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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1514985	CIF	C28 H35 N O7 Si	P 1 21 1	11.4194; 10.9563; 12.2162 90; 104.877; 90	1477.19	Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221
1514986	CIF	C28 H35 N O7 Si	P 21 21 21	10.6948; 14.0253; 18.4358 90; 90; 90	2765.33	Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221
1514987	CIF	C28 H36 O6 Si2	P -1	10.3358; 10.7754; 13.7612 103.096; 100.398; 91.195	1465.19	Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221
1514988	CIF	C29 H37 N O8 Si	P 21 21 21	10.1179; 13.7992; 21.5342 90; 90; 90	3006.58	Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221
1514989	CIF	C38 H47 B O8 Sn	P -1	10.8449; 13.7385; 14.5994 78.148; 75.225; 70.556	1965.93	Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221
1514990	CIF	C35 H39 B O8	P 1 21/c 1	10.2127; 10.942; 28.6657 90; 98.392; 90	3169.02	Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221
1514991	CIF	C37 H57 Ni P3 Si	P b c a	16.1008; 16.9634; 25.931 90; 90; 90	7082.4	Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313
1514992	CIF	C77.75 H75.75 B F24 N2 Ni P3 Si	C 1 2/c 1	47.534; 13.9003; 30.423 90; 128.63; 90	15703	Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313
1514993	CIF	C70 H69 B F24 N Ni P3 Si	P 1 21/c 1	12.8286; 14.9103; 38.095 90; 96.779; 90	7235.8	Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313
1514994	CIF	C69 H66 B Cl F24 Ni O P3 Si	P b c a	26.3375; 19.5435; 27.2078 90; 90; 90	14004.6	Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313
1514995	CIF	C36 H55 Cl Ni P3 Si	P -1	10.9905; 11.1304; 16.8144 78.237; 79.052; 61.648	1761.8	Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313
1514996	CIF	C86 H54 B F24 N2 Ni P3 Si	P -1	13.2952; 15.4595; 20.2687 74.996; 84.981; 83.775	3992.6	Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313
1514997	CIF	C87 H54 B F24 Ni O P3 Si	P -1	13.2892; 15.457; 20.2883 74.851; 85.107; 83.842	3992.3	Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313
1514998	CIF	C37 H32 Cl2 N2	C 1 2/c 1	28.982; 11.074; 9.7067 90; 101.66; 90	3051	Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007
1514999	CIF	C41 H35 Cl2 N2	C 1 2/c 1	32.92; 11.005; 9.624 90; 106.563; 90	3342	Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007
1515000	CIF	C20 H14 N2	P 1 21/n 1	10.7874; 6.1038; 11.5494 90; 104.177; 90	737.3	Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007
1515001	CIF	C32 H32 N4 O6	P -1	6.2483; 7.152; 16.741 101.417; 91.557; 92.041	732.4	Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007
1515002	CIF	C24 H18 N2	P 1 21/n 1	12.5981; 6.0734; 13.4724 90; 117.737; 90	912.37	Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007
1515003	CIF	C29 H23 Cl2 N2	C 1 2/c 1	22.398; 11.1946; 9.7652 90; 95.645; 90	2436.6	Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007
1515004	CIF	C33 H28 Cl2 N2	C 1 2/c 1	25.388; 11.126; 9.788 90; 94.187; 90	2757	Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007
1515005	CIF	C44 H42 Cl3 N7 O7	P 1 21/c 1	9.5229; 39.529; 11.6647 90; 98.282; 90	4345.2	Engle, Jeffrey M.; Carroll, Calden N.; Johnson, Darren W.; Haley, Michael M. Synthesis and optoelectronic properties of 2,6-bis(2-anilinoethynyl)pyridine scaffolds Chemical Science, 2012, 3, 1105
1515006	CIF	C72 H102 Nb2 O6 P4	P 1 21/c 1	18.9443; 21.565; 17.9908 90; 99.909; 90	7240.2	Velian, Alexandra; Cummins, Christopher C. Synthesis of a diniobium tetraphosphorus complex by a 2(3−1) process Chemical Science, 2012, 3, 1003
1515007	CIF	C46 H78 Co3 I4 N4 O5	P 1 21/c 1	11.79263; 21.62584; 22.16086 90; 102.592; 90	5515.64	Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245
1515008	CIF	C46 H78 Br4 Co3 N4 O5	P 1 21/c 1	11.69346; 20.8757; 22.0206 90; 102.034; 90	5257.3	Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245
1515009	CIF	C75.5 H123 Cl20 Co4 K N8 O4	P n m a	23.2374; 30.6555; 14.1318 90; 90; 90	10066.8	Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245
1515010	CIF	C76 H124 Cl21 Co4 K N8 O4	P 1 21/c 1	11.78965; 31.1301; 27.4398 90; 96.1289; 90	10013.2	Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245
1515011	CIF	C42 H74 Cl7 Co2 N5 O2	P 1 21/n 1	14.4425; 21.581; 16.8129 90; 105.087; 90	5059.69	Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245
1515012	CIF	C50 H86 Cl3 Co2 N6 O3	P -1	12.4636; 15.6121; 15.8197 69.978; 71.369; 85.244	2739.42	Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245
1515013	CIF	C42 H70 Cl3 Co2 N7 O2	P 1 21/n 1	15.09; 20.2875; 15.702 90; 104.082; 90	4662.54	Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245
1515014	CIF	C46 H76 Cl2 Co2 N6 O4	P -1	11.3806; 13.8405; 15.7508 96.278; 96.347; 91.87	2448.45	Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245
1515015	CIF	C45.5 H73 Cl11 Co2 N6 O2	C 1 2/c 1	35.3728; 20.4934; 19.9836 90; 124.046; 90	12003.2	Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245
1515016	CIF	C24 H28 Cl8 I4 N8 O8	P 42/n m c :2	18.1726; 18.1726; 7.0372 90; 90; 90	2323.99	Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235
1515017	CIF	C23 H29 Cl3 I4 N8 O8	C 1 2/c 1	26.3584; 7.034; 21.0654 90; 109.216; 90	3688.03	Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235
1515018	CIF	C26 H36 Cl8 I4 N8 O8	P 43 21 2	17.2587; 17.2587; 15.5855 90; 90; 90	4642.34	Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235
1515019	CIF	C26 H40 I4 N12 O16	I -4 c 2	16.8566; 16.8566; 14.5819 90; 90; 90	4143.37	Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235
1515020	CIF	C29 H36 I4 N8 O8	C 1 2/c 1	26.0769; 7.0625; 20.9842 90; 108.622; 90	3662.29	Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235
