Crystallography Open Database

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4508869 CIFC56 H71 Br Cl F3 O9P 4/n n c :215.4867; 15.4867; 22.675
90; 90; 90
5438.3Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.
Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes
Crystal Growth & Design, 2006, 6, 2141
4515350 CIFC22.62 H16 Cu F6 N8 O5.25 SiP 4/n n c :213.075; 13.075; 8.3362
90; 90; 90
1425.12Jiang, Mengdie; Li, Bin; Cui, Xili; Yang, Qiwei; Bao, Zongbi; Yang, Yiwen; Wu, Hui; Zhou, Wei; Chen, Banglin; Xing, Huabin
Controlling Pore Shape and Size of Interpenetrated Anion-Pillared Ultramicroporous Materials Enables Molecular Sieving of CO<sub>2</sub> Combined with Ultrahigh Uptake Capacity.
ACS applied materials & interfaces, 2018, 10, 16628-16635
7012755 CIFC4 H30 Mo8 N O30.5 S4P 4/n n c :214.864; 14.864; 21.4507
90; 90; 90
4739.3Zhan, Xiao-Ping; Lu, Can-Zhong; Yang, Wen-Bin; Ma, Hong-Wei; Wu, Chuan-De; Zhang, Quan-Zheng
[Mo8S4O12(OH)8(C2O4)]: a novel polyoxothiomolybdate ring synthesized via a hydrothermal method
Dalton Transactions, 2003, 1457
7020986 CIFC408 H700 Cd30 N60 O194P 4/n n c :228.355; 28.355; 33.188
90; 90; 90
26683.4Gong, Wei-Jie; Liu, Ying-Ying; Yang, Jin; Wu, Hua; Ma, Jian-Fang; Xie, Teng-Feng
An unprecedented octahedral {Cd30} nanocage supported by twelve pendant-armed tetraacetate macrocyclic ligands
Dalton Transactions, 2013, 42, 3304
7021897 CIFC12 H10 N8 O4 Zn2P 4/n n c :212.6724; 12.6724; 25.2868
90; 90; 90
4060.8Luo, Ming-Biao; Yuan, Zi-Zun; Xu, Wen-Yuan; Luo, Feng; Li, Jian-Qiang; Zhu, Yan; Feng, Xue-Feng; Liu, Shu-Juan
Framework isomers controlled by the speed of crystallization: different aggregation fashions of Zn(ii) and 1,2,4-triazol-3-amine, distinct (3,4)-connected self-penetrating nets, and various pore shapes.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 13802-13805
7027611 CIFC148 H192 Cl8 N16 O24 Pd8P 4/n n c :222.0685; 22.0685; 17.4908
90; 90; 90
8518.3Colquhoun, Howard M.; Fairman, Richard A.; Tootell, Paula; Williams, David J.
An octanuclear pyromellitimidato(2−) palladium complex: coordinative assembly of a molecular box
Journal of the Chemical Society, Dalton Transactions, 1999, 2651
7101703 CIFC60 H80 O8P 4/n n c :215.4022; 15.4022; 22.825
90; 90; 90
5414.7Ananchenko, Gennady S; Udachin, Konstantin A; Pojarova, Michaela; Jebors, Said; Coleman, Anthony W; Ripmeester, John A
A molecular turnstile in para-octanoyl calix[4]arene nanocapsules.
Chemical communications (Cambridge, England), 2007, 707-709
7102806 CIFC14.63 H19.63 N0.13 O2.5 P0.13P 4/n n c :215.5336; 15.5336; 22.658
90; 90; 90
5467.2Ananchenko, Gennady S.; Udachin, Konstanin A.; Coleman, Anthony W.; Polovyanenko, Dmitriy N.; Bagryanskaya, Elena G.; Ripmeester, John A.
Crystalline inclusion complex of a calixarene with a nitroxide
Chemical Communications (Cambridge, United Kingdom), 2008, 223-225
7104934 CIFC108 F48P 4/n n c :215.183; 15.183; 15.9887
90; 90; 90
3685.77Troyanov, Sergey I; Tamm, Nadezhda B
Cage connectivities of C88 (33) and C92 (82) fullerenes captured as trifluoromethyl derivatives, C88(CF3)18 and C92(CF3)16.
