file Formula: - C25 H44 K N2 O6 Rh0.33 Sn4 -
Comments: Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3‒, [Rh@Sn12]3‒, [Rh2@Sn17]6‒ and the First Triply-Fused Stannide, [Rh3@Sn24]5‒ Chemical Science (2019)
Space group: R -3
Cell volume: 15844
Cell parameters: 24.749; 24.749; 29.868; 90; 90; 120;  

COD ID: 1550916
CIF file Formula: - C40 H96 Mn4 N6 O6 Se17 Sn4 -
Comments: Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles Chemical Science (2019)
Space group: R -3
Cell volume: 12764.8
Cell parameters: 16.4857; 16.4857; 54.2335; 90; 90; 120;  

COD ID: 2000736
CIF file

Original IUCr paper

 Formula: - Mo6 S8 Sn0.854 -
Comments: Le Lay, L.; Powell, D. R.; Willis, T. C. Structure of Sn~0.854~Mo~6~S~8~ Acta Crystallographica Section C 48(7) (1992) 1179-1182
Space group: R -3
Cell volume: 275.86
Cell parameters: 6.51; 6.51; 6.51; 89.47; 89.47; 89.47;  

COD ID: 2001762
CIF file

Original IUCr paper

 Formula: - C26 H54 O6 W2 -
Comments: Gilbert, T. M.; Rogers, R. D. Structure of [W~2~(μ-C~2~){OC(CH~3~)~3~}~6~]: a dimetallabutadiyne Acta Crystallographica Section C 49(4) (1993) 677-680
Space group: R -3
Cell volume: 851.4
Cell parameters: 11.301; 11.301; 11.301; 52.93; 52.93; 52.93;  

COD ID: 2019202
CIF file

Original IUCr paper

 Formula: - Mo6 Na9 O24 Sc -
Comments: Savina, Aleksandra A.; Morozov, Vladimir A.; Basovich, Olga M.; Khaikina, Elena G.; Lazoryak, Bogdan I. The double molybdate Na~9~Sc(MoO~4~)~6~ refined from powder XRD data Acta Crystallographica Section C 69(11) (2013) 1301-1303
Space group: R -3
Cell volume: 3744.46
Cell parameters: 15.0087; 15.0087; 19.1943; 90; 90; 120;  

COD ID: 2020978
CIF file

HKL data

 Formula: - C21 H30 N18 O3 S3 -
Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine Acta Crystallographica Section C 74(1) (2018) 21-30
Space group: R -3
Cell volume: 4466
Cell parameters: 17.6827; 17.6827; 16.4925; 90; 90; 120;  

COD ID: 2100791
CIF file

Original IUCr paper

 Formula: - C12 H30 Cl3 Co N6 -
Comments: Morooka, M.; Ohba, S.; Toriumi, K. Electron-density distribution in crystals of 1,4,7,10,13,16-hexaazacyclooctadecanecobalt(III) trichloride, <i>meso</i>-[Co(hexaen)]Cl~3~ at 106 K Acta Crystallographica Section B 48(4) (1992) 459-463
Space group: R -3
Cell volume: 1238.63
Cell parameters: 9.2536; 9.2536; 16.7028; 90; 90; 120;  

COD ID: 2107503
CIF file

HKL data

 Formula: - C31 H24 Ag F3 N9 O9 P3 S -
Comments: Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects Acta Crystallographica Section B 72(3) (2016) 344-356
Space group: R -3
Cell volume: 5229.3
Cell parameters: 12.5705; 12.5705; 38.213; 90; 90; 120;  

COD ID: 2236499
CIF file

HKL data

Original IUCr paper

 Formula: - C14 H32 N2 O6 -
Comments: Grassl, Tobias; Hamberger, Markus; Korber, Nikolaus Acetylene‒ammonia‒18-crown-6 (1/2/1) Acta Crystallographica Section E 68(10) (2012) o2933
Space group: R -3
Cell volume: 1417.33
Cell parameters: 11.8915; 11.8915; 11.5736; 90; 90; 120;  

COD ID: 2238428
CIF file

HKL data

Original IUCr paper

 Formula: - C13 H11 Cl O2 -
Comments: Prakasha, G.; Jasinski, Jerry P.; Brown, Jared S.; Yathirajan, H. S.; Ravishankara, D. K. 2-[(2-Chlorophenyl)(hydroxy)methyl]phenol Acta Crystallographica Section E 69(8) (2013) o1240
Space group: R -3
Cell volume: 5421.6
Cell parameters: 23.4627; 23.4627; 11.3722; 90; 90; 120;  

COD ID: 2239164
CIF file

HKL data

Original IUCr paper

 Formula: - C10 H12 O8 -
Comments: Uchida, Akira; Hasegawa, Masatoshi; Yamaguchi, Shinya; Takezawa, Eiichiro; Ishikawa, Atsushi; Kagayama, Takashi (1<i>S</i>*,2<i>S</i>*,4<i>R</i>*,5<i>R</i>*)-Cyclohexane-1,2,4,5-tetracarboxylic acid Acta Crystallographica Section E 70(1) (2014) o75
Space group: R -3
Cell volume: 2589
Cell parameters: 17.697; 17.697; 9.5455; 90; 90; 120;  

COD ID: 2240439
CIF file

HKL data

 Formula: - C2 Ca Co0.17 Mg0.83 O6 -
Comments: Perchiazzi, Natale Crystal structure study of a cobaltoan dolomite from Kolwezi, Democratic Republic of Congo Acta Crystallographica Section E 71(3) (2015) i3
Space group: R -3
Cell volume: 322.337
Cell parameters: 4.8158; 4.8158; 16.0488; 90; 90; 120;  

COD ID: 2241270
CIF file

HKL data

Original IUCr paper

 Formula: - C8 H18 Co3 N6 O8 -
Comments: Müller, Thomas G.; Kraus, Florian Crystal structure of [Co(NH~3~)~6~][Co(CO)~4~]~2~ Acta Crystallographica Section E 71(11) (2015) 1418-1420
Space group: R -3
Cell volume: 1391.48
Cell parameters: 9.3679; 9.3679; 18.3089; 90; 90; 120;  

COD ID: 2241368
CIF file

HKL data

Original IUCr paper

 Formula: - C17 H18 Cl N O5 -
Comments: Moriguchi, Tetsuji; Jalli, Venkataprasad; Krishnamurthy, Suvratha; Tsuge, Akihiko; Yoja, Kenji Crystal structure of (<i>tert</i>-butylcarbamoyl)(4-chloro-2-oxo-2<i>H</i>-chromen-3-yl)methyl acetate Acta Crystallographica Section E 71(12) (2015) o1002
Space group: R -3
Cell volume: 7551.2
Cell parameters: 29.831; 29.831; 9.7983; 90; 90; 120;  

COD ID: 2242786
CIF file

HKL data

Original IUCr paper

 Formula: - C18 H54 Er2 O36 -
Comments: Ponjan, Nutcha; Kodchasanthong, Kenika; Jiajaroen, Suwadee; Chainok, Kittipong Crystal structure of poly[[hexaaquatris(μ-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)dierbium(III)] octadecahydrate] Acta Crystallographica Section E 75(1) (2019) 64-67
Space group: R -3
Cell volume: 3107.19
Cell parameters: 14.0947; 14.0947; 18.0603; 90; 90; 120;  

COD ID: 4001418
CIF file Formula: - Cu2.97 Mo18 S24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials 19(21) (2007) 5131
Space group: R -3
Cell volume: 797.4
Cell parameters: 9.405; 9.405; 10.41; 90; 90; 120;  

COD ID: 4001419
CIF file Formula: - Cu4.23 Mo18 S24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials 19(21) (2007) 5131
Space group: R -3
Cell volume: 809.5
Cell parameters: 9.52; 9.52; 10.314; 90; 90; 120;  

COD ID: 4001420
CIF file Formula: - Cu3.37 Mg0.25 Mo18 S24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials 19(21) (2007) 5131
Space group: R -3
Cell volume: 805.9
Cell parameters: 9.47; 9.47; 10.377; 90; 90; 120;  

COD ID: 4001421
CIF file Formula: - Cu4.37 Mg0.22 Mo18 S24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials 19(21) (2007) 5131
Space group: R -3
Cell volume: 819.1
Cell parameters: 9.548; 9.548; 10.375; 90; 90; 120;  

COD ID: 4001422
CIF file Formula: - Cu1.6 Mg2.09 Mo18 S24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials 19(21) (2007) 5131
Space group: R -3
Cell volume: 821.1
Cell parameters: 9.534; 9.534; 10.431; 90; 90; 120;  

COD ID: 4001423
CIF file Formula: - Cu2.86 Mg1.31 Mo18 S24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials 19(21) (2007) 5131
Space group: R -3
Cell volume: 820.3
Cell parameters: 9.516; 9.516; 10.46; 90; 90; 120;  

COD ID: 4001424
CIF file Formula: - Cu3.02 Mg2.27 Mo18 S24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials 19(21) (2007) 5131
Space group: R -3
Cell volume: 831.8
Cell parameters: 9.594; 9.594; 10.435; 90; 90; 120;  

COD ID: 4001425
CIF file Formula: - Cu4.66 Mg3.31 Mo18 S24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials 19(21) (2007) 5131
Space group: R -3
Cell volume: 851
Cell parameters: 9.724; 9.724; 10.392; 90; 90; 120;  

COD ID: 4001426
CIF file Formula: - Cu1.21 Mg5.4 Mo18 S24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials 19(21) (2007) 5131
Space group: R -3
Cell volume: 848.7
Cell parameters: 9.705; 9.705; 10.405; 90; 90; 120;  

COD ID: 4001427
CIF file Formula: - Cu3.06 Mg0.2 Mo18 S24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials 19(21) (2007) 5131
Space group: R -3
Cell volume: 803.4
Cell parameters: 9.448; 9.448; 10.392; 90; 90; 120;  