1515021	CIF	C17 H15 Br F3 N O3	P 1 21 1	9.0685; 9.5467; 10.5065 90; 107.563; 90	867.19	Corbett, Michael T.; Xu, Qihai; Johnson, Jeffrey S. Trisubstituted 2-Trifluoromethyl Pyrrolidines via Catalytic Asymmetric Michael Addition/Reductive Cyclization. Organic letters, 2014, 16, 2362-2365
1515022	CIF	C90 H77 N12 O7 U3	P 1 21/n 1	16.7294; 16.6323; 29.5917 90; 90.954; 90	8232.7	Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation–cation trimer of pentavalent uranyl Chemical Science, 2012, 3, 1075
1515023	CIF	C29 H23 Cl3 N4 O2 U	P -1	7.2599; 12.1368; 16.1046 99.775; 90.893; 95.133	1392.11	Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl Chemical Science, 2012, 3, 1075
1515024	CIF	C57.5 H44.25 N8.75 O5 U2	C 1 2/c 1	27.1234; 27.366; 28.2322 90; 90.531; 90	20954.7	Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl Chemical Science, 2012, 3, 1075
1515025	CIF	C52 H66 Cl2 Hg N O Sb	P 1 21/n 1	11.172; 34.082; 12.621 90; 99.244; 90	4743	Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128
1515026	CIF	C57 H60 F6 Hg N6 O P Sb	C 1 c 1	18.171; 28.753; 13.422 90; 130.397; 90	5341	Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128
1515027	CIF	C68 H52 F2 Hg2 O Sb2	P -1	12.689; 13.651; 16.06 97.184; 95.058; 102.804	2672	Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128
1515028	CIF	C38 H34 F6 Hg O1.5 P Sb	P 1 21/c 1	13.2206; 21.054; 13.5998 90; 118.154; 90	3337.6	Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128
1515029	CIF	C18 H29 I N4 O Pd S2	P -1	11.0114; 14.456; 15.04 86.364; 88.837; 84.021	2376	Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen “Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes Chemical Science, 2012, 3, 1211
1515030	CIF	C28 H33 N5 Pd S3	P -1	9.4934; 12.8359; 12.9362 85.96; 70.27; 84.36	1475.5	Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen “Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes Chemical Science, 2012, 3, 1211
1515031	CIF	C88 H178 Cu5 Ga30 N23 S54	P -1	22.414; 23.022; 23.782 95.8178; 116.725; 114.544	9322	Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200
1515032	CIF	C97.5 H192 Cl Cu5 Ga30 N24 S53.5	P -1	22.168; 22.846; 24.663 115.174; 111.389; 96.407	9985	Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200
1515033	CIF	C108 H210 Cl2 Cu5 In30 N25 S54	C 1 2/c 1	23.617; 40.808; 46.252 90; 94.748; 90	44423	Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200
1515034	CIF	C90 H186 Cu5 Ga30 N23 S56	P 63/m	23.018; 23.018; 42.321 90; 90; 120	19419	Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200
1515035	CIF	C42 H46 Fe N2 O9	P 1 21/c 1	13.831; 16.175; 18.572 90; 111.6; 90	3863	Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080
1515036	CIF	C74 H84 Cl Fe N5 O17	P -1	11.106; 17.783; 19.841 95.61; 100.94; 106.08	3649.6	Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080
1515037	CIF	C152 H172 Cl14 Fe2 N10 O34	P -1	15.7014; 18.6485; 28.3126 98.202; 99.703; 102.308	7845.3	Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080
1515038	CIF	C76 H92 Cl Fe N5 O17 S2	P 1 21/c 1	14.26; 39.5; 14.26 90; 95.55; 90	7994.6	Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080
1515039	CIF	C93 H117 F6 N7 O8 Pt2 S2	P -1	19.5557; 20.1957; 30.683 99.204; 101.673; 95.081	11622.6	Tanaka, Yuya; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian Phosphorescent molecular tweezers based on alkynylplatinum(ii) terpyridine system: turning on of NIR emission via heterologous Pt⋯M interactions (M = PtII, PdII, AuIII and AuI) Chemical Science, 2012, 3, 1185
1515040	CIF	C69 H93 Cu2 Dy6 N11 O54	P 1 21 1	11.2309; 23.8183; 20.3932 90; 102.308; 90	5329.8	Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169
1515041	CIF	C69 H93 Cu2 Gd6 N11 O54	P 1 21 1	11.3478; 24.0164; 20.6607 90; 102.06; 90	5506.5	Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169
1515042	CIF	C69 H93 Cu2 Dy6 N11 O54	P 1 21 1	11.259; 24.017; 20.506 90; 101.793; 90	5428	Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169
1515043	CIF	C69 H93 Cu2 N11 O54 Y6	P 1 21 1	11.36; 24; 20.66 90; 101.988; 90	5509.9	Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169
1515044	CIF	C29 H26 Cl N3 O5	P 21 21 21	9.5107; 10.1897; 27.7823 90; 90; 90	2692.4	Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles Chemical Science, 2012, 3, 1231
1515045	CIF	C21 H21 Br N2 O4	C 1 2 1	21.316; 6.3205; 17.4926 90; 112.859; 90	2171.6	Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles Chemical Science, 2012, 3, 1231
1515046	CIF	C50 H28 Cr Dy2 F38 N5 O16	C 1 2/c 1	26.3208; 15.7874; 18.718 90; 115.474; 90	7021.8	Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster Chemical Science, 2012, 3, 1024
1515047	CIF	C40 H24 Cr Dy F26 N4 O8	P -1	12.515; 19.836; 21.392 85.52; 81.35; 86.229	5226	Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster Chemical Science, 2012, 3, 1024
1515048	CIF	C348 H354 Cl6 Co24 N6 O72 S24	I a -3	48.8463; 48.8463; 48.8463 90; 90; 90	116545	Xiong, Kecai; Jiang, Feilong; Gai, Yanli; Yuan, Daqiang; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Hong, Maochun Truncated octahedral coordination cage incorporating six tetranuclear-metal building blocks and twelve linear edges Chemical Science, 2012, 3, 2321
1515049	CIF	C74 H106 N4 O3 Y2	P -1	12.5958; 15.8; 20.902 76.137; 76.659; 83.229	3921	Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230
1515050	CIF	C81 H114 Lu2 N4 O3	P -1	13.2117; 14.827; 23.057 81.78; 73.628; 66.103	3959.9	Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230
