Crystallography Open Database

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7201822 CIFC66 H66 N12 O18 Pd3P -3 1 c22.64; 22.64; 19.219
90; 90; 120
8531.3Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.
Flattened trigonal bipyramidal coordination assembly with trans geometry
CrystEngComm, 2008, 10, 276
7202824 CIFC30 H23 Co N6 O7P -3 1 c14.2158; 14.2158; 9.4244
90; 90; 120
1649.4Stephenson, Maria D.; Hardie, Michaele J.
Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains
CrystEngComm, 2007, 9, 496
7202825 CIFC30 H21 Co N6 O6P -3 1 c14.311; 14.311; 9.5165
90; 90; 120
1687.9Stephenson, Maria D.; Hardie, Michaele J.
Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains
CrystEngComm, 2007, 9, 496
7202826 CIFC30 H23 Co N6 O7P -3 1 c14.1281; 14.1281; 9.4484
90; 90; 120
1633.26Stephenson, Maria D.; Hardie, Michaele J.
Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains
CrystEngComm, 2007, 9, 496
7202827 CIFC36 H25 Br2 Co N6 O6P -3 1 c14.2706; 14.2706; 9.4516
90; 90; 120
1666.94Stephenson, Maria D.; Hardie, Michaele J.
Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains
CrystEngComm, 2007, 9, 496
7206405 CIFC42 H56 Cl3 Co N18 O19P -3 1 c18.87; 18.87; 9.7466
90; 90; 120
3005.6Kawade, Vitthal A.; Kumbhar, Avinash S.; Erxleben, Andrea; Pachfule, Pradip; Banerjee, Rahul
Hydrogen bond directed honeycomb-like porous network structure of tris(bipyridyl-glycoluril)cobalt(iii) chloride
CrystEngComm, 2011, 13, 5289
7211298 CIFB2 H19.69 Mg N5.85P -3 1 c13.8385; 13.8385; 7.8284
90; 90; 120
1298.32He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping
Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.
Physical chemistry chemical physics : PCCP, 2013, 15, 10487-10493
7214102 CIFC39 H74 N3 O16 P3P -3 1 c19.098; 19.098; 16.333
90; 90; 120
5159.1Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy
Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer
CrystEngComm, 2014, 16, 51
7214994 CIFC72 H48 Cd3 K N6 O15P -3 1 c18.007; 18.007; 19.288
90; 90; 120
5416.3Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua
Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands
CrystEngComm, 2012, 14, 4664
7217227 CIFC69.25 H65.28 Ca O19.14 Zn2P -3 1 c16.55; 16.55; 14.748
90; 90; 120
3498.3Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon
Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains
CrystEngComm, 2014, 16, 8664
7219379 CIFC69 H57.5 Cd3 N26.5 O14P -3 1 c19.5639; 19.5639; 26.8732
90; 90; 120
8907.6Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao
A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties
CrystEngComm, 2015, 17, 2004
7224311 CIFC8 H14 Fe2 N O12P -3 1 c8.2603; 8.2603; 13.8466
90; 90; 120
818.21Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.
Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.