COD ID: 4001428
CIF file Formula: - Cu2.56 Mg0.77 Mo18 S24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials 19(21) (2007) 5131
Space group: R -3
Cell volume: 809
Cell parameters: 9.462; 9.462; 10.434; 90; 90; 120;  

COD ID: 4001596
CIF file Formula: - Mg Mo6 S8 -
Comments: Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O. Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides Chemistry of Materials 18(23) (2006) 5492
Space group: R -3
Cell volume: 818.206
Cell parameters: 9.4592714; 9.4592714; 10.5588446; 90; 90; 120;  

COD ID: 4001597
CIF file Formula: - Mg2 Mo6 S8 -
Comments: Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O. Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides Chemistry of Materials 18(23) (2006) 5492
Space group: R -3
Cell volume: 855.927
Cell parameters: 9.7630596; 9.7630596; 10.3689375; 90; 90; 120;  

COD ID: 4032898
CIF file Formula: - C19 H19 N O4 -
Comments: Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun [3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones. The Journal of organic chemistry 82(19) (2017) 10680-10686
Space group: R -3
Cell volume: 9628.2
Cell parameters: 35.153; 35.153; 8.9968; 90; 90; 120;  

COD ID: 4079804
CIF file Formula: - C101.36 H87.69 Cl6.39 Fe6 Ga2 N3 O13.56 -
Comments: Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E. Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates Organometallics 32(1) (2013) 95
Space group: R -3
Cell volume: 51406
Cell parameters: 68.226; 68.226; 12.7521; 90; 90; 120;  

COD ID: 4079805
CIF file Formula: - C107.61 H103.36 Cl4.33 Fe6 In2 N3 O15.29 -
Comments: Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E. Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates Organometallics 32(1) (2013) 95
Space group: R -3
Cell volume: 50648
Cell parameters: 67.44; 67.44; 12.8588; 90; 90; 120;  

COD ID: 4080387
CIF file Formula: - C94 H90 O8 Si8 -
Comments: Panisch, Robin; Bassindale, Alan R.; Korlyukov, Alexander A.; Pitak, Mateusz B.; Coles, Simon J.; Taylor, Peter G. Selective Derivatization and Characterization of Bifunctional “Janus-Type” Cyclotetrasiloxanes Organometallics 32(6) (2013) 1732
Space group: R -3
Cell volume: 43994
Cell parameters: 68.514; 68.514; 10.822; 90; 90; 120;  

COD ID: 4081903
CIF file Formula: - C24 H33.33 Cl Ir N3 -
Comments: Specht, Zephen G.; Grotjahn, Douglas B.; Moore, Curtis E.; Rheingold, Arnold L. Effects of Hindrance in N-Pyridyl Imidazolylidenes Coordinated to Iridium on Structure and Catalysis Organometallics 32(21) (2013) 6400
Space group: R -3
Cell volume: 10709
Cell parameters: 21.557; 21.557; 26.611; 90; 90; 120;  

COD ID: 4083592
CIF file Formula: - C25 H22 F3 N4 O3 S -
Comments: Mejuto, Carmen; Guisado-Barrios, Gregorio; Peris, Eduardo Novel Rhodium and Iridium Complexes Coordinated toC3-Symmetric Tris-NHC Ligands Based on a 1,3,5-Triphenylbenzene Core. Electronic and Catalytic Properties Organometallics 33(12) (2014) 3205
Space group: R -3
Cell volume: 14368.1
Cell parameters: 34.2772; 34.2772; 14.1208; 90; 90; 120;  

COD ID: 4086585
CIF file Formula: - C76 H103 Cl4 P4 Rh -
Comments: Miura-Akagi, Preston M.; Nakashige, Mika L.; Maile, Caitlin K.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Royappa, A. Timothy; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F. Synthesis of a Tris(phosphaalkene)phosphine Ligand and Fundamental Organometallic Reactions on Its Sterically Shielded Metal Complexes Organometallics 35(13) (2016) 2224
Space group: R -3
Cell volume: 37391
Cell parameters: 31.949; 31.949; 42.298; 90; 90; 120;  

COD ID: 4106314
CIF file Formula: - C20 H36 Cl Cu F5 K N6 O3 -
Comments: Ilya Popov; Sergey Lindeman; Olafs Daugulis Copper-Catalyzed Arylation of 1H-Perfluoroalkanes Journal of the American Chemical Society 133 (2011) 9286-9289
Space group: R -3
Cell volume: 12742
Cell parameters: 26.038; 26.038; 21.702; 90; 90; 120;  

COD ID: 4122608
CIF file Formula: - C45 H53 B Fe N7 P -
Comments: Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M. Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes. Journal of the American Chemical Society 136(38) (2014) 13326-13332
Space group: R -3
Cell volume: 23485.7
Cell parameters: 29.0822; 29.0822; 32.064; 90; 90; 120;  

COD ID: 4124286
CIF file Formula: - C44.67 H37 N6.33 -
Comments: Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser Redox Control of the Binding Modes of an Organic Receptor. Journal of the American Chemical Society 137(34) (2015) 11057-11068
Space group: R -3
Cell volume: 7711.9
Cell parameters: 22.2705; 22.2705; 17.9544; 90; 90; 120;  

COD ID: 4124287
CIF file Formula: - C122 H117 N19 -
Comments: Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser Redox Control of the Binding Modes of an Organic Receptor. Journal of the American Chemical Society 137(34) (2015) 11057-11068
Space group: R -3
Cell volume: 7757.9
Cell parameters: 22.3679; 22.3679; 17.9046; 90; 90; 120;  

COD ID: 4124544
CIF file Formula: - C56 H42 F3 N5 O4 P2 Ru -
Comments: Geri, Jacob B.; Szymczak, Nathaniel K. A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration. Journal of the American Chemical Society 137(40) (2015) 12808-12814
Space group: R -3
Cell volume: 26018.9
Cell parameters: 35.8458; 35.8458; 23.382; 90; 90; 120;  

COD ID: 4125162
CIF file Formula: - C192 Cu24 N24 O168 -
Comments: Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M. Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra. Journal of the American Chemical Society 138(30) (2016) 9646-9654
Space group: R -3
Cell volume: 32946
Cell parameters: 36.076; 36.076; 29.2307; 90; 90; 120;  

COD ID: 4125164
CIF file Formula: - C36 Cu4 O20 -
Comments: Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M. Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra. Journal of the American Chemical Society 138(30) (2016) 9646-9654
Space group: R -3
Cell volume: 33279
Cell parameters: 35.66; 35.66; 30.219; 90; 90; 120;  

COD ID: 4125391
CIF file Formula: - C379 H345 Ag63 B Cl6 F71.41 P8 S36 -
Comments: Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes. Journal of the American Chemical Society 139(1) (2017) 31-34
Space group: R -3
Cell volume: 63747
Cell parameters: 25.3369; 25.3369; 114.6628; 90; 90; 120;  

COD ID: 4125392
CIF file Formula: - C315 Ag63 Br F72 P8 S36 -
Comments: Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes. Journal of the American Chemical Society 139(1) (2017) 31-34
Space group: R -3
Cell volume: 63553.5
Cell parameters: 25.2879; 25.2879; 114.758; 90; 90; 120;  

COD ID: 4125482
CIF file Formula: - C324 H216 N40 Ru6 -
Comments: Chakraborty, Sourav; Hong, Wei; Endres, Kevin J.; Xie, Ting-Zheng; Wojtas, Lukasz; Moorefield, Charles N.; Wesdemiotis, Chrys; Newkome, George R. Terpyridine-Based, Flexible Tripods: From a Highly Symmetric Nanosphere to Temperature-Dependent, Irreversible, 3D Isomeric Macromolecular Nanocages. Journal of the American Chemical Society 139(8) (2017) 3012-3020
Space group: R -3
Cell volume: 77128
Cell parameters: 30.4451; 30.4451; 96.083; 90; 90; 120;  

COD ID: 4125590
CIF file Formula: - C23 H29 B F4 O2 -
Comments: Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale. Journal of the American Chemical Society 139(5) (2017) 2053-2059
Space group: R -3
Cell volume: 10458
Cell parameters: 27.2965; 27.2965; 16.2071; 90; 90; 120;  

COD ID: 4125712
CIF file Formula: - C23 H28.16 B F4 O1.75 -
Comments: Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale. Journal of the American Chemical Society 139(5) (2017) 2053-2059
Space group: R -3
Cell volume: 10220.5
Cell parameters: 27.0338; 27.0338; 16.1483; 90; 90; 120;  

COD ID: 4126184
CIF file Formula: - C7.5 H4 Cl0.5 N4.25 O0.5 Zn -
Comments: Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M. Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks. Journal of the American Chemical Society 139(18) (2017) 6448-6455
Space group: R -3
Cell volume: 16828.5
Cell parameters: 26.9457; 26.9457; 26.763; 90; 90; 120;  

COD ID: 4126524
CIF file Formula: - C58 H82 Ga2 N4 P8 -
Comments: Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J. Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus. Journal of the American Chemical Society (2017)
Space group: R -3
Cell volume: 41987
Cell parameters: 39.4235; 39.4235; 31.194; 90; 90; 120;  

COD ID: 4126610
CIF file Formula: - C11.78 H9.57 Co2 O6 -
Comments: Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.; Gonzalez, Miguel I.; Long, Jeffrey R. M2(m-dobdc) (M = Mn, Fe, Co, Ni) Metal-Organic Frameworks as Highly-Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations. Journal of the American Chemical Society (2017)
Space group: R -3
Cell volume: 3926
Cell parameters: 25.72; 25.72; 6.853; 90; 90; 120;  

COD ID: 4126638
CIF file Formula: - C88 H48 -
Comments: Berezhnaia, Veronika; Roy, Myriam; Vanthuyne, Nicolas; Villa, Marco; Naubron, Jean-Valère; Rodriguez, Jean; Coquerel, Yoann; Gingras, Marc A Chiral Nanographene Propeller Embedding Six Enantiomerically Stable [5]Helicene Units. Journal of the American Chemical Society (2017)
Space group: R -3
Cell volume: 28983.2
Cell parameters: 30.7121; 30.7121; 35.4811; 90; 90; 120;  