1515051	CIF	C81 H123 N4 O4.5 Si Y2	P 1 21/n 1	13.0663; 38.724; 15.781 90; 93.796; 90	7967	Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230
1515052	CIF	C83 H115 N5 O3 Y2	P 1 21/c 1	11.898; 23.121; 35.564 90; 90.028; 90	9783	Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230
1515053	CIF	C88 H116 Lu2 N4 O3	P -1	13.437; 14.939; 22.326 107.399; 102.549; 100.158	4031.9	Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230
1515054	CIF	C84 H108 Lu2 N4 O2	P -1	12.53; 16.733; 22.194 107.824; 103.291; 91.97	4284	Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230
1515055	CIF	C80 H100 Lu2 N4 O	P -1	15.161; 17.449; 18.27 76.958; 76.864; 70.969	4388.8	Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230
1515056	CIF	C86 H108 N4 O2 Y2	P -1	13.731; 15.277; 22.821 97.855; 98.334; 99.894	4601.6	Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230
1515057	CIF	C159 H0 Co5 O25	P 1 21 1	19.3772; 34.3744; 20.7308 90; 115.432; 90	12470.3	Wen, Liang; Cheng, Peng; Lin, Wenbin Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities Chemical Science, 2012, 3, 2288
1515058	CIF	C159 H O24 Zn4	P 1 21 1	20.6536; 33.4974; 20.7926 90; 118.619; 90	12627.7	Wen, Liang; Cheng, Peng; Lin, Wenbin Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities Chemical Science, 2012, 3, 2288
1515059	CIF	C10 H18 N2 O4 S	P 1 21/c 1	10.5431; 9.835; 12.1245 90; 92.891; 90	1255.6	Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science, 2012, 3, 2375
1515060	CIF	C19 H32 N2 O6 S	P 1 21/c 1	10.1825; 21.4793; 20.4614 90; 103.9; 90	4344.1	Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science, 2012, 3, 2375
1515061	CIF	C15 H20 N2 O4 S	P 1 21/n 1	5.8032; 20.518; 12.8411 90; 97.101; 90	1517.3	Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science, 2012, 3, 2375
1515062	CIF	C26 H26 N2 O4 S	P 1 21/c 1	6.5173; 21.874; 15.6036 90; 90.991; 90	2224.1	Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science, 2012, 3, 2375
1515063	CIF	C13 H22 N2 O4 S	P 1 21/c 1	13.355; 10.423; 11.32 90; 107.797; 90	1500.3	Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian Metal-free diamination of alkenes employing bromide catalysis Chemical Science, 2012, 3, 2375
1515064	CIF	C101.5 H146.5 O96 Pb14	P 21 21 21	15.6077; 24.196; 38.766 90; 90; 90	14640	Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties Chemical Science, 2012, 3, 2282
1515065	CIF	C96 H128 O89 Pb16	P 1 21 1	20.126; 18.866; 22.188 90; 94.783; 90	8395	Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties Chemical Science, 2012, 3, 2282
1515066	CIF	C22 H30 N4 O8	P 1 21/c 1	9.58; 16.55; 7.69 90; 112.13; 90	1129.4	Johnston, Priscilla; Braybrook, Carl; Saito, Kei Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization Chemical Science, 2012, 3, 2301
1515067	CIF	C24 H36 N4 O9	C 1 2/c 1	22.4706; 9.36; 16.0501 90; 131.959; 90	2510.3	Johnston, Priscilla; Braybrook, Carl; Saito, Kei Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization Chemical Science, 2012, 3, 2301
1515068	CIF	C20 H30 N6 O7	P 42/n :2	22.26; 22.26; 4.77 90; 90; 90	2363.6	Johnston, Priscilla; Braybrook, Carl; Saito, Kei Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization Chemical Science, 2012, 3, 2301
1515069	CIF	C84 H94 O12	P 21 21 21	9.824; 20.306; 36.358 90; 90; 90	7253	Ishii, Yuuki; Nakanishi, Yusuke; Omachi, Haruka; Matsuura, Sanae; Matsui, Katsuma; Shinohara, Hisanori; Segawa, Yasutomo; Itami, Kenichiro Size-selective synthesis of [9]–[11] and [13]cycloparaphenylenes Chemical Science, 2012, 3, 2340
1515070	CIF	C35.5 H31 Co N3 O9.5	P 1 21/c 1	12.565; 29.618; 9.858 90; 105.695; 90	3531.9	Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework Chemical Science, 2012, 3, 2993
1515071	CIF	C72 H66 Co2 N10 O18	P -1	10.09; 16.362; 24.453 106.75; 92.97; 103.16	3734.2	Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework Chemical Science, 2012, 3, 2993
1515072	CIF	C28 H26 O4	P 1 21/n 1	13.83; 8.0116; 21.166 90; 104.203; 90	2273.5	Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions Chemical Science, 2012, 3, 3053
1515073	CIF	C22 H25 N3 O7	C 1 c 1	15.778; 16.681; 8.324 90; 95.55; 90	2180.5	Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions Chemical Science, 2012, 3, 3053
1515074	CIF	C48 H32	P 1 21/n 1	12.9325; 8.0103; 19.3676 90; 105.363; 90	1934.66	Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP Chemical Science, 2012, 3, 3018
1515075	CIF	C60 H40	P 1 21/c 1	15.9075; 8.1405; 20.7418 90; 108.655; 90	2544.84	Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP Chemical Science, 2012, 3, 3018
1515076	CIF	C120 H40	P -1	12.8737; 19.0556; 27.2224 69.54; 79.038; 79.051	6087.1	Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP Chemical Science, 2012, 3, 3018
1515077	CIF	C81 H28 Cu2 O18	P b a n :2	28.532; 33.426; 16.0881 90; 90; 90	15343	Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities Chemical Science, 2012, 3, 3032
1515078	CIF	C34.71 H20 O8 Zn1.71	I -4 2 d	36.3615; 36.3615; 34.7679 90; 90; 90	45968.7	Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities Chemical Science, 2012, 3, 3032
1515079	CIF	C42 H74 I2 Mn2 O2	P -1	9.232; 9.9138; 13.3547 105.125; 102.783; 100.418	1113.14	Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D. Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis Chemical Science, 2012, 3, 2972
1515080	CIF	C78 H146 Mn5	C 1 2/c 1	27.5131; 12.7588; 25.2896 90; 114.339; 90	8088.5	Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D. Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis Chemical Science, 2012, 3, 2972
