Crystallography Open Database

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7119965 CIFC136 H84 Cl4 F12 N44 Ni11 O14 P2I 41/a c d26.2902; 26.2902; 45.5256
90; 90; 90
31466.1Chen, Po-Jung; Sigrist, Marc; Horng, Er-Chien; Lin, Geng-Min; Lee, Gene-Hsiang; Chen, Chun-Hsien; Peng, Shie-Ming
A ligand design with a modified naphthyridylamide for achieving the longest EMACs: the 1st single-molecule conductance of an undeca-nickel metal string.
Chemical communications (Cambridge, England), 2017, 53, 4673-4676
7119966 CIFC131 H102 Cl4 N44 Ni11 O9P -116.3756; 17.1876; 26.5639
74.3715; 74.7034; 86.5878
6944.6Chen, Po-Jung; Sigrist, Marc; Horng, Er-Chien; Lin, Geng-Min; Lee, Gene-Hsiang; Chen, Chun-Hsien; Peng, Shie-Ming
A ligand design with a modified naphthyridylamide for achieving the longest EMACs: the 1st single-molecule conductance of an undeca-nickel metal string.
Chemical communications (Cambridge, England), 2017, 53, 4673-4676
7119974 CIFC51 H96 Co3 Gd3 N6 O32I -4 2 d26.644; 26.644; 27.368
90; 90; 90
19429Ojea, María José Heras; Lorusso, Giulia; Craig, Gavin A.; Wilson, Claire; Evangelisti, Marco; Murrie, Mark
A topologically unique alternating {CoGd} magnetocaloric ring.
Chemical communications (Cambridge, England), 2017, 53, 4799-4802
7119979 CIFC72 H124 Mo12 N5 O45 P Zn4I 41/a c d :229.4436; 29.4436; 54.543
90; 90; 90
47285Wang, Yuan-Yuan; Zhang, Mi; Li, Shun-Li; Zhang, Shu-Ran; Xie, Wei; Qin, Jun-Sheng; Su, Zhong-Min; Lan, Ya-Qian
Diamondoid-structured polymolybdate-based metal-organic frameworks as high-capacity anodes for lithium-ion batteries.
Chemical communications (Cambridge, England), 2017, 53, 5204-5207
7119980 CIFC120 H236 Mo24 N10 O88 P2 Zn8P b c n25.686; 31.77; 25.129
90; 90; 90
20506Wang, Yuan-Yuan; Zhang, Mi; Li, Shun-Li; Zhang, Shu-Ran; Xie, Wei; Qin, Jun-Sheng; Su, Zhong-Min; Lan, Ya-Qian
Diamondoid-structured polymolybdate-based metal-organic frameworks as high-capacity anodes for lithium-ion batteries.
Chemical communications (Cambridge, England), 2017, 53, 5204-5207
7119984 CIFC13 H18 B10 S2P 17.801; 11.7472; 20.3556
75.44; 81.373; 89.986
1783.68Quan, Yangjian; Lyu, Hairong; Xie, Zuowei
Dehydrogenative cross-coupling of o-carborane with thiophenes via Ir-catalyzed regioselective cage B-H and C(sp(2))-H activation.
Chemical communications (Cambridge, England), 2017, 53, 4818-4821
7119986 CIFC43 H56 F6 N5 O4 Rh SbP c a 2118.6161; 11.3161; 21.2379
90; 90; 90
4474Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu
Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.
Chemical communications (Cambridge, England), 2017, 53, 4849-4852
7119987 CIFC40 H60 N3 O5 RhP 1 21/c 112.6767; 17.8148; 18.2085
90; 101.841; 90
4024.6Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu
Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.
Chemical communications (Cambridge, England), 2017, 53, 4849-4852
7119988 CIFC46 H62 N5 O5 RhP 1 21/c 112.1457; 18.9914; 19.1816
90; 94.029; 90
4413.6Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu
Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.
Chemical communications (Cambridge, England), 2017, 53, 4849-4852
7119990 CIFC4 H8 B La N6 O10P 1 21/c 111.902; 11.629; 10.85
90; 111.77; 90
1394.6Zottnick, Sven H.; Finze, Maik; Müller-Buschbaum, Klaus
Transformation of the ionic liquid [EMIM][B(CN)4] into anionic and neutral lanthanum tetracyanoborate coordination polymers by ionothermal reactions.