COD ID: 4126752
CIF file Formula: - C2 H8.67 Mn0.67 N0.67 O4 P2 -
Comments: Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society (2017)
Space group: R -3
Cell volume: 3484.7
Cell parameters: 9.886; 9.886; 41.171; 90; 90; 120;  

COD ID: 4126913
CIF file Formula: - C18 Cl18 N6 O79 Rb3 Ti12 -
Comments: Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng Titanium-Oxide Host Clusters with Exchangeable Guests. Journal of the American Chemical Society (2017)
Space group: R -3
Cell volume: 18123.2
Cell parameters: 18.3578; 18.3578; 62.096; 90; 90; 120;  

COD ID: 4303147
CIF file Formula: - Mn3 Mo18 S24 -
Comments: Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry 48 (2009) 8751-8758
Space group: R -3
Cell volume: 816.8
Cell parameters: 9.467; 9.467; 10.523; 90; 90; 120;  

COD ID: 4303148
CIF file Formula: - Mo6 Na S8 -
Comments: Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry 48 (2009) 8751-8758
Space group: R -3
Cell volume: 829.2
Cell parameters: 9.231; 9.231; 11.237; 90; 90; 120;  

COD ID: 4303149
CIF file Formula: - Mo6 Na Se8 -
Comments: Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry 48 (2009) 8751-8758
Space group: R -3
Cell volume: 929.6
Cell parameters: 9.572; 9.572; 11.716; 90; 90; 120;  

COD ID: 4303150
CIF file Formula: - Cd3 Mo18 S24 -
Comments: Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry 48 (2009) 8751-8758
Space group: R -3
Cell volume: 826.8
Cell parameters: 9.424; 9.424; 10.75; 90; 90; 120;  

COD ID: 4303151
CIF file Formula: - Cd3 Mo18 Se24 -
Comments: Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry 48 (2009) 8751-8758
Space group: R -3
Cell volume: 929.5
Cell parameters: 9.793; 9.793; 11.192; 90; 90; 120;  

COD ID: 4303152
CIF file Formula: - Mo18 S24 Zn3 -
Comments: Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry 48 (2009) 8751-8758
Space group: R -3
Cell volume: 812.4
Cell parameters: 9.545; 9.545; 10.296; 90; 90; 120;  

COD ID: 4303153
CIF file Formula: - Mo18 Se24 Zn3 -
Comments: Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry 48 (2009) 8751-8758
Space group: R -3
Cell volume: 912.8
Cell parameters: 9.91; 9.91; 10.732; 90; 90; 120;  

COD ID: 4337903
CIF file Formula: - C28 H45 Bi N2 Si -
Comments: Schwamm, Ryan J.; Day, Benjamin M.; Coles, Martyn P.; Fitchett, Christopher M. Low-Coordinate Bismuth Cations. Inorganic chemistry 53(7) (2014) 3778
Space group: R -3
Cell volume: 7053.9
Cell parameters: 28.7503; 28.7503; 9.8541; 90; 90; 120;  

COD ID: 4338060
CIF file Formula: - C12 H15 Cu2 I2 N7 -
Comments: Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands. Inorganic chemistry 53(8) (2014) 4192-4201
Space group: R -3
Cell volume: 8420
Cell parameters: 31.9572; 31.9572; 9.5202; 90; 90; 120;  

COD ID: 4338513
CIF file Formula: - F31 K7 U6 -
Comments: Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13. Inorganic chemistry 53(12) (2014) 6289-6298
Space group: R -3
Cell volume: 2062.4
Cell parameters: 15.1426; 15.1426; 10.3856; 90; 90; 120;  

COD ID: 4338840
CIF file Formula: - Mg3 Mo18 Se24 -
Comments: Levi, E.; Mitelman, A.; Aurbach, D.; Isnard, O. On the mechanism of triclinic distortion in Chevrel Phase as probed by in-situ neutron diffraction. Inorganic chemistry 46(18) (2007) 7528-7535
Space group: R -3
Cell volume: 928.82
Cell parameters: 9.8489; 9.8489; 11.0567; 90; 90; 120;  

COD ID: 4340372
CIF file Formula: - C53 H53 Cl6 Cu3 N3 O12 -
Comments: Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons. Inorganic chemistry 53(14) (2014) 7276-7287
Space group: R -3
Cell volume: 33924.6
Cell parameters: 31.932; 31.932; 38.4178; 90; 90; 120;  

COD ID: 4340374
CIF file Formula: - C20 H22 Cl6 Cu N O4.33 P0.33 -
Comments: Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons. Inorganic chemistry 53(14) (2014) 7276-7287
Space group: R -3
Cell volume: 13235.3
Cell parameters: 22.1525; 22.1525; 31.1429; 90; 90; 120;  

COD ID: 4342142
CIF file Formula: - C21 H21 Ga2 N3 -
Comments: Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum. Inorganic chemistry 54(4) (2015) 2000-2008
Space group: R -3
Cell volume: 10690.4
Cell parameters: 19.2352; 19.2352; 33.3633; 90; 90; 120;  

COD ID: 4342488
CIF file Formula: - C540 H471 B24 Co12 F96 N108 O37.5 -
Comments: Cullen, William; Hunter, Christopher A.; Ward, Michael D. An Interconverting Family of Coordination Cages and a meso-Helicate; Effects of Temperature, Concentration, and Solvent on the Product Distribution of a Self-Assembly Process. Inorganic chemistry 54(6) (2015) 2626-2637
Space group: R -3
Cell volume: 118768
Cell parameters: 44.705; 44.705; 68.621; 90; 90; 120;  

COD ID: 4343342
CIF file Formula: - C48 H36 O13.5 Zn2.83 -
Comments: Wang, Rongming; Zhang, Minghui; Liu, Xiaobin; Zhang, Liangliang; Kang, Zixi; Wang, Wen; Wang, Xiaoqing; Dai, Fangna; Sun, Daofeng Tuning the Dimensionality of Interpenetration in a Pair of Framework-Catenation Isomers To Achieve Selective Adsorption of CO2 and Fluorescent Sensing of Metal Ions. Inorganic chemistry 54(13) (2015) 6084-6086
Space group: R -3
Cell volume: 29186
Cell parameters: 29.923; 29.923; 37.639; 90; 90; 120;  

COD ID: 4343343
CIF file Formula: - C15.89 H12.89 O4.17 Zn1.33 -
Comments: Wang, Rongming; Zhang, Minghui; Liu, Xiaobin; Zhang, Liangliang; Kang, Zixi; Wang, Wen; Wang, Xiaoqing; Dai, Fangna; Sun, Daofeng Tuning the Dimensionality of Interpenetration in a Pair of Framework-Catenation Isomers To Achieve Selective Adsorption of CO2 and Fluorescent Sensing of Metal Ions. Inorganic chemistry 54(13) (2015) 6084-6086
Space group: R -3
Cell volume: 5984.8
Cell parameters: 29.706; 29.706; 7.8313; 90; 90; 120;  

COD ID: 4344413
CIF file Formula: - C116 H110 Cl2 N42 Ni8 O9 -
Comments: Luo, Dong; Zhou, Xiao-Ping; Li, Dan Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers. Inorganic chemistry 54(22) (2015) 10822-10828
Space group: R -3
Cell volume: 9388.5
Cell parameters: 15.1763; 15.1763; 47.0687; 90; 90; 120;  

COD ID: 4345055
CIF file Formula: - C48 H24 Cd6 N12 O30 S7 -
Comments: Cheng, Qing; Han, Xiao; Tong, Yue; Huang, Chao; Ding, Jie; Hou, Hongwei Two 3D Cd(II) Metal-Organic Frameworks Linked by Benzothiadiazole Dicarboxylates: Fantastic S@Cd6 Cage, Benzothiadiazole Antidimmer, and Dual Emission. Inorganic chemistry 56(3) (2017) 1696-1705
Space group: R -3
Cell volume: 6441.5
Cell parameters: 19.377; 19.377; 19.81; 90; 90; 120;  

COD ID: 4345462
CIF file Formula: - C48 H30 Cd6 N12 O33 S7 -
Comments: Cheng, Qing; Han, Xiao; Tong, Yue; Huang, Chao; Ding, Jie; Hou, Hongwei Two 3D Cd(II) Metal-Organic Frameworks Linked by Benzothiadiazole Dicarboxylates: Fantastic S@Cd6 Cage, Benzothiadiazole Antidimmer, and Dual Emission. Inorganic chemistry 56(3) (2017) 1696-1705
Space group: R -3
Cell volume: 6470.9
Cell parameters: 19.676; 19.676; 19.3; 90; 90; 120;  

COD ID: 4345793
CIF file Formula: - C45 H37 B Cu N6 P S3 -
Comments: Lam, Tsz Lung; Tso, Ken Chi-Hang; Cao, Bei; Yang, Chen; Chen, Daqing; Chang, Xiao-Yong; Huang, Jie-Sheng; Che, Chi-Ming Tripodal S-Ligand Complexes of Copper(I) as Catalysts for Alkene Aziridination, Sulfide Sulfimidation, and C-H Amination. Inorganic chemistry 56(8) (2017) 4253-4257
Space group: R -3
Cell volume: 18695.9
Cell parameters: 24.3221; 24.3221; 36.4934; 90; 90; 120;  

COD ID: 4511261
CIF file Formula: - C6 H7 Fe N O5 -
Comments: Aiyappa, Harshitha Barike; Saha, Subhadeep; Garai, Bikash; Thote, Jayshri; Kurungot, Sreekumar; Banerjee, Rahul A Distinctive PdCl2-Mediated Transformation of Fe-Based Metallogels into Metal‒Organic Frameworks Crystal Growth & Design 14(7) (2014) 3434
Space group: R -3
Cell volume: 3628.5
Cell parameters: 14.0339; 14.0339; 21.2738; 90; 90; 120;  