Physical chemistry chemical physics : PCCP, 2016, 18, 8462-8467
7229316 CIFC8 H14 Cr Fe N O12P -3 1 c8.2353; 8.2353; 13.7385
90; 90; 120
806.92Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming; Zhang, Jing; Song, You
Study of the relationship between magnetic field and dielectric properties in two ferromagnetic complexes
RSC Adv., 2017, 7, 47913
7229317 CIFC8 H14 Cr N Ni O12P -3 1 c8.1651; 8.1651; 13.5314
90; 90; 120
781.26Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming; Zhang, Jing; Song, You
Study of the relationship between magnetic field and dielectric properties in two ferromagnetic complexes
RSC Adv., 2017, 7, 47913
7234008 CIFAl2 O4 SrP -3 1 c6.1456; 6.1456; 10.5585
90; 90; 120
345.35Xufan Li; John D. Budai; Feng Liu; Yu-Sheng Chen; Jane Y. Howe; Chengjun Sun; Jonathan Z. Tischler; Richard S. Meltzer; Zhengwei Pan
Crystal structures and optical properties of new quaternary strontium europium aluminate luminescent nanoribbons
Journal of Materials Chemistry C, 2015, 3, 778-788
7234559 CIFC8 H14 Fe2 N O12P -3 1 c8.2294; 8.2294; 14.1221
90; 90; 120
828.26Miroslaw Maczka; Aneta Ciupa; Anna Gagor; Adam Sieradzki; Adam Pikul; Maciej Ptak
Structural, magnetic and dielectric properties of two novel mixed-valence iron(ii)-iron(iii) metal formate frameworks
Journal of Materials Chemistry C, 2016, 4, 1186-1193
7234560 CIFC10 H18 Fe2 N O12P -3 1 c8.4483; 8.4483; 13.7058
90; 90; 120
847.18Miroslaw Maczka; Aneta Ciupa; Anna Gagor; Adam Sieradzki; Adam Pikul; Maciej Ptak
Structural, magnetic and dielectric properties of two novel mixed-valence iron(ii)-iron(iii) metal formate frameworks
Journal of Materials Chemistry C, 2016, 4, 1186-1193
7234664 CIFC10 H20 Mn2 N2 O12P -3 1 c8.6962; 8.6962; 13.6572
90; 90; 120
894.44Miroslaw Maczka; Anna Gagor; Nathalia Leal Marinho Costa; Waldeci Paraguassu; Adam Sieradzki; Adam Pikul
Temperature- and pressure-induced phase transitions in the niccolite-type formate framework of [H3N(CH3)4NH3][Mn2(HCOO)6]
Journal of Materials Chemistry C, 2016, 4, 3185-3194
7242535 CIFC93 H93 Cl26 Mn6 N15 O28P -3 1 c16.7906; 16.7906; 24.3807
90; 90; 120
5952.6Christou, George; Wernsdorfer, Wolfgang; Ghosh, Tuhin; Abboud, Khalil A.; Marbey, Jonathan; Hill, Stephen
Exchange-biased Quantum Tunnelling of Magnetization in a [Mn3]2 Dimer of Single-Molecule Magnets with Rare Ferromagnetic Inter-Mn3 Coupling
Physical Chemistry Chemical Physics, 2021
7244491 CIFC68.83 H89.66 O10P -3 1 c24.169; 24.169; 18.917
90; 90; 120
9570Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei
Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization
RSC Advances, 2022, 12, 6459-6462
7244494 CIFC58 H73 Cl O9P -3 1 c23.363; 23.363; 18.709
90; 90; 120
8844Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei
Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization
RSC Advances, 2022, 12, 6459-6462
7703426 CIFC Mn3 O11 Rb2 V2P -3 1 c5.2488; 5.2488; 22.702
90; 90; 120
541.65Smith Pellizzeri, Tiffany M.; Sanjeewa, Liurukara D.; Pellizzeri, Steven; McMillen, Colin D.; Garlea, V. Ovidiu; Ye, Feng; Sefat, Athena S.; Kolis, Joseph W.
Single crystal neutron and magnetic measurements of Rb<sub>2</sub>Mn<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> and K<sub>2</sub>Co<sub>3</sub>(VO<sub>4</sub>)<sub>2</sub>CO<sub>3</sub> with mixed honeycomb and triangular magnetic lattices.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 4323-4335
7703929 CIFC96 H129 N9 Ni29.27 O42 Pd5.73P -3 1 c18.013; 18.013; 23.271
90; 90; 120
6539.1Berti, Beatrice; Cesari, Cristiana; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano
Redox active Ni-Pd carbonyl alloy nanoclusters: syntheses, molecular structures and electrochemistry of [Ni<sub>22-x</sub>Pd<sub>20+x</sub>(CO)<sub>48</sub>]<sup>6-</sup> (x = 0.62), [Ni<sub>29-x</sub>Pd<sub>6+x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.09) and [Ni<sub>29+x</sub>Pd<sub>6-x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.27).
Dalton transactions (Cambridge, England : 2003), 2020, 49, 5513-5522
7703930 CIFC95 H129 N9 Ni28.91 O42 Pd6.09P -3 1 c18.0295; 18.0295; 23.386
90; 90; 120
6583.5Berti, Beatrice; Cesari, Cristiana; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano
Redox active Ni-Pd carbonyl alloy nanoclusters: syntheses, molecular structures and electrochemistry of [Ni<sub>22-x</sub>Pd<sub>20+x</sub>(CO)<sub>48</sub>]<sup>6-</sup> (x = 0.62), [Ni<sub>29-x</sub>Pd<sub>6+x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.09) and [Ni<sub>29+x</sub>Pd<sub>6-x</sub>(CO)<sub>42</sub>]<sup>6-</sup> (x = 0.27).