1515081	CIF	C78 H146 Mn5	C 1 2/c 1	27.484; 12.7411; 25.273 90; 114.331; 90	8064	Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D. Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis Chemical Science, 2012, 3, 2972
1515082	CIF	C26.5 H22 Cl3 N O3	P 1 21 1	10.149; 11.5785; 19.7361 90; 93.295; 90	2315.36	Gómez-Bengoa, Enrique; Jiménez, Jacqueline; Lapuerta, Irati; Mielgo, Antonia; Oiarbide, Mikel; Otazo, Itziar; Velilla, Irene; Vera, Silvia; Palomo, Claudio Combined α,α-dialkylprolinol ether/Brønsted acid promotes Mannich reactions of aldehydes with unactivated imines. An entry to anti-configured propargylic amino alcohols Chemical Science, 2012, 3, 2949
1515083	CIF	C4 H5 Ag N2	P 1 21/n 1	7.8946; 5.9692; 10.8812 90; 92.454; 90	512.3	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515084	CIF	C4 H5 Ag N2	P 1 21/n 1	7.8401; 5.9549; 10.8935 90; 92.556; 90	508.08	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515085	CIF	C4 H5 Ag N2	P 1 21/n 1	7.7899; 5.9402; 10.9075 90; 92.67; 90	504.18	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515086	CIF	C4 H5 Ag N2	P 1 21/n 1	7.7378; 5.9245; 10.9232 90; 92.821; 90	500.14	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515087	CIF	C4 H5 Ag N2	P 1 21/n 1	7.6885; 5.9097; 10.9351 90; 92.984; 90	496.18	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515088	CIF	C4 H5 Ag N2	P 1 21/n 1	7.8926; 5.9767; 10.8739 90; 92.47; 90	512.46	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515089	CIF	C4 H5 Ag N2	P 1 21/n 1	7.433; 5.8092; 10.9101 90; 93.736; 90	470.09	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515090	CIF	C4 H5 Ag N2	P 1 21/n 1	7.2027; 5.6926; 10.9057 90; 94.504; 90	445.78	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515091	CIF	C4 H5 Ag N2	P 1 21/n 1	7.0544; 5.6024; 10.8873 90; 95.062; 90	428.61	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515092	CIF	C4 H5 Ag N2	P 1 21/n 1	6.992; 5.559; 10.875 90; 95.344; 90	420.86	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515093	CIF	C4 H5 Ag N2	P 1 21/n 1	6.9259; 5.5072; 10.8549 90; 95.667; 90	412.01	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515094	CIF	C4 H5 Ag N2	P 1 21/n 1	6.871; 5.467; 10.8393 90; 95.878; 90	405.02	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515095	CIF	C4 H5 Ag N2	P 1 21/n 1	6.828; 5.4298; 10.8209 90; 96.076; 90	398.93	Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011
1515096	CIF	C69 H54 Ag F9 N8 O9 S3	P 1 21/c 1	17.533; 20.0767; 21.7131 90; 96.387; 90	7595.7	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515097	CIF	C136 H104 Ag4 F12 N16 O12 S4	P 1 2/n 1	17.1508; 16.7972; 24.955 90; 106.286; 90	6900.7	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515098	CIF	C132 H104 Ag4 F24 N16 P4	P -1	14.122; 17.707; 32.571 93.111; 97.694; 109.952	7543	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515099	CIF	C68 H52 F6 N8 O6 Pt S2	P 1 21/c 1	28.295; 8.808; 29.743 90; 97.637; 90	7346.9	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515100	CIF	C72 H64 F6 N8 O8 Ru S4	P 1 21/n 1	12.306; 18.427; 16.292 90; 100.907; 90	3627.7	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515101	CIF	C69 H54 Cl2 Co F6 N8 O6 S2	P 1 21/n 1	16.995; 13.564; 27.388 90; 93.097; 90	6304	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515102	CIF	C70 H58 Cl2 Cr F6 N10 P	P 1 21 1	12.1931; 13.7529; 18.886 90; 91.471; 90	3166	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515103	CIF	C68 H54 Ag3 Cl4 F3 N8 O3 S	C 1 2/c 1	33.096; 16.4589; 26.678 90; 120.04; 90	12580.1	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515104	CIF	C68 H52 F6 N8 O6 Pd S2	P 1 21/c 1	28.29; 8.8229; 29.69 90; 97.815; 90	7341.8	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515105	CIF	C68 H52 F6 N8 Ni O6 S2	P 1 21/n 1	17.1544; 28.6906; 29.7309 90; 104.592; 90	14160.7	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515106	CIF	C66 H52 F6 I2 N8 P Rh	P 1 21 1	12.646; 13.785; 18.779 90; 90.702; 90	3273	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515107	CIF	C69 H52 Au F9 N8 O9 S3	P 1 21/n 1	18.2751; 13.6076; 27.721 90; 92.926; 90	6884.7	Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081
1515108	CIF	C45 H35 Cl4 Co2 F18 N10 O2 P3	P 1 21/c 1	13.6543; 24.252; 18.6535 90; 94.437; 90	6158.5	Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S. Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution Chemical Science, 2012, 3, 3058
1515109	CIF	C47 H53 Co2 F18 N14 O3 P3	P -1	12.15; 13.31; 17.433 95.7; 96.001; 107.53	2648	Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S. Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution Chemical Science, 2012, 3, 3058
1515110	CIF	C25 H29 Br2 Cl3 N2 O2	P 1 21/n 1	8.6872; 24.892; 12.6503 90; 92.44; 90	2733	Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986
1515111	CIF	C23 H29 Br2 Cl3 N2	P 1 2/c 1	18.893; 8.2648; 17.927 90; 108.099; 90	2660.7	Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986
1515112	CIF	C22.5 H27.5 Br2 Cl4.5 N2	P b c a	28.784; 28.621; 13.801 90; 90; 90	11370	Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986
1515113	CIF	C24 H28 N2 O3	P -1	8.005; 8.772; 16.048 91.431; 103.924; 98.836	1078.5	Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986
1515114	CIF	C26 H34 N2 O2 S2	P 1 21/c 1	14.9337; 11.8693; 13.6108 90; 92.054; 90	2411	Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986
1515115	CIF	C36 H38 N2 O2 S2	P -1	11.0307; 12.136; 12.8498 69.777; 79.796; 85.828	1588.5	Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986
1515116	CIF	C36 H34 N2 O4	P 1 21/n 1	11.5; 17.626; 14.155 90; 91.498; 90	2868.2	Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986