COD ID: 5910080
CIF file Formula: - Co O3 Ti -
Comments: Wyckoff, R. W. G. Pages 54 & 61 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935 The second edition supplement of The Structure of Crystals (1935) 54-61
Space group: R -3
Cell volume: 115.46
Cell parameters: 5.49; 5.49; 5.49; 59.42; 59.42; 59.42;  

COD ID: 5910097
CIF file Formula: - Cl3 Fe -
Comments: Wyckoff, R. W. G. Page 38 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold PublishingCorporation, INC, Camden,N. J. in 1935 & http://database.iem.ac.ru/mincryst/ The second edition supplement of The Structure of Crystals (1935) 38-38
Space group: R -3
Cell volume: 173.426
Cell parameters: 6.69; 6.69; 6.69; 52.3; 52.3; 52.3;  

COD ID: 5910103
CIF file Formula: - O4 Si Zn2 -
Comments: Wyckoff, R. W. G. Page 326 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 The second edition of Structure of Crystals (1931) 326-326
Space group: R -3
Cell volume: 528.568
Cell parameters: 8.63; 8.63; 8.63; 107.45; 107.45; 107.45;  

COD ID: 5910141
CIF file Formula: - As I3 -
Comments: Wyckoff, R. W. G. Pages 37 & 38 from the second edition supplement of The Structure of Crystals by Wyckoff R W G. published by Reinhold Publishing Corporation, INC,Camden,N. J. in 1935 The second edition supplement of The Structure of Crystals (1935) 37-38
Space group: R -3
Cell volume: 607.485
Cell parameters: 10.272; 10.272; 10.272; 51.2; 51.2; 51.2;  

COD ID: 6000151
CIF file Formula: - Cl18 Nb6 Rb Ti -
Comments: Nägele, A.; Anokhina, E.; Sitar, J.; Meyer, H. J.; Lachgar, A. Synthesis and crystal structures of ATi[Nb~6~Cl~18~] compounds (A = K, Rb, Cs, In, Tl) Zeitschrift für Naturforschung B 55(2) (2000) 139-144
Space group: R -3
Cell volume: 1818.82
Cell parameters: 9.163; 9.163; 25.014; 90; 90; 120;  

COD ID: 6000417
CIF file Formula: - F6 Nb V -
Comments: Goubard, F.; Bizot, D.; Chassaing, J. Powder diffraction data for niobium iv hexafluorides: VNbF6 and CrNbF6 Powder Diffraction 13 (1998) 132-133
Space group: R -3
Cell volume: 369.09
Cell parameters: 5.52; 5.52; 13.987; 90; 90; 120;  

COD ID: 6000767
CIF file Formula: - Cr H24 La N6 O30 -
Comments: Gobichon, A. E.; Auffredic, J. P.; Louer, D. A temperature-dependent powder diffraction study of chromium lanthanum nitrate, LaCr(NO3)(6).12H(2)O Powder Diffraction 15 (2000) 23-25
Space group: R -3
Cell volume: 1750.17
Cell parameters: 10.9564; 10.9564; 16.835; 90; 90; 120;  

COD ID: 7028391
CIF file Formula: - C51 H45 Ag3 F18 N12 O21 S6 -
Comments: Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands. Dalton transactions (Cambridge, England : 2003) 43(4) (2014) 1589-1598
Space group: R -3
Cell volume: 31909.5
Cell parameters: 25.5554; 25.5554; 56.4189; 90; 90; 120;  

COD ID: 7028420
CIF file Formula: - C27.5 H27.5 Al Cl1.5 O9 -
Comments: Li, Tianrong; Fang, Ran; Wang, Baodui; Shao, Yongliang; Liu, Jian; Zhang, Shouting; Yang, Zhengyin A simple coumarin as a turn-on fluorescence sensor for Al(iii) ions. Dalton transactions (Cambridge, England : 2003) 43(7) (2014) 2741-2743
Space group: R -3
Cell volume: 8532.3
Cell parameters: 13.709; 13.709; 52.4235; 90; 90; 120;  

COD ID: 7028762
CIF file Formula: - C1.17 H2.39 Co O3 -
Comments: Gao, Junkuo; Bai, Linlu; Zhang, Qian; Li, Yongxin; Rakesh, Ganguly; Lee, Jong-Min; Yang, Yanhui; Zhang, Qichun Co6(μ3-OH)6 cluster based coordination polymer as an effective heterogeneous catalyst for aerobic epoxidation of alkenes. Dalton transactions (Cambridge, England : 2003) 43(6) (2014) 2559-2565
Space group: R -3
Cell volume: 1395.02
Cell parameters: 11.77382; 11.77382; 11.6202; 90; 90; 120;  

COD ID: 7030974
CIF file Formula: - C71 H66 N6 O12 P2 V3 -
Comments: Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli Di-, tri- and tetranuclear molecular vanadium phosphonates: a chloride encapsulated tetranuclear bowl. Dalton transactions (Cambridge, England : 2003) 43(28) (2014) 10898-10909
Space group: R -3
Cell volume: 12035
Cell parameters: 17.454; 17.454; 45.618; 90; 90; 120;  

COD ID: 7032807
CIF file Formula: - C60 H42 Cd2 N9 O3 -
Comments: Zhang, Liyan; Sun, Liying; Li, Xinyuan; Tian, Yulan; Yuan, Guozan Five 8-hydroxyquinolinate-based coordination polymers with tunable structures and photoluminescent properties for sensing nitroaromatics. Dalton transactions (Cambridge, England : 2003) 44(1) (2015) 401-410
Space group: R -3
Cell volume: 9913.7
Cell parameters: 30.7574; 30.7574; 12.1006; 90; 90; 120;  

COD ID: 7032966
CIF file Formula: - C42 H32 Fe3 Mn3 N18 O4 -
Comments: Zhuang, Peng-Fei; Liu, Tao; Xie, Xian-Hui; He, Cheng; Duan, Chun-Ying A cyano-bridged tubular coordination polymer with dominant ferromagnetic interactions. Dalton transactions (Cambridge, England : 2003) 44(2) (2015) 464-467
Space group: R -3
Cell volume: 7234
Cell parameters: 29.511; 29.511; 9.591; 90; 90; 120;  

COD ID: 7034458
CIF file Formula: - C12.55 H31.38 Al F12 Li3 O15.14 P6 -
Comments: Schulz, Christoph; Eiden, Philipp; Klose, Petra; Ermantraut, Andreas; Schmidt, Michael; Garsuch, Arnd; Krossing, Ingo Homoleptic borates and aluminates containing the difluorophosphato ligand - [M(O2PF2)x](y-) - synthesis and characterization. Dalton transactions (Cambridge, England : 2003) 44(15) (2015) 7048-7057
Space group: R -3
Cell volume: 5639.6
Cell parameters: 17.4058; 17.4058; 21.4947; 90; 90; 120;  

COD ID: 7035359
CIF file Formula: - C61 H58.5 As6 Br6 Cu2 I2 N3.5 -
Comments: Adachi, Hiroki; Imoto, Hiroaki; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke As-stereogenic C2-symmetric organoarsines: synthesis and enantioselective self-assembly into a dinuclear triple-stranded helicate with copper iodide. Dalton transactions (Cambridge, England : 2003) 44(35) (2015) 15372-15376
Space group: R -3
Cell volume: 10854.7
Cell parameters: 18.0767; 18.0767; 38.3573; 90; 90; 120;  

COD ID: 7036124
CIF file Formula: - C43 H67 Cl6 N9 O7 Ru3 S6 -
Comments: Battistin, Federica; Balducci, Gabriele; Demitri, Nicola; Iengo, Elisabetta; Milani, Barbara; Alessio, Enzo (15)N NMR spectroscopy unambiguously establishes the coordination mode of the diimine linker 2-(2'-pyridyl)pyrimidine-4-carboxylic acid (cppH) in Ru(ii) complexes. Dalton transactions (Cambridge, England : 2003) 44(35) (2015) 15671-15682
Space group: R -3
Cell volume: 8950
Cell parameters: 23.066; 23.066; 19.425; 90; 90; 120;  

COD ID: 7037601
CIF file Formula: - C70.5 H78 F27 N12 Sm3 -
Comments: Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides. Dalton transactions (Cambridge, England : 2003) 45(4) (2016) 1422-1435
Space group: R -3
Cell volume: 22897
Cell parameters: 22.323; 22.323; 53.058; 90; 90; 120;  

COD ID: 7038345
CIF file Formula: - C48.5 H64.5 B2 F2 Fe N6 O10 P2 S2 -
Comments: Artyushin, Oleg I.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Voloshin, Yan Z. Clathrochelates meet phosphorus. New thio- and phosphorylation reactions of an iron(ii) dichloroclathrochelate precursor and preparation of its first phosphorus(iii)-containing macrobicyclic derivative. Dalton transactions (Cambridge, England : 2003) 45(12) (2016) 5328-5333
Space group: R -3
Cell volume: 30955
Cell parameters: 38.5967; 38.5967; 23.9936; 90; 90; 120;  

COD ID: 7040352
CIF file Formula: - C113 H88 F12 Ir2 N12 P2 S4 -
Comments: Tripathy, Suman Kumar; De, Umasankar; Dehury, Niranjan; Laha, Paltan; Panda, Manas Kumar; Kim, Hyung Sik; Patra, Srikanta Cyclometallated iridium complexes inducing paraptotic cell death like natural products: synthesis, structure and mechanistic aspects. Dalton transactions (Cambridge, England : 2003) 45(38) (2016) 15122-15136
Space group: R -3
Cell volume: 25145
Cell parameters: 49.358; 49.358; 11.9179; 90; 90; 120;  