Chemical communications (Cambridge, England), 2009, 6035-6037
7113320 CIFC64 H40 Cu2 N2 O8P 4/n n c :216.589; 16.589; 9.584
90; 90; 90
2637.5Yuichi Takasaki; Satoshi Takamizawa
A preferable molecular crystal membrane for H2 gas separation
Chem.Commun., 2014, 50, 5662
7114462 CIFC9.25 H10.75 N0.25 Nd0.25 O6.38 SP 4/n n c :211.9026; 11.9026; 32.876
90; 90; 90
4657.6Dalgarno, Scott J.; Raston, Colin L.
Capture of di-protonated [2.2.2]cryptand in the cavity of two p-sulfonated calixarenes as part of 2-D bi-layer lanthanide coordination polymers
Chemical Communications, 2002, 2216
7116024 CIFC100 H152 Cu16 N40 O64P 4/n n c :221.974; 21.974; 16.49
90; 90; 90
7962Andreas K. Kostopoulos; Athanassios D. Katsenis; Jamie M. Frost; Vadim G. Kessler; Euan K. Brechin; Giannis S. Papaefstathiou
Circular serendipity: in situ ligand transformation for the self-assembly of an hexadecametallic [CuII16] wheel
Chem.Commun., 2014, 50, 15002
7125372 CIFC36 H43 N8 O8 P2 Zn2P 4/n n c :218.2767; 18.2767; 30.7812
90; 90; 90
10282.1Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy
Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.
Chemical communications (Cambridge, England), 2019, 55, 7994-7997
7125525 CIFC14 H20 Mo0.5 O2.5P 4/n n c :222.5679; 22.5679; 13.0099
90; 90; 90
6626.1Liu, Cai-Ming; Restorp, Per; Nordlander, Ebbe; Pierpont, Cortlandt G.
Oxo-deficient dioxylene complexes of Mo(vi) containing 3,6-di-tert-butylcatechol
Chemical Communications, 2001, 2686
7131768 CIFC33 H38.5 Be2 O2.25P 4/n n c :217.323; 17.323; 18.354
90; 90; 90
5507.8Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger
Dibenzoberylloles: antiaromatic s-block fluorene analogues
Chemical Communications, 2023
7154208 CIFC113 H99 N9 O10P 4/n n c :219.221; 19.221; 26.996
90; 90; 90
9974Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu
Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state.
Organic & biomolecular chemistry, 2015, 13, 1647-1653
7202061 CIFC115.76 H152.28 N O18.88P 4/n n c :215.5514; 15.5514; 22.5951
90; 90; 90
5464.5Polovyanenko, Dmitriy N.; Bagryanskaya, Elena G.; Schnegg, Alexander; Möbius, Klaus; Coleman, Anthony W.; Ananchenko, Gennady S.; Udachin, Konstantin A.; Ripmeester, John A.
Inclusion of 4-methoxy-2,2,6,6-tetramethylpiperidine-N-oxyl in a calixarene nanocapsule in the solid state
Physical Chemistry Chemical Physics, 2008, 10, 5299-5307
7206016 CIFC210 H330 Cl2 Dy14 N24 O143 S16P 4/n n c :220.0609; 20.0609; 37.6855
90; 90; 90
15166.1Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang
Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate
CrystEngComm, 2011, 13, 3345
7206017 CIFC127 H222 Cl2 Dy12 N16 O113P 4/n n c :221.7073; 21.7073; 22.5476
90; 90; 90
10624.6Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang
Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate
CrystEngComm, 2011, 13, 3345
7209280 CIFC6 H5 N4 O2 ZnP 4/n n c :212.6672; 12.6672; 25.4399
90; 90; 90
4082Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen
Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2
CrystEngComm, 2013, 15, 2057
7209281 CIFC6 H5 Co N4 O2P 4/n n c :212.5845; 12.5845; 25.4464
90; 90; 90
4029.9Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen
Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2
CrystEngComm, 2013, 15, 2057
7209586 CIFC12 H10 N8 O5 Zn2P 4/n n c :212.7; 12.7; 25.364
90; 90; 90
4091Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang
Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions
CrystEngComm, 2013, 15, 3261
7210296 CIFC7 H8 O6.5 P ZnP 4/n n c :223.986; 23.986; 10.481
90; 90; 90
6030Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong
Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies
CrystEngComm, 2013, 15, 7056
7220436 CIFC46.5 H62 O4.5P 4/n n c :212.8494; 12.8494; 25.11
90; 90; 90
4145.8Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro
Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals
CrystEngComm, 2015, 17, 4799
7243585 CIFC64 H32 N16 NdP 4/n n c :219.937; 19.937; 6.4202
90; 90; 90
2551.9Dailey, Maegan; Besson, Claire
Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs
CrystEngComm, 2021, 23, 7151-7161
7243588 CIFC64 H32 La N16P 4/n n c :219.9227; 19.9227; 6.3925
90; 90; 90
2537.27Dailey, Maegan; Besson, Claire
Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs
CrystEngComm, 2021, 23, 7151-7161
7243597 CIFC64 H32 Dy N16P 4/n n c :219.548; 19.548; 6.477
90; 90; 90
2475Dailey, Maegan; Besson, Claire
Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs
CrystEngComm, 2021, 23, 7151-7161
7245670 CIFC82 H142 O44 S8 Tb9P 4/n n c :213.3479; 13.3479; 46.0809
90; 90; 90
8210.1Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun
Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters
RSC Advances, 2022, 12, 29151-29161
7245672 CIFC82 H144 Gd9 O44 S8P 4/n n c :213.3613; 13.3613; 46.1864
90; 90; 90
8245.4Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun
Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters
RSC Advances, 2022, 12, 29151-29161
7245673 CIFC82 H142 Dy9 O44 S8P 4/n n c :213.2526; 13.2526; 46.0114
90; 90; 90
8081Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun
Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters
RSC Advances, 2022, 12, 29151-29161
7707585 CIFC66 H72 Ag N4 O12 Ru4P 4/n n c :218.1524; 18.1524; 21.1288
90; 90; 90
6962.1Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano
One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 9610-9622
7708319 CIFC416 H384 F36 N48 O103 Pd6 S16P 4/n n c :231.691; 31.691; 31.686
90; 90; 90
31823Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang
Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions
Dalton Transactions, 2021
9001022 CIFAl5.425 Ca9.14 Cu0.355 F0.533 Fe0.145 H4.25 Mg0.28 Mn0.34 O38.25 Si8.755 Zn0.484P 4/n n c :215.532; 15.532; 11.776
90; 90; 90
2840.88Fitzgerald, S.; Rheingold, A. L.; Leavens, P. B.
Crystal structure of Cu-bearing vesuvianite
American Mineralogist, 1986, 71, 1011-1014
9001499 CIFAl5.44 Ca9.5 Cu0.26 F2.7 H2.3 Mg0.8 O36.3 Si9P 4/n n c :215.517; 15.517; 11.781
90; 90; 90
2836.6Ohkawa, M.; Yoshiasa, A.; Takeno, S.
Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #1 from Sauland
American Mineralogist, 1992, 77, 945-953
9001500 CIFAl5.24 Ca9.5 F Fe1.26 H4 O38 Si9P 4/n n c :215.606; 15.606; 11.825
90; 90; 90
2879.95Ohkawa, M.; Yoshiasa, A.; Takeno, S.
Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #2 from Sanpo
American Mineralogist, 1992, 77, 945-953
9001501 CIFAl5.48 Ca9.5 F3.07 Fe1.02 H1.93 O35.93 Si9P 4/n n c :215.583; 15.583; 11.801
90; 90; 90
2865.64Ohkawa, M.; Yoshiasa, A.; Takeno, S.
Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #3 from Jinmu
American Mineralogist, 1992, 77, 945-953
9001502 CIFAl5.88 Ca9.5 Fe0.36 H5 Mg0.26 O39 Si9P 4/n n c :215.546; 15.546; 11.828
90; 90; 90
2858.57Ohkawa, M.; Yoshiasa, A.; Takeno, S.
Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #4 from Chichibu
American Mineralogist, 1992, 77, 945-953
9004081 CIFAl5.5 Ca9.46 F1.56 Fe1.098 H4 O37.44 Si9P 4/n n c :215.516; 15.516; 11.769
90; 90; 90
2833.34Rucklidge J C; Kocman V; Whitlow S H; Gabe E J
The crystal structures of three Canadian vesuvianites Sample: #1 Great Slave Lake
The Canadian Mineralogist, 1975, 13, 15-21
9004082 CIFAl4.972 Ca9.052 Fe1.459 H4 Na0.54 O39 Si9P 4/n n c :215.558; 15.558; 11.81
90; 90; 90
2858.63Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J.
The crystal structures of three Canadian vesuvianites Sample: #2 Bancroft
The Canadian Mineralogist, 1975, 13, 15-21
9004083 CIFAl4.92 Ca10 Fe1.24 H4 Mg0.68 O39 Si9 Ti0.16P 4/n n c :215.543; 15.543; 11.7905
90; 90; 90
2848.41Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J.