1515117	CIF	C10 H10 B2 N2	P b c n	19.076; 9.301; 10.997 90; 90; 90	1951.2	Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair Chemical Science, 2012, 3, 825
1515118	CIF	C12 H10 B N	F d d 2	23.388; 31.934; 5.423 90; 90; 90	4050	Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair Chemical Science, 2012, 3, 825
1515119	CIF	C19 H23 N7 O11	P -1	9.537; 11.248; 12.439 107.701; 97.463; 104.937	1196.4	Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science, 2012, 3, 683
1515120	CIF	C19 H23 N7 O11	P -1	9.51; 11.31; 12.46 107.583; 97.533; 104.719	1204	Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science, 2012, 3, 683
1515121	CIF	C19 H23 N7 O11	P -1	9.525; 11.38; 12.488 107.619; 97.507; 104.894	1214	Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science, 2012, 3, 683
1515122	CIF	C22 H22 O4	P 1 21/c 1	9.534; 19.6; 10.977 90; 110.365; 90	1923	Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766
1515123	CIF	C22 H29 N O4	P 1 21/c 1	16.399; 7.8427; 16.851 90; 108.538; 90	2054.8	Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766
1515124	CIF	C14 H16 O5	P 1 21/n 1	14.348; 11.622; 16.672 90; 103.442; 90	2703.9	Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766
1515125	CIF	C21 H29 N O4	P 1 21/n 1	11.21; 16.029; 11.499 90; 102.731; 90	2015.4	Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766
1515126	CIF	C19 H21 N3 O4	I b a 2	17.443; 21.703; 9.844 90; 90; 90	3726.6	Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766
1515127	CIF	C46 H63 N5 Ti	P -1	9.6914; 12.1082; 22.0163 80.771; 79.72; 73.3185	2418.67	Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science, 2012, 3, 819
1515128	CIF	C52 H69 Li3 N6 Ti	P 1 21 1	10.2991; 19.4178; 13.0747 90; 101.982; 90	2557.8	Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science, 2012, 3, 819
1515129	CIF	C57.5 H82.5 Li2 N5.5 O0.5 Ti	P n a 21	18.4575; 16.9731; 17.726 90; 90; 90	5553.22	Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science, 2012, 3, 819
1515130	CIF	C40 H46 N2 O14 Ru2	C 1 2/c 1	23.769; 15.938; 13.3495 90; 102.022; 90	4946.3	Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science, 2012, 3, 701
1515131	CIF	C259 H247 Cl69 N8 O56 Ru8	P -1	16.0499; 24.504; 26.963 70.041; 77.399; 81.696	9699	Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science, 2012, 3, 701
1515132	CIF	C122 H120 Cl8 N4 O28 Ru4	P -1	12.0083; 15.379; 20.885 85.969; 78.367; 87.615	3766.9	Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science, 2012, 3, 701
1515133	CIF	C28 H24 Au F6 N4 P	P 1 21/c 1	16.2749; 7.2655; 22.8836 90; 91.975; 90	2704.3	Lu, Wei; Chan, Kaai Tung; Wu, Shui-Xing; Chen, Yong; Che, Chi-Ming Quest for an intermolecular Au(iii)⋯Au(iii) interaction between cyclometalated gold(iii) cations Chemical Science, 2012, 3, 752
1515134	CIF	F6 Fe2 Rb	P n m a	7.0177; 7.4499; 10.1765 90; 90; 90	532.04	Kim, Sun Woo; Kim, Sang-Hwan; Halasyamani, P. Shiv; Green, Mark A.; Bhatti, Kanwal Preet; Leighton, C.; Das, Hena; Fennie, Craig J. RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride Chemical Science, 2012, 3, 741
1515135	CIF	C44.1 H48.4 F12 N6 O8.1 Pd Sb2	P -1	12.85; 15.422; 16.768 66.868; 88.549; 80.667	3012.7	Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D. Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery Chemical Science, 2012, 3, 778
1515136	CIF	C76 H56 Cl4 N16 Pd2 Pt2	P -1	11.9663; 12.345; 17.495 76.455; 83.846; 85.135	2493.3	Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D. Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery Chemical Science, 2012, 3, 778
1515137	CIF	C29 H57 O4 Si2	P 21 21 21	12.0562; 13.9646; 18.9224 90; 90; 90	3185.8	Shareef, Abdur-Rafay; Sherman, David H.; Montgomery, John Nickel-Catalyzed Regiodivergent Approach to Macrolide Motifs. Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 892-895
1515138	CIF	C24 H32 Fe	P -1	9.731; 11.057; 18.275 89.321; 76.443; 87.163	1909.2	Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science, 2012, 3, 830
1515139	CIF	C18 H16 Fe	P 1 21/c 1	8.2905; 11.7186; 13.8485 90; 106.91; 90	1287.3	Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science, 2012, 3, 830
1515140	CIF	C12 H8 D4 Fe	P b c a	7.3925; 12.3693; 19.4209 90; 90; 90	1775.85	Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science, 2012, 3, 830
1515141	CIF	C12 H52 Mn2 Mo12 N8 Na2 O74 P8 Zn3	C 1 2/c 1	30.829; 14.572; 24.908 90; 123.658; 90	9313.8	Du, Dong-Ying; Qin, Jun-Sheng; Wang, Ting-Ting; Li, Shun-Li; Su, Zhong-Min; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Wang, En-Bo Polyoxometalate-based crystalline tubular microreactor: redox-active inorganic‒organic hybrid materials producing gold nanoparticles and catalytic properties Chemical Science, 2012, 3, 705
1515142	CIF	C104.75 H113.5 Dy2 N10 O16.25	P 1 21/n 1	21.5894; 20.9227; 23.8146 90; 109.321; 90	10151.4	Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science, 2012, 3, 2158
1515143	CIF	C129.5 H133.5 Dy2 N10.5 O17.5	P -1	14.3544; 18.9741; 23.049 86.019; 81.988; 79.315	6102.5	Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science, 2012, 3, 2158
1515144	CIF	C144.5 H165 Dy2 N10 O19.5	P 1 21/n 1	11.784; 22.87; 52.23 90; 95.811; 90	14004	Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science, 2012, 3, 2158
1515145	CIF	C28 H29 N O S	P 21 21 21	9.357; 13.439; 18.66 90; 90; 90	2346	Yamaguchi, Kazuya; Yamaguchi, Junichiro; Studer, Armido; Itami, Kenichiro Hindered biaryls by C–H coupling: bisoxazoline-Pd catalysis leading to enantioselective C–H coupling Chemical Science, 2012, 3, 2165