COD ID: 7041480
CIF file Formula: - C31 H40 Si3 -
Comments: Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. Poly-Lewis-acids based on bowl-shaped tribenzotriquinacene. Dalton transactions (Cambridge, England : 2003) 46(4) (2017) 1112-1123
Space group: R -3
Cell volume: 4176.87
Cell parameters: 10.20063; 10.20063; 46.3518; 90; 90; 120;  

COD ID: 7041582
CIF file Formula: - C42 H79.76 Cl6 Cu6 N12 S6 -
Comments: Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Garcia-Santos, Isabel; Hundal, Geeta; Kaur, Manpreet; Smolenski, Victoria A.; Jasinski, Jerry P. Variable coordination and C-S bond cleavage activity of N-substituted imidazolidine-2-thiones towards copper: synthesis, spectroscopy, structures, ESI-mass and antimicrobial studies. Dalton transactions (Cambridge, England : 2003) 46(4) (2017) 1324-1339
Space group: R -3
Cell volume: 4730.8
Cell parameters: 17.5632; 17.5632; 17.7092; 90; 90; 120;  

COD ID: 7041625
CIF file Formula: - C24 H21.96 Si -
Comments: Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W. Tridentate Lewis-acids based on triphenylsilane. Dalton transactions (Cambridge, England : 2003) 46(5) (2017) 1645-1659
Space group: R -3
Cell volume: 11960.3
Cell parameters: 23.2777; 23.2777; 25.4877; 90; 90; 120;  

COD ID: 7041629
CIF file Formula: - C42 H30 F16 Si4 -
Comments: Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W. Tridentate Lewis-acids based on triphenylsilane. Dalton transactions (Cambridge, England : 2003) 46(5) (2017) 1645-1659
Space group: R -3
Cell volume: 12246.7
Cell parameters: 20.81418; 20.81418; 32.64138; 90; 90; 120;  

COD ID: 7041637
CIF file Formula: - C24 H21 F Si -
Comments: Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W. Tridentate Lewis-acids based on triphenylsilane. Dalton transactions (Cambridge, England : 2003) 46(5) (2017) 1645-1659
Space group: R -3
Cell volume: 11893
Cell parameters: 23.2278; 23.2278; 25.4534; 90; 90; 120;  

COD ID: 7041679
CIF file Formula: - C14 H16 Cd2 N2 O8 -
Comments: Zheng, Tian-Tian; Zhao, Jiao; Fang, Zhou-Wen; Li, Meng-Ting; Sun, Chun-Yi; Li, Xiao; Wang, Xin-Long; Su, Zhong-Min A luminescent metal organic framework with high sensitivity for detecting and removing copper ions from simulated biological fluids. Dalton transactions (Cambridge, England : 2003) 46(8) (2017) 2456-2461
Space group: R -3
Cell volume: 4532.1
Cell parameters: 26.888; 26.888; 7.2385; 90; 90; 120;  

COD ID: 7041725
CIF file Formula: - C42.42 H44.42 Co I N8.08 O4 U -
Comments: Chatelain, Lucile; Tuna, Floriana; Pécaut, Jacques; Mazzanti, Marinella Synthesis and SMM behaviour of trinuclear versus dinuclear 3d-5f uranyl(v)-cobalt(ii) cation-cation complexes. Dalton transactions (Cambridge, England : 2003) 46(17) (2017) 5498-5502
Space group: R -3
Cell volume: 19728.4
Cell parameters: 43.0624; 43.0624; 12.2847; 90; 90; 120;  

COD ID: 7043772
CIF file Formula: - C119 H159 La6 N30 O13 -
Comments: Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone. Dalton transactions (Cambridge, England : 2003) (2017)
Space group: R -3
Cell volume: 41552
Cell parameters: 61.727; 61.727; 12.5925; 90; 90; 120;  

COD ID: 7043827
CIF file Formula: - C30 H48 Cl2 Co N4 -
Comments: Iannuzzi, Theresa E.; Gao, Yafei; Baker, Tessa M.; Deng, Liang; Neidig, Michael L. Magnetic circular dichroism and density functional theory studies of electronic structure and bonding in cobalt(II)-N-heterocyclic carbene complexes Dalton Trans. (2017)
Space group: R -3
Cell volume: 17054.7
Cell parameters: 28.0964; 28.0964; 24.9467; 90; 90; 120;  

COD ID: 7043869
CIF file Formula: - C48 H27 As O -
Comments: Behm, Kira; Essner, Jeremy B.; Barnes, Charles L.; Baker, Gary A.; Walensky, Justin R. Synthesis and fluorescence spectroscopy of tris(pyrenyl)pnictogen compounds Dalton Trans. (2017)
Space group: R -3
Cell volume: 6586.3
Cell parameters: 19.8301; 19.8301; 19.3402; 90; 90; 120;  

COD ID: 7043870
CIF file Formula: - C48 H27 O1.5 P -
Comments: Behm, Kira; Essner, Jeremy B.; Barnes, Charles L.; Baker, Gary A.; Walensky, Justin R. Synthesis and fluorescence spectroscopy of tris(pyrenyl)pnictogen compounds Dalton Trans. (2017)
Space group: R -3
Cell volume: 6519
Cell parameters: 19.6411; 19.6411; 19.5128; 90; 90; 120;  

COD ID: 7044162
CIF file Formula: - C44 H78 Co N12 O6 S2 -
Comments: Sniekers, Jeroen; Geysens, Pieter; Malaquias, Joao; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen Cobalt(II) containing liquid metal salts for electrodeposition of cobalt and electrochemical nanoparticle formation Dalton Trans. (2017)
Space group: R -3
Cell volume: 4081.8
Cell parameters: 13.4995; 13.4995; 25.8633; 90; 90; 120;  

COD ID: 7044219
CIF file Formula: - C44 H46 B4 N24 O4 Y2 -
Comments: Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes Dalton Trans. (2017)
Space group: R -3
Cell volume: 27743
Cell parameters: 49.226; 49.226; 13.22; 90; 90; 120;  

COD ID: 7044580
CIF file Formula: - H13 I0.5 O37 W9 -
Comments: Zhang, Fuqiang; Gao, Jin-Ping; Yan, Li-Kai; Guan, Wei; Yao, Ru-Xin; Zhang, Xian-Ming Unveil the Relative Stability and Proton Binding of Non-Classical Wells-Dawson Isomers of [(NaF6)W18O54(OH)2]7‒ and [(SbO6)W18O54(OH)2]9‒: A DFT Study Dalton Trans. (2017)
Space group: R -3
Cell volume: 15746.7
Cell parameters: 37.307; 37.307; 13.0641; 90; 90; 120;  

COD ID: 7045145
CIF file Formula: - C168 H216 Br73 N24 Pb24.5 -
Comments: Sun, Cai; Du, Ming-Xiu; Xu, Jian-Gang; Mao, Fei-Fei; Wang, Ming-Sheng; Guo, Guo-Cong A nanowire array with two types of bromoplumbate chains and high anisotropic conductance Dalton Transactions (2018)
Space group: R -3
Cell volume: 22530.9
Cell parameters: 47.1755; 47.1755; 11.69; 90; 90; 120;  

COD ID: 7045501
CIF file Formula: - C54 H42 Cd N14 -
Comments: Fu, Hong-Ru; Zhao, Ying; zhou, zhan; Yang, Xiao-Gang; ma, lufang Neutral ligand TIPA-based two 2D metal-organic frameworks: ultrahigh selectivity of C2H2/CH4 and efficient sensing and sorption of Cr(VI) Dalton Transactions (2018)
Space group: R -3
Cell volume: 5116.3
Cell parameters: 16.5393; 16.5393; 21.597; 90; 90; 120;  

COD ID: 7045546
CIF file Formula: - C36 H37 Cl2 Dy F9 N5 O14 S3 -
Comments: Selvanathan, Pramila; Dorcet, Vincent; Roisnel, Thierry; Bernot, Kevin; Huang, Gang; Le Guennic, Boris; Norel, Lucie; Rigaut, Stephane Trans to cis photo-isomerization in merocyanine dysprosium and yttrium complexes Dalton Transactions (2018)
Space group: R -3
Cell volume: 22526.9
Cell parameters: 47.4786; 47.4786; 11.5392; 90; 90; 120;  

COD ID: 7045547
CIF file Formula: - C35 H33 Cl2 F6 N5 O11 S2 Y -
Comments: Selvanathan, Pramila; Dorcet, Vincent; Roisnel, Thierry; Bernot, Kevin; Huang, Gang; Le Guennic, Boris; Norel, Lucie; Rigaut, Stephane Trans to cis photo-isomerization in merocyanine dysprosium and yttrium complexes Dalton Transactions (2018)
Space group: R -3
Cell volume: 22482
Cell parameters: 47.523; 47.523; 11.4949; 90; 90; 120;  

COD ID: 7045868
CIF file Formula: - C79 H100 Cl4 Cr2 N12 Ni5 O35 -
Comments: Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K. Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn) Dalton Transactions (2018)
Space group: R -3
Cell volume: 6895.4
Cell parameters: 14.6131; 14.6131; 37.2857; 90; 90; 120;  

COD ID: 7045869
CIF file Formula: - C80 H104 Al2 Cl4 N12 O36 Zn5 -
Comments: Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K. Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn) Dalton Transactions (2018)
Space group: R -3
Cell volume: 6919.5
Cell parameters: 14.4962; 14.4962; 38.022; 90; 90; 120;  

COD ID: 7045870
CIF file Formula: - C81 H108 Al2 Cl4 N12 Ni5 O37 -
Comments: Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K. Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn) Dalton Transactions (2018)
Space group: R -3
Cell volume: 6935.77
Cell parameters: 14.5316; 14.5316; 37.926; 90; 90; 120;  

COD ID: 7045871
CIF file Formula: - C81 H108 Cl4 Cr2 N12 O37 Zn5 -
Comments: Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K. Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn) Dalton Transactions (2018)
Space group: R -3
Cell volume: 6963.4
Cell parameters: 14.592; 14.592; 37.7623; 90; 90; 120;  