Dalton transactions (Cambridge, England : 2003), 2020, 49, 5513-5522
7707794 CIFC133 H192 Ag15 F3 O4 P6 S14P -3 1 c20.6961; 20.6961; 23
90; 90; 120
8531.7Shen, Yang-Lin; Zhao, Pei; Jin, Jun-Ling; Han, Jun; Liu, Chen; Liu, Zheng; Ehara, Masahiro; Xie, Yun-Peng; Lu, Xing
A comparative study of [Ag<sub>11</sub>(<sup><i>i</i></sup>PrS)<sub>9</sub>(dppb)<sub>3</sub>]<sup>2+</sup> and [Ag<sub>15</sub>S(<sup><i>s</i></sup>BuS)<sub>12</sub>(dppb)<sub>3</sub>]<sup>+</sup>: templating effect on structure and photoluminescence.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 10561-10566
7710002 CIFC6 H24 N6 Ni O4 S0.98P -3 1 c8.9389; 8.9389; 9.6152
90; 90; 120
665.36Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun
A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion
Dalton Transactions, 2022
7710004 CIFC6 H24 Mn N6 O4 SP -3 1 c9.0947; 9.0947; 9.5725
90; 90; 120
685.7Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun
A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion
Dalton Transactions, 2022
7710005 CIFC6 H24 Cd N6 O4 SP -3 1 c9.1957; 9.1957; 9.5096
90; 90; 120
696.41Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun
A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion
Dalton Transactions, 2022
7710993 CIFC45 H42 Co N3 S6P -3 1 c15.6733; 15.6733; 32.6686
90; 90; 120
6950Sarker, Jagodish C.; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Hogarth, Graeme
Diaryl dithiocarbamates: synthesis, oxidation to thiuram disulfides, Co(iii) complexes [Co(S2CNAr2)3] and their use as single source precursors to CoS2
Dalton Transactions, 2022
7715114 CIFC356 H549 Cl7 La18 N30 O83P -3 1 c32.5846; 32.5846; 34.4461
90; 90; 120
31673.5Jiao, Yushu; Sanz, Sergio; van Leusen, Jan; Gracia, David; Canaj, Angelos B.; Evangelisti, Marco; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul
Tandem templating strategies facilitate the assembly of calix[8]arene-supported Ln<sub>18</sub> clusters.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4624-4630
7715725 CIFC210 H214 Co24 N12 O107 P12P -3 1 c17.1911; 17.1911; 27.1386
90; 90; 120
6945.9Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli
Discovery of two predictable (3, 18)-connected topologies based on Wells-Dawson type cage for the design of porous metal phosphonocarboxylate frameworks
Dalton Transactions, 2024
7715727 CIFC210 H216 Mn24 N12 O108 P12P -3 1 c17.4015; 17.4015; 27.7085
90; 90; 120
7266.4Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli
Discovery of two predictable (3, 18)-connected topologies based on Wells-Dawson type cage for the design of porous metal phosphonocarboxylate frameworks
Dalton Transactions, 2024
8100958 CIFC10 H16 O5 SnP -3 1 c14.073; 14.073; 32.519
90; 90; 120
5577.1Verdenelli, Martine; Parola, Stephane; Lecoq, Sylvain; Hubert-Pfalzgraf, Liliane G.
Crystal structure of tris[oxo-bis(2,4-pentanedionato)tin(IV)], [SnO (acac)~2~]~3~
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 295-296
9000206 CIFAl0.9 Fe3.1 H36 O42 S6P -3 1 c10.922; 10.922; 17.084
90; 90; 120
1764.92Fang, J. H.; Robinson, P. D.
Crystal structures and mineral chemistry of hydrated ferric sulfates. I. The crystal structure of coquimbite
American Mineralogist, 1970, 55, 1534-1540
9005751 CIFAl1.058 Fe2.942 H36 O42 S6P -3 1 c10.9153; 10.9153; 17.077
90; 90; 120
1762.03Majzlan, J.; Navrotsky, A.; McCleskey, R. B.; Alpers, C. N.
Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5
European Journal of Mineralogy, 2006, 18, 175-186
9006847 CIFC Ba O3P -3 1 c5.258; 5.258; 5.64
90; 90; 120
135.036Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 7.2 GPa
Physics and Chemistry of Minerals, 2000, 27, 467-473
9007439 CIFCr5 S6P -3 1 c5.982; 5.982; 11.509
90; 90; 120
356.665Jellinek, F.
The structures of the chromium sulphides
Acta Crystallographica, 1957, 10, 620-628
9007440 CIFCr2 S3P -3 1 c5.939; 5.939; 11.192
90; 90; 120
341.873Jellinek, F.
The structures of the chromium sulphides
Acta Crystallographica, 1957, 10, 620-628
9012120 CIFFe S6 Ti3P -3 1 c5.937; 5.937; 11.466
90; 90; 120
350.007Takahashi, T.; Yamada, O.
Crystallographic and magnetic properties of the Cd(OH)2 layer structure compound TiS2 containing extra iron
Journal of Solid State Chemistry, 1973, 7, 25-30
9012332 CIFAl Ca F6 LiP -3 1 c4.996; 4.996; 9.636
90; 90; 120
208.292Viebahn, W.
Untersuchungen an quaternaren fluoriden LiMeIIMeIIIF6 die struktur von LiCaAlF6
Zeitschrift fur Anorganische und Allgemeine Chemie, 1971, 386, 335-339
9012618 CIFAl Ca F6 LiP -3 1 c5.007; 5.007; 9.642
90; 90; 120
209.34Bolotina, N. B.; Maksimov, B. A.; Simonov, V. I.; Derzhavin, S. I.; Uvarova, T. V.; Apollonov, V. V.
Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals
Crystallography Reports, 1993, 38, 446-450
9012619 CIFAl Ca F6 LiP -3 1 c5.008; 5.008; 9.642
90; 90; 120
209.424Bolotina, N. B.; Maksimov, B. A.; Simonov, V. I.; Derzhavin, S. I.; Uvarova, T. V.; Apollonov, V. V.
Atomic structure and spectral properties of LiCaAlF6:Cr3+ single crystals Sample: LiCaAlF6:Cr3+
Crystallography Reports, 1993, 38, 446-450
9012762 CIFFe0.39 O0.595P -3 1 c2.955; 2.955; 9.37
90; 90; 120
70.857Jansen, E.; Kyek, A.; Schafer, W.; Schwertmann, U.
The structure of six-line ferrihydrite Sample: defect-free refinement
Applied Physics A, 2002, 74, S1004-S1006
9014336 CIFAl0.761 Fe3.239 H36 O42 S6P -3 1 c10.937; 10.937; 17.0813
90; 90; 120
1769.49Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I.
Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals
The Canadian Mineralogist, 2010, 48, 323-333
9015118 CIFAl Fe3 H36 O42 S6P -3 1 c10.917; 10.917; 17.0829
90; 90; 120
1763.19Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I.
Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals
The Canadian Mineralogist, 2010, 48, 323-333
9015843 CIFAl Fe H18 O21 S3P -3 1 c10.7065; 10.7065; 17.3077
90; 90; 120
1718.17Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I.
Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc2
The Canadian Mineralogist, 2010, 48, 323-333
9016273 CIFAl Fe3 H36 O42 S6P -3 1 c10.91; 10.91; 17.0625
90; 90; 120
1758.83Demartin, F.; Castellano, C.; Gramaccioli, C. M.; Campostrini, I.
Aluminum-for-iron substitution, hydrogen bonding, and a novel structure-type in coquimbite-like minerals Note: sample vulc1
The Canadian Mineralogist, 2010, 48, 323-333
9017915 CIFAl0.38 Fe1.621 H18 O21 S3P -3 1 c10.9344; 10.9344; 17.09
90; 90; 120
1769.55Yang, Z.; Giester, G.
Structure refinements of coquimbite and paracoquimbite from the Hongshan Cu-Au deposit, NW China
European Journal of Mineralogy, 2018, 30, 849-858

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