The crystal structures of three Canadian vesuvianites Sample: #3 Wakefield
The Canadian Mineralogist, 1975, 13, 15-21
9004256 CIFAl5.67 Ca10 Fe0.63 H4 Mg0.56 O39 Si9 Ti0.14P 4/n n c :215.522; 15.522; 11.802
90; 90; 90
2843.49Groat, L. A.; Hawthorne, F. C.; Ercit, T. S.
The role of fluorine in vesuvianite: A crystal-structure study Sample: V12
The Canadian Mineralogist, 1992, 30, 1065-1075
9004257 CIFAl5.84 Ca9.9 Cl0.08 F1.12 Fe0.72 H2.8 Mg0.8 Na0.1 O38.8 Si9 Ti0.64P 4/n n c :215.558; 15.558; 11.805
90; 90; 90
2857.42Groat, L. A.; Hawthorne, F. C.; Ercit, T. S.
The role of fluorine in vesuvianite: A crystal-structure study Sample: V27
The Canadian Mineralogist, 1992, 30, 1065-1075
9004258 CIFAl6 Ca10 F1.64 Fe1.04 H2.36 Mg0.72 Mn0.08 O38.36 Si9 Ti0.16P 4/n n c :215.563; 15.563; 11.806
90; 90; 90
2859.5Groat, L. A.; Hawthorne, F. C.; Ercit, T. S.
The role of fluorine in vesuvianite: A crystal-structure study Sample: V4
The Canadian Mineralogist, 1992, 30, 1065-1075
9004259 CIFAl6 Ca10 F1.88 Fe0.88 H2.12 Mg0.8 Mn0.16 O38.12 Si9 Ti0.16P 4/n n c :215.538; 15.538; 11.786
90; 90; 90
2845.49Groat, L. A.; Hawthorne, F. C.; Ercit, T. S.
The role of fluorine in vesuvianite: A crystal-structure study Sample: V33
The Canadian Mineralogist, 1992, 30, 1065-1075
9004442 CIFAl11.04 B2.72 Ca19 Fe2.68 O78.8 Si18P 4/n n c :215.736; 15.736; 11.72
90; 90; 90
2902.13Groat, L. A.; Hawthorne, F. C.; Lager, G. A.; Schultz, A. J.; Ercit, T. S.
X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite Sample: X-ray data, 298 K
The Canadian Mineralogist, 1996, 34, 1059-1070
9004443 CIFAl11.04 B2.72 Ca19 Fe2.68 H8 O78.86 Si18P 4/n n c :215.725; 15.725; 11.716
90; 90; 90
2897.08Groat, L. A.; Hawthorne, F. C.; Lager, G. A.; Schultz, A. J.; Ercit, T. S.
X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite Sample: neutron data, 15 K
The Canadian Mineralogist, 1996, 34, 1059-1070
9004529 CIFAl4.36 Ca10 F0.72 Fe0.89 H5 Mg1.67 O38.28 Si9 Ti0.08P 4/n n c :215.533; 15.533; 11.785
90; 90; 90
2843.42Lager, G. A.; Xie, Q.; Ross, F. K.; Rossman, G. R.; Armbruster, T.; Rotella, F. J.; Schultz, A. J.
Hydrogen-atom positions in P4/nnc vesuvianite
The Canadian Mineralogist, 1999, 37, 763-768
9004737 CIFCu H24 O24 P2 U2P 4/n n c :27.0267; 7.0267; 20.807
90; 90; 90
1027.33Locock, A. J.; Burns, P. C.
Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite
The Canadian Mineralogist, 2003, 41, 489-502
9004738 CIFAs2 Cu H24 O24 U2P 4/n n c :27.1797; 7.1797; 20.857
90; 90; 90
1075.14Locock, A. J.; Burns, P. C.
Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite
The Canadian Mineralogist, 2003, 41, 489-502
9004768 CIFAl5.032 Ca9.46 Cl0.216 F1.44 Fe0.664 H2.844 Mg0.62 Na0.04 O37.344 Si8.955 Ti0.216P 4/n n c :215.536; 15.536; 11.781
90; 90; 90
2843.55Galuskin, E. V.; Armbruster, T.; Malsy, A.; Galuskina, I. O.; Sitarz, M.
Morphology, composition and structure of low-temperature P4/nnc high-fluorine vesuvianite whiskers from Polar Yakutia, Russia Sample: VES1 Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia
The Canadian Mineralogist, 2003, 41, 843-856

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