COD ID: 7047067
CIF file Formula: - C23 H26 B Ir N4 -
Comments: Da Costa, Rosenildo Correa; Rawe, Benjamin W.; Tsoureas, Nikolaos; Haddow, Mairi F.; Sparkes, Hazel Anne; Tizzard, Graham J.; Coles, Simon; Owen, Gareth Richard Preparation and Reactivity of Rhodium and Iridium Complexes Containing a Methylborohydride Based Unit Supported by Two 7-Azaindolyl Heterocycles Dalton Transactions (2018)
Space group: R -3
Cell volume: 9423
Cell parameters: 26.968; 26.968; 14.961; 90; 90; 120;  

COD ID: 7047231
CIF file Formula: - C54 H33 F12 In N6 O3 -
Comments: Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives Dalton Transactions (2018)
Space group: R -3
Cell volume: 7291
Cell parameters: 23.433; 23.433; 15.332; 90; 90; 120;  

COD ID: 7047233
CIF file Formula: - C57 H45 F12 Fe N6 O3 -
Comments: Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives Dalton Transactions (2018)
Space group: R -3
Cell volume: 7576.1
Cell parameters: 24.002; 24.002; 15.1852; 90; 90; 120;  

COD ID: 7047235
CIF file Formula: - C57 H45 F12 Ga N6 O3 -
Comments: Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives Dalton Transactions (2018)
Space group: R -3
Cell volume: 7664.6
Cell parameters: 24.0883; 24.0883; 15.2527; 90; 90; 120;  

COD ID: 7048359
CIF file Formula: - C36 H88 Cl4 Co9 N6 O36 -
Comments: Collet, Alexandra; Wilson, Claire; Murrie, Mark Microwave−assisted synthesis: from a mononuclear {CoII} complex to {CoII9} solvomorphs Dalton Transactions (2018)
Space group: R -3
Cell volume: 15611.2
Cell parameters: 39.2116; 39.2116; 11.724; 90; 90; 120;  

COD ID: 7048713
CIF file Formula: - C22 H38 N4 O4 P4 -
Comments: Pandey, Madhusudan K.; Kunchur, Harish S.; Ananthnag, GS; Mague, Joel T.; Balakrishna, Maravanji Shivaramaiah Catechol and 1,2,4,5-tetrahydroxybenzene functionalized cyclodiphosphazane ligands: synthesis, structural studies, and transition metal complexesɸ Dalton Transactions (2019)
Space group: R -3
Cell volume: 6616.8
Cell parameters: 34.968; 34.968; 6.2485; 90; 90; 120;  

COD ID: 7049156
CIF file Formula: - C90 H112 N O4 Ti -
Comments: Bae, Dae Young; Park, Gyeong Su; Ko, Nakeun; Son, Kyung-sun; Lee, Eunsung First-row early transition metal complexes with a highly sterically demanding triisopropylphenyl amino triphenolate ligand: synthesis and applications Dalton Transactions (2019)
Space group: R -3
Cell volume: 11815.5
Cell parameters: 23.4039; 23.4039; 24.9083; 90; 90; 120;  

COD ID: 7054489
CIF file Formula: - C9 H17 Cl N2 -
Comments: Maton, C.; Van Hecke, K.; Stevens, C. V. Peralkylated imidazolium carbonate ionic liquids: synthesis using dimethyl carbonate, reactivity and structure New J. Chem. 39(1) (2015) 461
Space group: R -3
Cell volume: 4933.9
Cell parameters: 19.8873; 19.8873; 14.4048; 90; 90; 120;  

COD ID: 7054498
CIF file Formula: - C29.33 H26 N3 O6.17 -
Comments: Haddad, Saoussen; Boudriga, Sarra; Akhaja, Tarunkumar Nanjibhai; Raval, Jignesh Priyakant; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Rajani, Dhanji A strategic approach to the synthesis of functionalized spirooxindole pyrrolidine derivatives: in vitro antibacterial, antifungal, antimalarial and antitubercular studies New J. Chem. 39(1) (2015) 520
Space group: R -3
Cell volume: 11124.1
Cell parameters: 28.3533; 28.3533; 15.9781; 90; 90; 120;  

COD ID: 7054597
CIF file Formula: - C51 H76 Cl2 P2 Ru -
Comments: Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem. 39(3) (2015) 1858
Space group: R -3
Cell volume: 25730.9
Cell parameters: 46.1591; 46.1591; 13.9447; 90; 90; 120;  

COD ID: 7054601
CIF file Formula: - C53 H80 Cl2 P2 Ru -
Comments: Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem. 39(3) (2015) 1858
Space group: R -3
Cell volume: 26318.6
Cell parameters: 47.1514; 47.1514; 13.6692; 90; 90; 120;  

COD ID: 7054602
CIF file Formula: - C55 H78 Cl2 P2 Ru -
Comments: Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem. 39(3) (2015) 1858
Space group: R -3
Cell volume: 25759.5
Cell parameters: 46.042; 46.042; 14.0313; 90; 90; 120;  

COD ID: 7054603
CIF file Formula: - C51 H75 Cl2 F P2 Ru -
Comments: Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols New J. Chem. 39(3) (2015) 1858
Space group: R -3
Cell volume: 25398
Cell parameters: 45.479; 45.479; 14.179; 90; 90; 120;  

COD ID: 7054884
CIF file Formula: - C45 H33 Cl6 N9 Zn3 -
Comments: Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand New J. Chem. 39(8) (2015) 6016
Space group: R -3
Cell volume: 7366.3
Cell parameters: 18.1422; 18.1422; 25.8426; 90; 90; 120;  

COD ID: 7054885
CIF file Formula: - C92 H68 Cd6 Cl18 N18 O0.5 -
Comments: Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand New J. Chem. 39(8) (2015) 6016
Space group: R -3
Cell volume: 7200.5
Cell parameters: 16.1561; 16.1561; 31.8535; 90; 90; 120;  

COD ID: 7054886
CIF file Formula: - C45 H33 Br8 Hg4 N9 -
Comments: Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand New J. Chem. 39(8) (2015) 6016
Space group: R -3
Cell volume: 7650.4
Cell parameters: 17.976; 17.976; 27.338; 90; 90; 120;  

COD ID: 7054887
CIF file Formula: - C45 H33 Hg4 I8 N9 -
Comments: Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand New J. Chem. 39(8) (2015) 6016
Space group: R -3
Cell volume: 8456.2
Cell parameters: 18.3083; 18.3083; 29.1307; 90; 90; 120;  

COD ID: 7057423
CIF file Formula: - C15 H19 Br2 N3 O -
Comments: Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu. Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions New Journal of Chemistry (2018)
Space group: R -3
Cell volume: 7520.5
Cell parameters: 36.6338; 36.6338; 6.4707; 90; 90; 120;  

COD ID: 7057869
CIF file Formula: - C44 H60 Co4 N16 O8 -
Comments: Das, Avijit; Goswami, Soumyabrata; Ghosh, Ashutosh Rare azido and hydroxido bridged tetranuclear Co(II) complexes of a polynucleating Mannich base ligand with defect dicubane core: Structures, magnetism and phenoxazinone synthase like activity New Journal of Chemistry (2018)
Space group: R -3
Cell volume: 12447.4
Cell parameters: 32.2276; 32.2276; 13.8386; 90; 90; 120;  

COD ID: 7108619
CIF file Formula: - C16 H10 Cu N4 O4 -
Comments: Chris S. Hawes; Ravichandar Babarao; Matthew R. Hill; Keith F. White; Brendan F. Abrahams; Paul E. Kruger Hysteretic carbon dioxide sorption in a novel copper(II)-indazole-carboxylate porous coordination polymer Chem.Commun. 48 (2012) 11558
Space group: R -3
Cell volume: 4708.97
Cell parameters: 33.6525; 33.6525; 4.80132; 90; 90; 120;  

COD ID: 7108620
CIF file Formula: - C16 H10 Cu N4 O4 -
Comments: Chris S. Hawes; Ravichandar Babarao; Matthew R. Hill; Keith F. White; Brendan F. Abrahams; Paul E. Kruger Hysteretic carbon dioxide sorption in a novel copper(II)-indazole-carboxylate porous coordination polymer Chem.Commun. 48 (2012) 11558
Space group: R -3
Cell volume: 4708.4
Cell parameters: 33.6966; 33.6966; 4.78817; 90; 90; 120;  

COD ID: 7110090
CIF file Formula: - C258 H414 B240 Cu24 N6 O120 -
Comments: Daniel J. Clingerman; Robert D. Kennedy; Joseph E. Mondloch; Amy A. Sarjeant; Joseph T. Hupp; Omar K. Farha; Chad A. Mirkin An exceptionally high boron content supramolecular cuboctahedron Chem.Commun. 49 (2013) 11485
Space group: R -3
Cell volume: 69662
Cell parameters: 31.498; 31.498; 81.077; 90; 90; 120;  

COD ID: 7115755
CIF file Formula: - C32 H34 N2 -
Comments: Di Wu; Yongxin Li; Rakesh Ganguly; Rei Kinjo Synthesis and structural characterization of a C4 cumulene including 4-pyridylidene units, and its reactivity towards ammonia-borane Chem.Commun. 50 (2014) 12378
Space group: R -3
Cell volume: 5817.6
Cell parameters: 23.567; 23.567; 12.095; 90; 90; 120;  

COD ID: 7115756
CIF file Formula: - C32 H36 N2 -
Comments: Di Wu; Yongxin Li; Rakesh Ganguly; Rei Kinjo Synthesis and structural characterization of a C4 cumulene including 4-pyridylidene units, and its reactivity towards ammonia-borane Chem.Commun. 50 (2014) 12378
Space group: R -3
Cell volume: 5795.7
Cell parameters: 23.7045; 23.7045; 11.91; 90; 90; 120;  