Chemical communications (Cambridge, England), 2017, 53, 5193-5195
7119991 CIFC18 H17 B3 La N15 O6P 1 21/n 19.561; 20.688; 16.487
90; 104.85; 90
3152.2Zottnick, Sven H.; Finze, Maik; Müller-Buschbaum, Klaus
Transformation of the ionic liquid [EMIM][B(CN)4] into anionic and neutral lanthanum tetracyanoborate coordination polymers by ionothermal reactions.
Chemical communications (Cambridge, England), 2017, 53, 5193-5195
7119992 CIFC27 H31 B O2 SeP 1 21/n 110.4862; 11.7144; 20.1408
90; 102.032; 90
2419.73Armstrong, Roly J.; Sandford, Christopher; García-Ruiz, Cristina; Aggarwal, Varinder K.
Conjunctive functionalization of vinyl boronate complexes with electrophiles: a diastereoselective three-component coupling.
Chemical communications (Cambridge, England), 2017, 53, 4922-4925
7119993 CIFC21 H16 Cl2 O3P 1 21 18.0715; 8.9946; 25.1406
90; 98.0371; 90
1807.28Bos, Maxence; Riguet, Emmanuel
Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.
Chemical communications (Cambridge, England), 2017, 53, 4997-5000
7119994 CIFC22 H17 Br O3P 1 21 19.629; 17.514; 10.738
90; 98.23; 90
1792.2Bos, Maxence; Riguet, Emmanuel
Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.
Chemical communications (Cambridge, England), 2017, 53, 4997-5000
7119995 CIFC21 H16 Cl2 O3P 21 21 218.43; 14.204; 14.905
90; 90; 90
1784.7Bos, Maxence; Riguet, Emmanuel
Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.
Chemical communications (Cambridge, England), 2017, 53, 4997-5000
7119996 CIFC21 H20 Cl2 O3P 21 21 218.298; 10.5377; 21.5903
90; 90; 90
1887.9Bos, Maxence; Riguet, Emmanuel
Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.
Chemical communications (Cambridge, England), 2017, 53, 4997-5000
7119997 CIFC58 H76 Na2 O8 P2 Zr2P -110.3925; 16.372; 16.948
93.428; 100.442; 98.703
2791.9Kieser, Jerod M.; Gilliard, Jr, Robert J; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.
Insertion of sodium phosphaethynolate, Na[OCP], into a zirconium-benzyne complex.
Chemical communications (Cambridge, England), 2017, 53, 5110-5112
7119998 CIFC40 H46 O2 P2 Si2 Zr2P 1 21/n 110.6157; 17.277; 10.7644
90; 105.752; 90
1900.1Kieser, Jerod M.; Gilliard, Jr, Robert J; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.
Insertion of sodium phosphaethynolate, Na[OCP], into a zirconium-benzyne complex.
Chemical communications (Cambridge, England), 2017, 53, 5110-5112
7120001 CIFC11 H12 N6P n m a14.892; 6.4795; 10.752
90; 90; 90
1037.5Watanabe, Hiroyuki; Hirose, Masataka; Tanaka, Kazuo; Chujo, Yoshiki
Development of emissive aminopentaazaphenalene derivatives employing a design strategy for obtaining luminescent conjugated molecules by modulating the symmetry of molecular orbitals with substituent effects.
Chemical communications (Cambridge, England), 2017, 53, 5036-5039
7120003 CIFC44 H55 Eu N O22P 21 21 220.072; 16.329; 16.631
90; 90; 90
5451Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming
Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.
Chemical communications (Cambridge, England), 2017, 53, 5067-5070
7120004 CIFC44 H56 N O22 SmP 21 21 220.118; 16.652; 16.747
90; 90; 90
5610.3Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming
Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.
Chemical communications (Cambridge, England), 2017, 53, 5067-5070
7120005 CIFC44 H56 N O22 TbP 21 21 220.056; 16.412; 16.648
90; 90; 90
5479.8Li, Yu-Xin; Li, Shang-Ju; Yan, Peng-Fei; Wang, Xin-Yu; Yao, Xu; An, Guang-Hui; Li, Guang-Ming
Luminescence-colour-changing sensing of Mn(2+) and Ag(+) ions based on a white-light-emitting lanthanide coordination polymer.
Chemical communications (Cambridge, England), 2017, 53, 5067-5070
7120019 CIFC382.5 H444 N24 O48R -3 c36.9553; 36.9553; 119.924
90; 90; 120
141837Wierzbicki, M.; Głowacka, A A; Szymański, M P; Szumna, A.
A chiral member of the family of organic hexameric cages.
Chemical communications (Cambridge, England), 2017, 53, 5200-5203
7120075 CIFC22 H24 N4 O4P -15.3164; 11.583; 17.1059
84.2779; 82.5641; 85.7426
1037.31Srivastava, Bhartendu K.; Manheri, Muraleedharan K.