1515146	CIF	C6 H3 N4 Ni0.1 O3.25 Zn	F m -3 m	25.838; 25.838; 25.838 90; 90; 90	17249.5	Brozek, Carl K.; Dincă, Mircea Lattice-imposed geometry in metal‒organic frameworks: lacunary Zn4O clusters in MOF-5 serve as tripodal chelating ligands for Ni2+ Chemical Science, 2012, 3, 2110
1515147	CIF	C21 H15 Br N2 O2	P 21 21 21	8.712; 12.244; 16.51 90; 90; 90	1761.1	Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D. Catalytic asymmetric α-amination of carboxylic acids using isothioureas Chemical Science, 2012, 3, 2088
1515148	CIF	C49.9 H48.6 Cl0.2 N O3.9 S	P 1 21/c 1	20.1837; 9.1091; 23.0754 90; 110.794; 90	3966.2	Chen, Sijie; Liu, Jianzhao; Liu, Yang; Su, Huimin; Hong, Yuning; Jim, Cathy K. W.; Kwok, Ryan T. K.; Zhao, Na; Qin, Wei; Lam, Jacky W. Y.; Wong, Kam Sing; Tang, Ben Zhong An AIE-active hemicyanine fluorogen with stimuli-responsive red/blue emission: extending the pH sensing range by “switch + knob” effect Chemical Science, 2012, 3, 1804
1515149	CIF	C8 H4 Br2 O2	C 1 2/c 1	17.3296; 3.8995; 13.8867 90; 114.947; 90	850.86	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515150	CIF	C16 H8 Br2 O4	C 1 2/c 1	13.2036; 7.7069; 14.7968 90; 107.154; 90	1438.72	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515151	CIF	C32 H16 Br2 O8	C 1 2/c 1	13.3084; 6.8541; 29.076 90; 93.477; 90	2647.35	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515152	CIF	C12 H6 I2 O3	P 1 21/c 1	8.6955; 11.3755; 13.3637 90; 103.355; 90	1286.13	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515153	CIF	C20 H10 Br2 O5	C 1 c 1	8.1262; 15.991; 13.825 90; 101.243; 90	1762	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515154	CIF	C28 H14 Br2 O7	P -1	7.3671; 12.397; 13.127 92.975; 93.428; 95.781	1188.6	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515155	CIF	C24 H12 Br2 O6	P -1	6.9255; 7.3969; 11.6514 72.785; 78.03; 63.603	508.68	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515156	CIF	C24 H14 O6	P 1 21/a 1	5.9382; 22.9614; 6.718 90; 91.539; 90	915.66	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515157	CIF	C8 H6 O2	P 1 21/n 1	8.9805; 7.2435; 15.1904 90; 97.9427; 90	978.66	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515158	CIF	C12 H8 O3	P c a 21	24.2219; 5.1953; 7.4212 90; 90; 90	933.88	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515159	CIF	C12 H6 O3	C 1 2/c 1	15.185; 8.7609; 7.1418 90; 116.501; 90	850.27	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515160	CIF	C16 H8 O4	A b a 2	8.8594; 8.8592; 46.7607 90; 90; 90	3670.12	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133
1515161	CIF	C40 H34 N10 O9	P 21 21 21	10.3551; 13.6824; 25.595 90; 90; 90	3626.4	Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042
1515162	CIF	C40 H32 Cl2 N10 O8	P 21 21 21	10.5103; 13.662; 25.537 90; 90; 90	3666.9	Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042
1515163	CIF	C40 H32 Cl2 N10 O8	P 21 21 21	10.5003; 13.6695; 25.51 90; 90; 90	3661.5	Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042
1515164	CIF	C41 H33.25 Cl0.25 F N9 O8.75	P 21 21 21	10.4183; 13.6836; 25.671 90; 90; 90	3659.7	Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042
1515165	CIF	C41 H33 N9 O9	P 1 21/n 1	7.8466; 33.387; 14.0698 90; 94.602; 90	3674	Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042
1515166	CIF	C46 H36 N10 O9	P -1	10.611; 12.959; 16.4525 73.499; 77.989; 72.668	2051.8	Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042
1515167	CIF	C32 H60 N4 O6 Rh2	P 1 21/c 1	6.9865; 19.2728; 14.239 90; 103.327; 90	1865.64	Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system Chemical Science, 2012, 3, 1785
1515168	CIF	C20 H34 N6 O6 Rh2	P 1 21/n 1	16.372; 8.7441; 17.2355 90; 104.039; 90	2393.71	Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system Chemical Science, 2012, 3, 1785
1515169	CIF	C108 H168 N12	C 2 2 21	18.9708; 25.2751; 26.5778 90; 90; 90	12743.8	Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L. Alkylated organic cages: from porous crystals to neat liquids Chemical Science, 2012, 3, 2153
1515170	CIF	C123 H195 Cl9 N12	I 2 3	19.2362; 19.2362; 19.2362 90; 90; 90	7118	Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L. Alkylated organic cages: from porous crystals to neat liquids Chemical Science, 2012, 3, 2153
1515171	CIF	C24 H24 N4 O2 S2	P 21 21 21	8.5206; 13.968; 18.439 90; 90; 90	2194.5	Boyer, Nicolas; Movassaghi, Mohammad Concise Total Synthesis of (+)-Gliocladins B and C. Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1798-1803
1515172	CIF	C49 H50 F O9 P	P 21 21 2	24.661; 27.676; 6.5393 90; 90; 90	4463.2	Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L. Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity Chemical Science, 2012, 3, 1866
1515173	CIF	C49 H50 F O9 P	P 1 21 1	17.7436; 5.5873; 22.281 90; 105.469; 90	2128.9	Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L. Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity Chemical Science, 2012, 3, 1866
1515174	CIF	C18 H21 Au N3 P	P 21 21 21	10.131; 16.286; 22.312 90; 90; 90	3681	Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line Chemical Science, 2012, 3, 2062
1515175	CIF	C44 H57 I2 N7 O	P 1 21/c 1	9.249; 36.15; 14.659 90; 109.97; 90	4606.6	Sokkalingam, Punidha; Kim, Dong Sub; Hwang, Hyonseok; Sessler, Jonathan L.; Lee, Chang-Hee A dicationic calix[4]pyrrole derivative and its use for the selective recognition and displacement-based sensing of pyrophosphate Chemical Science, 2012, 3, 1819
1515176	CIF	C35.5 B Cl D F25 O	C 1 2/c 1	28.351; 13.1576; 19.608 90; 112.633; 90	6751.1	Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex Chemical Science, 2012, 3, 1814