COD ID: 7117019
CIF file Formula: - C36 H24 Co3 Mn3 N17 Na O19 -
Comments: Jiang Liu; Mei Qu; Rodolphe Clerac; Xian Ming Zhang A two-dimensional honeycomb coordination network based on fused triacontanuclear heterometallic {Co12Mn18} wheels Chem.Commun. 51 (2015) 7356
Space group: R -3
Cell volume: 8248.2
Cell parameters: 17.343; 17.343; 31.6652; 90; 90; 120;  

COD ID: 7117210
CIF file Formula: - C67.99 H56.99 F11.99 N14 O P2 Ru -
Comments: E. Rousset; D. Chartrand; I. Ciofini; V. Marvaud; G. S. Hanan Red-light-driven photocatalytic hydrogen evolution using a ruthenium quaterpyridine complex Chem.Commun. 51 (2015) 9261
Space group: R -3
Cell volume: 11953.9
Cell parameters: 17.6408; 17.6408; 44.355; 90; 90; 120;  

COD ID: 7117766
CIF file Formula: - C168 H162 Ag3 F18 N18 P3 -
Comments: Mejuto, Carmen; Guisado-Barrios, Gregorio; Gusev, Dmitry; Peris, Eduardo First homoleptic MIC and heteroleptic NHC-MIC coordination cages from 1,3,5-triphenylbenzene-bridged tris-MIC and tris-NHC ligands. Chemical communications (Cambridge, England) 51(73) (2015) 13914-13917
Space group: R -3
Cell volume: 28534
Cell parameters: 35.4661; 35.4661; 26.194; 90; 90; 120;  

COD ID: 7118344
CIF file Formula: - C184 H162 Co6 Mn6 N24 O32 S8 -
Comments: Jeon, Ie-Rang; David Harris, T. An S = 12 semiquinoid radical-bridged Mn6 wheel complex assembled from an asymmetric redox-active bridging ligand. Chemical communications (Cambridge, England) 52(5) (2016) 1006-1008
Space group: R -3
Cell volume: 12629.9
Cell parameters: 23.1209; 23.1209; 27.281; 90; 90; 120;  

COD ID: 7120318
CIF file Formula: - C67 H87 Al K N6 P3 -
Comments: Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds Chem. Commun. (2017)
Space group: R -3
Cell volume: 9950.6
Cell parameters: 18.394; 18.394; 33.9598; 90; 90; 120;  

COD ID: 7120357
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8715.2
Cell parameters: 26.055; 26.055; 14.824; 90; 90; 120;  

COD ID: 7120358
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8421
Cell parameters: 25.68; 25.68; 14.745; 90; 90; 120;  

COD ID: 7120359
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8644
Cell parameters: 25.963; 25.963; 14.808; 90; 90; 120;  

COD ID: 7120360
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8353
Cell parameters: 25.585; 25.585; 14.734; 90; 90; 120;  

COD ID: 7120361
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8280
Cell parameters: 25.473; 25.473; 14.735; 90; 90; 120;  

COD ID: 7120362
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8308
Cell parameters: 25.514; 25.514; 14.737; 90; 90; 120;  

COD ID: 7120363
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8673
Cell parameters: 25.999; 25.999; 14.815; 90; 90; 120;  

COD ID: 7120364
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8625
Cell parameters: 25.94; 25.94; 14.801; 90; 90; 120;  

COD ID: 7120365
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8324
Cell parameters: 25.543; 25.543; 14.731; 90; 90; 120;  

COD ID: 7120366
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8298
Cell parameters: 25.5; 25.5; 14.736; 90; 90; 120;  

COD ID: 7120367
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8231.3
Cell parameters: 25.3984; 25.3984; 14.7341; 90; 90; 120;  

COD ID: 7120368
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8681
Cell parameters: 26.01; 26.01; 14.817; 90; 90; 120;  

COD ID: 7120369
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8592
Cell parameters: 25.9; 25.9; 14.79; 90; 90; 120;  

COD ID: 7120370
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8313
Cell parameters: 25.525; 25.525; 14.733; 90; 90; 120;  

COD ID: 7120371
CIF file Formula: - C108 H84 Fe3 N42 S6 -
Comments: Pittala, Narsimhulu; Thétiot, Franck; Charles, Catherine; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu Unprecedented trinuclear FeII triazole-based complex exhibiting a concerted and complete sharp spin transition above room temperature Chem. Commun. (2017)
Space group: R -3
Cell volume: 8663
Cell parameters: 25.986; 25.986; 14.814; 90; 90; 120;  

COD ID: 7120622
CIF file Formula: - C74 H118 Ca2 I2 N4 O4 -
Comments: Causero, Andrea; Elsen, Holger; Ballmann, Gerd; Escalona, Ana; Harder, Sjoerd Calcium stilbene complexes: structures and dual reactivity Chem. Commun. (2017)
Space group: R -3
Cell volume: 17239.8
Cell parameters: 29.2848; 29.2848; 23.2122; 90; 90; 120;  

COD ID: 7121005
CIF file Formula: - C36 H33 Cl Cu N7 -
Comments: Dahl, E. W.; Dong, H. T.; Szymczak, N. K. Phenylamino derivatives of tris(2-pyridylmethyl)amine: hydrogen-bonded peroxodicopper complexes Chemical Communications (2018)
Space group: R -3
Cell volume: 4803.6
Cell parameters: 13.2938; 13.2938; 31.3861; 90; 90; 120;  

COD ID: 7121141
CIF file Formula: - C2.5 H4.25 Mn0.5 N0.5 O2.75 P0.5 -
Comments: Yang, Yang; Gao, Chaoying; Tian, Hong-Rui; Ai, Jing; Min, Xue; Sun, Zhong-Ming A highly stable MnII phosphonate as highly efficient catalyst for CO2 fixation under ambient conditions Chemical Communications (2018)
Space group: R -3
Cell volume: 4021
Cell parameters: 28.9848; 28.9848; 5.5266; 90; 90; 120;  

COD ID: 7121550
CIF file Formula: - C26 H23 B -
Comments: Ando, Naoki; Kushida, Tomokatsu; Yamaguchi, Shigehiro A planarized B-phenyldibenzoborepin: Impacts of the structural constraint on its electronic properties and Lewis acidity Chemical Communications (2018)
Space group: R -3
Cell volume: 8218
Cell parameters: 33.652; 33.652; 8.379; 90; 90; 120;  

COD ID: 7121900
CIF file Formula: - C12 H12 N2 O2 -
Comments: Bao, Wen; Wang, Jun-Qi; Xu, Xuetao; Zhang, Bang-Hong; Liu, Wei-Ting; Lei, Lin-Sheng; Liang, Huan; Zhang, Kun; Wang, Shao-Hua Copper-Catalyzed Cyclization of 2-Cyanobenzaldehydes and 2-Isocyanoacetates: an Efficient Strategy for the Synthesis of Substituted 1-Aminoisoquinolines Chemical Communications (2018)
Space group: R -3
Cell volume: 4939
Cell parameters: 28.7013; 28.7013; 6.9232; 90; 90; 120;  

COD ID: 7122876
CIF file Formula: - C38 H46 Mo N16 Ni2 O -
Comments: Kempe, David Kenneth; Dolinar, Brian; Vignesh, Kuduva R.; Woods, Toby; Saber, Mohamed R.; Dunbar, Kim R. A cyanide-bridged wheel featuring a seven-coordinate Mo(III) center Chemical Communications (2019)
Space group: R -3
Cell volume: 24345
Cell parameters: 33.6548; 33.6548; 24.819; 90; 90; 120;  

COD ID: 7123263
CIF file Formula: - C78 H90 Li6 O6 Si6 -
Comments: Weisheim, Eugen; Weigel, Simon; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner Trifunctional organometallic frameworks and cages based on all-cis-1,3,5-triethynyl-1,3,5-trisilacyclohexanes Chemical Communications (2019)
Space group: R -3
Cell volume: 5707.96
Cell parameters: 12.1176; 12.1176; 44.8866; 90; 90; 120;  

COD ID: 7155317
CIF file Formula: - C128 H82 F12 N10 O8 P2 -
Comments: Wang, Han-Xiao; Hu, Shu-Zhen; Shi, Qiang; Chen, Chuan-Feng Complexation between a triptycene-derived oxacalixarene and π-extended viologens: linker-length-dependent orientation of the macrocycles in pseudo[3]rotaxanes. Organic & biomolecular chemistry 14(44) (2016) 10481-10488
Space group: R -3
Cell volume: 23012
Cell parameters: 31.334; 31.334; 27.064; 90; 90; 120;  

COD ID: 7155953
CIF file Formula: - C28.33 H30 N2 S -
Comments: He, Wei; Zhuang, Junpeng; Du, Hongguang; Yang, Zhanhui; Xu, Jiaxi Stereochemistry and mechanistic insights in the [2t + 2i + 2i] annulations of thioketenes and imines Org. Biomol. Chem. (2017)
Space group: R -3
Cell volume: 10473.9
Cell parameters: 35.4337; 35.4337; 9.6326; 90; 90; 120;  

COD ID: 7156032
CIF file Formula: - C23 H17 Cl N2 O3 S2 -
Comments: Ma, Fanghui; Qian, Jing; Lu, Ping; Wang, Yanguang Convenient Synthesis of 2-Amino-3-(arylthio)indoles via Rh-Catalyzed Reaction of 3-Diazoindol-2-imines with Thioesters Organic & Biomolecular Chemistry (2017)
Space group: R -3
Cell volume: 11667.8
Cell parameters: 31.822; 31.822; 13.3046; 90; 90; 120;  

COD ID: 7214268
CIF file Formula: - C162 H84 Br12 F30 N18 Zn6 -
Comments: Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A. Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture CrystEngComm 16(3) (2014) 328
Space group: R -3
Cell volume: 14755
Cell parameters: 38.394; 38.394; 11.5576; 90; 90; 120;  

COD ID: 7223522
CIF file Formula: - C122 H130 Dy2 N4 Ni2 O24 -
Comments: Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E. Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects CrystEngComm 18(5) (2016) 704
Space group: R -3
Cell volume: 23664
Cell parameters: 38.159; 38.159; 18.7654; 90; 90; 120;  