Towards a fragment-based approach in gelator design: halogen effects leading to thixotropic, mouldable and self-healing systems in aryl-triazolyl amino acid-based gelators!
Chemical communications (Cambridge, England), 2017, 53, 4485-4488
7120076 CIFC14 H36 B2 N2 P2P 21 21 2110.426; 13.8793; 27.409
90; 90; 90
3966.2Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier
P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.
Chemical communications (Cambridge, England), 2017, 53, 4605-4608
7120077 CIFC12 H36 B2 N2 P2P 1 21 16.7712; 21.3766; 6.9819
90; 114.052; 90
922.85Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier
P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.
Chemical communications (Cambridge, England), 2017, 53, 4605-4608
7120078 CIFC54 H54 B F24 N2 P2 RhP 1 21 112.9259; 12.42237; 18.1785
90; 107.055; 90
2790.57Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier
P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.
Chemical communications (Cambridge, England), 2017, 53, 4605-4608
7120079 CIFC8 H12 Ca F8 N4 O2 P2C m c 2112.9151; 20.3651; 7.0543
90; 90; 90
1855.4Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.
Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.
Chemical communications (Cambridge, England), 2017, 53, 4573-4576
7120080 CIFC52 H98 Ca4 F36 N6 O20 P6P -112.989; 13.1082; 13.8922
100.396; 103.086; 91.607
2260.21Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.
Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.
Chemical communications (Cambridge, England), 2017, 53, 4573-4576
7120081 CIFC12 H22 Ca F8 O8 P2P c a 2128.1056; 11.9971; 13.0595
90; 90; 90
4403.5Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.
Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.
Chemical communications (Cambridge, England), 2017, 53, 4573-4576
7120082 CIFC38 H72 Ca4 F28 N4 O15 P4P -112.7225; 13.4339; 21.7776
73.456; 89.794; 68.867
3307.5Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S.
Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium.
Chemical communications (Cambridge, England), 2017, 53, 4573-4576
7120083 CIFC180.5 H163 B8 Co4 F32 N36 O15.5 SC 1 2/c 127.523; 39.478; 42.338
90; 106.279; 90
44158Wright, James S.; Metherell, Alexander J.; Cullen, William M.; Piper, Jerico R.; Dawson, Robert; Ward, Michael D.
Highly selective CO2vs. N2 adsorption in the cavity of a molecular coordination cage.
Chemical communications (Cambridge, England), 2017, 53, 4398-4401
7120084 CIFC38 H53 N3 Ni O4P 21 21 219.93003; 10.15945; 35.2869
90; 90; 90
3559.87Wenz, Jan; Wadepohl, Hubert; Gade, Lutz H.
Regioselective hydrosilylation of epoxides catalysed by nickel(ii) hydrido complexes.
Chemical communications (Cambridge, England), 2017, 53, 4308-4311
7120085 CIFC28 H30 F N3 Ni O2P 4111.68973; 11.68973; 54.0604
90; 90; 90
7387.34Wenz, Jan; Wadepohl, Hubert; Gade, Lutz H.
Regioselective hydrosilylation of epoxides catalysed by nickel(ii) hydrido complexes.
Chemical communications (Cambridge, England), 2017, 53, 4308-4311
7120086 CIFC31 H24 Br N OP 1 21 112.615; 9.87; 19.82
90; 102.263; 90
2411.5Zhang, Zhao-Fei; Chen, Kun-Quan; Zhang, Chun-Lin; Ye, Song
N-heterocyclic carbene-catalyzed synthesis of spirocyclopentene-oxindoles from bromoenals.
Chemical communications (Cambridge, England), 2017, 53, 4327-4330
7120087 CIFC40 H25 F3 Fe I4 N5 O2P -112.036; 12.136; 15.462
88.24; 88.46; 61.525
1984.2Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc
Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.
Chemical communications (Cambridge, England), 2017, 53, 4989-4992
7120088 CIFC40 H25 F3 Fe I4 N5 O2P -111.93; 12.043; 15.325
87.97; 87.94; 61.717
1937.3Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc
Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.
Chemical communications (Cambridge, England), 2017, 53, 4989-4992
7120089 CIFC38 H22 Cl F3 Fe I3 N4 O2P 1 21/c 115.329; 11.1082; 22.03
90; 99.428; 90
3700.5Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc
Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.
Chemical communications (Cambridge, England), 2017, 53, 4989-4992
7120090 CIFC33 H28 Cl Fe N4 O4C 1 2/c 132.99; 8.951; 21.269
90; 110.76; 90
5873Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc
Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.