1515177	CIF	C41.25 H10.5 B Cl0.25 F25 N2	P -1	11.003; 19.158; 20.004 76.77; 85.03; 73.96	3943.8	Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex Chemical Science, 2012, 3, 1814
1515178	CIF	C23 H22 O5	P 1	7.7512; 8.1381; 8.4256 69.558; 79.669; 74.031	476.75	Li, Jun-Long; Zhou, Si-Li; Chen, Peng-Qiao; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun Asymmetric Diels–Alder reaction of β,β-disubstituted enals and chromone-fused dienes: construction of collections with high molecular complexity and skeletal diversity Chemical Science, 2012, 3, 1879
1515179	CIF	C12 H12 O3	P 1 21/c 1	11.846; 6.8888; 12.417 90; 99.999; 90	997.9	Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975
1515180	CIF	C13 H14 O3	P -1	9.013; 9.018; 28.9 87.731; 87.947; 89.841	2346	Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975
1515181	CIF	C16 H18 O2 S2	P 1 21/c 1	7.089; 15.631; 13.579 90; 92.518; 90	1503.2	Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975
1515182	CIF	C18 H16 O2	P n a 21	19.372; 5.761; 24.488 90; 90; 90	2733	Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975
1515183	CIF	C30 H32 B F16 O P	P -1	11.177; 11.228; 13.582 69.214; 82.733; 82.327	1573.5	Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123
1515184	CIF	C21 H14 B F16 O P	P 1 21/c 1	16.1479; 9.9549; 15.5394 90; 109.713; 90	2351.6	Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123
1515185	CIF	C25 H14 B F16 N O	P -1	9.1801; 10.333; 13.984 82.073; 74.808; 80.634	1256.7	Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123
1515186	CIF	C27 H24 B F16 N O	P 1 21/n 1	11.1705; 16.0049; 15.9286 90; 95.113; 90	2836.4	Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123
1515187	CIF	C25.5 H17 B Cl F16 N O	P -1	11.938; 15.0103; 16.2877 108.689; 100.946; 90.15	2708.1	Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123
1515188	CIF	C26 H18 B F16 N O	P 1 21/n 1	9.4047; 11.0955; 25.2965 90; 95.391; 90	2628	Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123
1515189	CIF	C29 H22 B F16 N2 O	P -1	10.7955; 17.5647; 20.0048 67.706; 77.881; 89.561	3420.7	Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123
1515190	CIF	C43.99 H27.98 B Cl1.98 F16 O P	P 1 21/c 1	17.2019; 14.7018; 16.5689 90; 96.135; 90	4166.3	Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123
1515191	CIF	C28 H28 B F16 N O	P 1 21/n 1	11.1411; 17.8797; 14.7969 90; 98.591; 90	2914.5	Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123
1515192	CIF	C8 H10 N12 O Zn	R -3 :H	23.862; 23.862; 14.686 90; 90; 120	7241.8	Qin, Jun-Sheng; Du, Dong-Ying; Li, Wen-Liang; Zhang, Jing-Ping; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Xu, Qiang; Shao, Kui-Zhan; Lan, Ya-Qian N-rich zeolite-like metal‒organic framework with sodalite topology: high CO2 uptake, selective gas adsorption and efficient drug delivery Chemical Science, 2012, 3, 2114
1515193	CIF	C44 H38 N6 O2 S6 Zn2	P -1	12.575; 13.205; 14.031 112.044; 95.622; 104.585	2041.3	Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015
1515194	CIF	C31 H47 B N6 O3 Zn	P 1 21/n 1	10.75; 19.725; 15.634 90; 91.283; 90	3314	Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015
1515195	CIF	C39 H30 N6 O3 S6 Zn2	P 1 21/c 1	22.3176; 10.4067; 17.2733 90; 99.229; 90	3959.8	Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015
1515196	CIF	C23 H19 N3 O3 S3 Zn	P 1 21/n 1	8.928; 14.6268; 18.4948 90; 103.861; 90	2344.9	Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015
1515197	CIF	C35 H28 N6 O3.5 S6 Zn2	C 1 2/c 1	31.669; 8.7545; 28.505 90; 108.802; 90	7481	Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015
1515198	CIF	C40.75 H36 N6 O2 S6 Zn2	P -1	12.632; 15.474; 22.903 93.59; 96.263; 107.39	4225.2	Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015
1515199	CIF	C33 H24 N6 O3 S6 Zn2	P 1 21/n 1	8.8656; 28.048; 14.4431 90; 102.816; 90	3502	Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015
1515200	CIF	C48 H72 K2 N6 O18	P 1 21/n 1	22.76; 7.558; 31.61 90; 97.626; 90	5389	Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A. Tunable transmembrane chloride transport by bis-indolylureas Chemical Science, 2012, 3, 1436
1515201	CIF	C56 H104 N8 O10 P2	C 1 2/c 1	19.3998; 20.67; 16.7096 90; 112.026; 90	6211.4	Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A. Tunable transmembrane chloride transport by bis-indolylureas Chemical Science, 2012, 3, 1436
1515202	CIF	C45 H45 Cl5 Fe N3 O4 P	P 1 21/c 1	19.234; 14.717; 16.801 90; 107.866; 90	4526.5	McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J' Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693
1515203	CIF	C30 H26 Fe2 N6 O9	C 1 2/c 1	18.81; 8.8413; 23.661 90; 109.478; 90	3709.7	McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J' Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693
1515204	CIF	C42 H58 Fe2 N6 O13	C 1 2/c 1	24.8834; 8.8381; 24.4677 90; 120.136; 90	4653.7	McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J' Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693
1515205	CIF	C39 H37 Cl2 N2 O6 P Pd	P 1 21/c 1	10.7223; 21.7779; 16.3387 90; 105.321; 90	3679.6	Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656
1515206	CIF	C39 H37 Cl2 N2 O6 P Pd	P 1 21/c 1	10.7119; 21.742; 16.4105 90; 105.404; 90	3684.7	Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656
1515207	CIF	C39 H37 Cl2 N2 O6 P Pd	P 1 21/c 1	10.7245; 21.8948; 16.3488 90; 105.251; 90	3703.7	Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656
1515208	CIF	C39 H37 Cl2 N2 O6 P Pd	P 1 21/c 1	10.786; 22.362; 16.405 90; 104.945; 90	3823	Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656