COD ID: 7223647
CIF file Formula: - C42 H24 Cd6 Cl6 N24 O2 -
Comments: Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole) CrystEngComm 18(6) (2016) 938
Space group: R -3
Cell volume: 4778.5
Cell parameters: 21.4709; 21.4709; 11.969; 90; 90; 120;  

COD ID: 7223648
CIF file Formula: - C42 H24 Cd6 I6 N24 O -
Comments: Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole) CrystEngComm 18(6) (2016) 938
Space group: R -3
Cell volume: 5023.4
Cell parameters: 22.0601; 22.0601; 11.9194; 90; 90; 120;  

COD ID: 7225182
CIF file Formula: - C144 H156 Co12 N12 O60 -
Comments: Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K. Transition metal coordination complexes of chrysazin CrystEngComm 18(27) (2016) 5121
Space group: R -3
Cell volume: 11338.2
Cell parameters: 28.6873; 28.6873; 15.9087; 90; 90; 120;  

COD ID: 7225186
CIF file Formula: - C29.33 H15.11 Cu2 N0.44 O8.44 -
Comments: Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K. Transition metal coordination complexes of chrysazin CrystEngComm 18(27) (2016) 5121
Space group: R -3
Cell volume: 5101
Cell parameters: 40.04; 40.04; 3.674; 90; 90; 120;  

COD ID: 7225190
CIF file Formula: - C144 H156 N12 Ni12 O60 -
Comments: Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K. Transition metal coordination complexes of chrysazin CrystEngComm 18(27) (2016) 5121
Space group: R -3
Cell volume: 11324.6
Cell parameters: 28.6809; 28.6809; 15.8967; 90; 90; 120;  

COD ID: 7225950
CIF file Formula: - C8 H7 N3 O2 -
Comments: Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N. Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions Green Chem. 18(17) (2016) 4623
Space group: R -3
Cell volume: 3508.1
Cell parameters: 24.304; 24.304; 6.8579; 90; 90; 120;  

COD ID: 7227333
CIF file Formula: - C14 H18 Cl N3 O Se -
Comments: Fang, Yi; Zhu, Zheng-Lin; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun Aerobic radical-cascade cycloaddition of isocyanides, selenium and imidamides: facile access to 1,2,4-selenadiazoles under metal-free conditions Green Chem. 19(7) (2017) 1613
Space group: R -3
Cell volume: 6918.3
Cell parameters: 25.4682; 25.4682; 12.316; 90; 90; 120;  

COD ID: 7227487
CIF file Formula: - C24 H45 N12 Ni2 O42 Si W11 -
Comments: Jiao, Yan-Qing; Li, Meng-Ting; Qin, Chao; Su, Zhong-Min A noncovalently connected metal‒organic framework assembled from a Ni(iii)-supported polyoxometalate‒imidazolate hybrid CrystEngComm 19(13) (2017) 1721
Space group: R -3
Cell volume: 50743
Cell parameters: 49.6795; 49.6795; 23.7404; 90; 90; 120;  

COD ID: 7228352
CIF file Formula: - C96 H120 Au2 Cu6 P2 S6 -
Comments: Kang, Xi; Li, Xiaowu; Yu, Haizhu; Lv, Ying; Sun, Guodong; Li, Yangfeng; Wang, Shuxin; Zhu, Manzhou Modulating photo-luminescence of Au2Cu6 nanoclusters via ligand-engineering RSC Adv. 7(46) (2017) 28606
Space group: R -3
Cell volume: 6925.8
Cell parameters: 20.9938; 20.9938; 18.1449; 90; 90; 120;  

COD ID: 7228399
CIF file Formula: - C26 H32 N6 S2 -
Comments: Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor‒acceptor‒donor type molecules Phys. Chem. Chem. Phys. (2017)
Space group: R -3
Cell volume: 6524.9
Cell parameters: 37.196; 37.196; 5.4457; 90; 90; 120;  

COD ID: 7228692
CIF file Formula: - C97 H144 N6 O44 Tb6 -
Comments: li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties CrystEngComm (2017)
Space group: R -3
Cell volume: 48549
Cell parameters: 26.742; 26.742; 78.391; 90; 90; 120;  

COD ID: 7228693
CIF file Formula: - C97 H144 Gd6 N6 O44 -
Comments: li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties CrystEngComm (2017)
Space group: R -3
Cell volume: 48838
Cell parameters: 26.842; 26.842; 78.271; 90; 90; 120;  

COD ID: 7228853
CIF file Formula: - C78 H66 Cd3 N12 O20 P2 -
Comments: Huo, Liangqin; Zhang, Jie; Gao, Lingling; Wang, Xiaoqing; Liming, Fan; Fang, Kegong; Hu, Tuoping Two Cadmium Coordination Polymers Based on Tris(p-carboxyphenyl) phosphane Oxide with Highly Selective Sensing of Nitrobenzene Derivatives and Hg2+ Cation CrystEngComm (2017)
Space group: R -3
Cell volume: 7397
Cell parameters: 16.783; 16.783; 30.325; 90; 90; 120;  

COD ID: 7229514
CIF file Formula: - C14 H20 As0.67 Cu Mo6 N12 O20.67 -
Comments: Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; Wang, Bo A novel 3D POMOFs based on Wells-Dawson arsenomolybdates with excellent photocatalytic and lithium-ion batteries performance CrystEngComm (2017)
Space group: R -3
Cell volume: 7972.1
Cell parameters: 25.3114; 25.3114; 14.3685; 90; 90; 120;  

COD ID: 7230210
CIF file Formula: - C41 H59.33 O12.67 -
Comments: Payne, Richard M.; Oliver, Clive L. A propanol-seamed C-methylcalix[4]resorcinarene hexamer accessible via solution crystallization, liquid-assisted grinding and vapour sorption CrystEngComm (2018)
Space group: R -3
Cell volume: 20473
Cell parameters: 33.6175; 33.6175; 20.9185; 90; 90; 120;  

COD ID: 7230395
CIF file Formula: - C27 H39 Mo12 O40 P S3 -
Comments: Kumar, Ashwani; Pradeep, Chullikkattil P. Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety CrystEngComm (2018)
Space group: R -3
Cell volume: 8596
Cell parameters: 20.3393; 20.3393; 23.9935; 90; 90; 120;  

COD ID: 7230396
CIF file Formula: - C27 H39 Mo12 O43 P S3 -
Comments: Kumar, Ashwani; Pradeep, Chullikkattil P. Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety CrystEngComm (2018)
Space group: R -3
Cell volume: 8514.1
Cell parameters: 20.1657; 20.1657; 24.1757; 90; 90; 120;  

COD ID: 7230656
CIF file Formula: - C16 H13 N O4 Zn -
Comments: Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification CrystEngComm (2018)
Space group: R -3
Cell volume: 15025
Cell parameters: 41.74; 41.74; 9.9584; 90; 90; 120;  

COD ID: 7230657
CIF file Formula: - C48 H39 N3 O12 Zn3 -
Comments: Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification CrystEngComm (2018)
Space group: R -3
Cell volume: 16260.4
Cell parameters: 42.4897; 42.4897; 10.4; 90; 90; 120;  

COD ID: 7230864
CIF file Formula: - C6 H36 Cd3 I Mo3 N18 Re3 Se8 -
Comments: Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G. Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I) CrystEngComm (2018)
Space group: R -3
Cell volume: 3144.3
Cell parameters: 15.3596; 15.3596; 15.3897; 90; 90; 120;  

COD ID: 7230865
CIF file Formula: - C6 H36 Cd3 Cl Mo3 N18 Re3 Se8 -
Comments: Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G. Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I) CrystEngComm (2018)
Space group: R -3
Cell volume: 3014
Cell parameters: 15.0363; 15.0363; 15.3935; 90; 90; 120;  

COD ID: 7230866
CIF file Formula: - C6 H36 Br Cd3 Mo3 N18 Re3 Se8 -
Comments: Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G. Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I) CrystEngComm (2018)
Space group: R -3
Cell volume: 3088.5
Cell parameters: 15.2258; 15.2258; 15.3834; 90; 90; 120;  

COD ID: 7231530
CIF file Formula: - C20 H14 Cu N4 O4 -
Comments: Behera, Jogendra Nath; Tiwari, Ranjay K. Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching CrystEngComm (2018)
Space group: R -3
Cell volume: 5405.21
Cell parameters: 18.8612; 18.8612; 17.5446; 90; 90; 120;  

COD ID: 7232360
CIF file Formula: - C14 H16 N2 O8 Zn2 -
Comments: Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release CrystEngComm (2019)
Space group: R -3
Cell volume: 3997.1
Cell parameters: 26.001; 26.001; 6.8271; 90; 90; 120;  

COD ID: 7232361
CIF file Formula: - C8 H6 Mg2 O8 -
Comments: Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release CrystEngComm (2019)
Space group: R -3
Cell volume: 3974.6
Cell parameters: 25.9434; 25.9434; 6.8189; 90; 90; 120;  

COD ID: 7232646
CIF file Formula: - C15 H16 N4 Ni O3 -
Comments: Angamuthu, Raja; Raje, Sakthi Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride Green Chemistry (2019)
Space group: R -3
Cell volume: 9535.5
Cell parameters: 30.9603; 30.9603; 11.4869; 90; 90; 120;  

COD ID: 7700035
CIF file Formula: - C44 H60 Mn4 N16 O8 -
Comments: Das, Avijit; Chakraborty, Maharudra; Maity, Souvik; Ghosh, Ashutosh The catalytic activities and magnetic behaviours of a μ3-chlorido and a μ1,1,1-azido bridged rare defective dicubane tetranuclear Mn(II) complexes Dalton Transactions (2019)
Space group: R -3
Cell volume: 12908.8
Cell parameters: 32.5215; 32.5215; 14.0934; 90; 90; 120;  


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