Chemical communications (Cambridge, England), 2017, 53, 4989-4992
7120091 CIFC38 H22 Cl F3 Fe I3 N4 O2P 1 21/c 115.196; 11.037; 21.847
90; 100.126; 90
3607.1Jeon, Ie-Rang; Jeannin, Olivier; Clérac, Rodolphe; Rouzières, Mathieu; Fourmigué, Marc
Spin-state modulation of molecular Fe(III) complexes via inclusion in halogen-bonded supramolecular networks.
Chemical communications (Cambridge, England), 2017, 53, 4989-4992
7120092 CIFC28 H25 Cl O3P 1 21 16.5747; 16.8602; 10.7211
90; 93.733; 90
1185.92Jia, Zhi-Long; Wang, Yao; Xu, Guo-Qiang; Xu, Peng-Fei
Kinetic resolution via supramolecular iminium catalysis: multiactivation enables the asymmetric synthesis of β-aryl substituted aldehydes and densely functionalized cyclohexanes.
Chemical communications (Cambridge, England), 2017, 53, 4938-4941
7120093 CIFC32.5 H24 N8 OP -16.7285; 12.4807; 17.2061
107.908; 91.531; 99.84
1349.83Kuznetsov, Iliya E.; Susarova, Diana K.; Frolova, Lyubov A.; Peregudov, Alexander S.; Shestakov, Alexander F.; Troyanov, Sergey I.; Stevenson, Keith J.; Troshin, Pavel A.
Unprecedented thermal condensation of tetracyanocyclopropanes to triazaphenalenes: a facile route for the design of novel materials for electronic applications.
Chemical communications (Cambridge, England), 2017, 53, 4830-4833
7120094 CIFC21 H22 O3P 21 21 215.18168; 17.7177; 18.7318
90; 90; 90
1719.72Wang, Cheng-Yong; Pan, Gao-Hui; Chen, Fan; Li, Jin-Heng
Oxidative cyclization of 2-allenyl-1,1'-biphenyls with α-carbonyl alkyl bromides: facile access to functionalized phenanthrenes.
Chemical communications (Cambridge, England), 2017, 53, 4730-4733
7120095 CIFC15 H14 F3 N O2C 1 2/c 129.251; 7.0232; 16.65
90; 122.044; 90
2899.4Tomita, Ren; Koike, Takashi; Akita, Munetaka
Photoredox-catalyzed oxytrifluoromethylation of allenes: stereoselective synthesis of 2-trifluoromethylated allyl acetates.
Chemical communications (Cambridge, England), 2017, 53, 4681-4684
7120355 CIFC18 H21 N O4 SP -18.006; 16.07; 19.305
99.05; 94.685; 90.749
2443.8Yin, Xianglin; Mohammad, Haroon; Eldesouky, Hassan E.; Abdelkhalek, Ahmed; Seleem, Mohamed N.; Dai, Mingji
Rapid synthesis of bicyclic lactones via palladium-catalyzed aminocarbonylative lactonizations.
Chemical communications (Cambridge, England), 2017, 53, 7238-7241
7120356 CIFC22 H23 N O4 SP 1 21/n 111.2917; 14.5436; 12.4181
90; 108.78; 90
1930.76Yin, Xianglin; Mohammad, Haroon; Eldesouky, Hassan E.; Abdelkhalek, Ahmed; Seleem, Mohamed N.; Dai, Mingji
Rapid synthesis of bicyclic lactones via palladium-catalyzed aminocarbonylative lactonizations.
Chemical communications (Cambridge, England), 2017, 53, 7238-7241
7125163 CIFC52 H58 Mn OC c c a :218.67834; 21.44845; 21.13621
90; 90; 90
8467.62Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.
Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.
Chemical communications (Cambridge, England), 2017, 53, 937-940
7125164 CIFC52 H58 Fe OP n n a18.6528; 43.7692; 10.50646
90; 90; 90
8577.66Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.
Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.
Chemical communications (Cambridge, England), 2017, 53, 937-940
7125165 CIFC24 H25 IP n m a5.8071; 27.443; 12.2554
90; 90; 90
1953.1Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.
Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.
Chemical communications (Cambridge, England), 2017, 53, 937-940
7125166 CIFC48 H50 Li2P 43 21 212.4731; 12.4731; 48.7421
90; 90; 90
7583.2Sharpe, Helen R.; Geer, Ana M.; Williams, Huw E. L.; Blundell, Toby J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.
Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.
Chemical communications (Cambridge, England), 2017, 53, 937-940

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