1515209	CIF	C39 H37 Cl2 N2 O6 P Pd	P 1 21/c 1	10.7248; 22.0346; 16.3099 90; 105.166; 90	3720.1	Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656
1515210	CIF	C39 H37 Cl2 N2 O6 P Pd	P 1 21/c 1	10.7075; 21.8698; 16.3273 90; 105.309; 90	3687.7	Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656
1515211	CIF	C39 H37 Cl2 N2 O6 P Pd	P 1 21/c 1	10.6878; 21.7334; 16.3349 90; 105.419; 90	3657.7	Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656
1515212	CIF	C50 H55 N5 O12 Pd2	P -1	11.125; 15.392; 15.758 74.695; 77.903; 70.463	2430.9	Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656
1515213	CIF	C42 H48 N8 O12 Pd	P -1	8.435; 10.2678; 13.5105 77.953; 76.502; 72.666	1073.86	Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656
1515214	CIF	C41 H40 Cl2 N O6 P Pd	C 1 2/c 1	47.4181; 11.0136; 17.7382 90; 107.608; 90	8829.7	Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656
1515215	CIF	C12 H25 N3 O4 Pd	P 1 21/n 1	10.5351; 9.7782; 15.3104 90; 90.555; 90	1577.12	Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656
1515216	CIF	C122 H124 Br2 Cl12 N8 O4 Zn2	P -1	10.337; 15.431; 19.611 82.82; 84.35; 82.95	3069.2	Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541
1515217	CIF	C150 H162 N12 O2 Zn2	P -1	11.998; 14.379; 19.482 82.891; 87.456; 76.474	3242.3	Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541
1515218	CIF	C154.044 H162.374 N11.518 O2 Zn2	P -1	10.038; 18.807; 19.38 78.31; 84.46; 82.55	3543	Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541
1515219	CIF	C184 H178 N10 Zn2	P -1	11.254; 16.718; 19.85 83.634; 79.865; 87.849	3653.1	Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541
1515220	CIF	C236 H235 Br2 Cl3 N16 O8 Zn4	P -1	15.4354; 16.6155; 21.9618 98.915; 98.974; 93.126	5478.4	Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541
1515221	CIF	C172 H182 N16 Zn2	P -1	12.428; 14.323; 21.854 80.953; 87.36; 69.226	3592	Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541
1515222	CIF	C28 H28 N4 O5	P 21 21 21	8.5307; 9.5523; 30.0128 90; 90; 90	2445.7	Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M. Molecular scaffolds with remote directing groups for selective palladium-catalyzed C–H bond functionalizations Chemical Science, 2012, 3, 1623
1515223	CIF	C26 H25 N3 O3.35 Pd	P 21 21 21	10.6627; 13.0584; 17.7049 90; 90; 90	2465.19	Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M. Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations Chemical Science, 2012, 3, 1623
1515224	CIF	C68 H75 N3 O17 Rh2	P 1 21 1	9.957; 21.918; 15.524 90; 104.837; 90	3275	Boruta, David T.; Dmitrenko, Olga; Yap, Glenn P. A.; Fox, Joseph M. Rh(2)(S-PTTL)(3)TPA-A Mixed Ligand Dirhodium(II) Catalyst for Enantioselective Reactions of α-Alkyl-α-Diazoesters. Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1589-1593
1515225	CIF	C134 Cl6 D2 F28	P n m a	9.9798; 16.4442; 24.1424 90; 90; 90	3962	Kuvychko, Igor V.; Whitaker, James B.; Larson, Bryon W.; Folsom, Travis C.; Shustova, Natalia B.; Avdoshenko, Stanislav M.; Chen, Yu-Sheng; Wen, Hui; Wang, Xue-Bin; Dunsch, Lothar; Popov, Alexey A.; Boltalina, Olga V.; Strauss, Steven H. Substituent effects in a series of 1,7-C60(RF)2 compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlated Chemical Science, 2012, 3, 1399
1515226	CIF	C35 H33 Fe N2 O4.41 P	P 21 21 21	8.45; 11.0814; 32.443 90; 90; 90	3037.9	Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P. Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions Chemical Science, 2012, 3, 1486
1515227	CIF	C34 H31 Fe N2 O4 P	P 1 21 1	7.0453; 24.2072; 9.1599 90; 109.031; 90	1476.81	Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P. Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions Chemical Science, 2012, 3, 1486
1515228	CIF	C14 H12 Cl3 N5 Os	C 1 2/c 1	14.4225; 13.237; 9.0745 90; 102.821; 90	1689.2	Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582
1515229	CIF	C8 H12 Cl3 N5 Os	C 1 2/c 1	10.314; 15.45; 8.562 90; 96.39; 90	1355.9	Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582
1515230	CIF	C10 H16 Cl3 N5 Os	C 1 2/c 1	10.466; 14.595; 10.063 90; 92.79; 90	1535.31	Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582
1515231	CIF	C16 H16 Cl3 N5 Os	P -1	10.4137; 11.0728; 11.4646 87.628; 70.662; 66.25	1135.25	Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582
1515232	CIF	C23.5 H27 Cl F6 N2 Rh Sb	P 1 21/c 1	24.2; 13.427; 16.2572 90; 95.747; 90	5256	Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds Chemical Science, 2012, 3, 1634
1515233	CIF	C35 H36 F6 N2 O2 Rh S Sb	P 1 21/c 1	18.507; 10.873; 17.673 90; 103.416; 90	3459	Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds Chemical Science, 2012, 3, 1634
1515234	CIF	C86 H109 F30 N16 O10 P	P 21 21 21	19.21; 20.782; 25.12 90; 90; 90	10028	Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor Chemical Science, 2012, 3, 1522
1515235	CIF	C43 H54 F15 N8 O4	P -1	13.939; 14.194; 14.511 93.624; 118.198; 96.509	2491.5	Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor Chemical Science, 2012, 3, 1522
1515236	CIF	C21 H19 B	P 1 21/a 1	7.9976; 30.448; 13.5205 90; 96.2528; 90	3272.8	Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461
1515237	CIF	C24 H22 B N	P 4/n :2	22.546; 22.546; 7.1203 90; 90; 90	3619.4	Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461
1515238	CIF	C23 H19 B O	C 1 2/c 1	25.956; 8.077; 16.85 90; 105.859; 90	3398.1	Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461
1515239	CIF	C23 H19 B S	C 1 2/c 1	32.132; 7.89; 14.955 90; 106.728; 90	3631	Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461
1515240	CIF	C11 H23 Cl N6	P -1	4.4289; 9.6455; 17.6718 101.395; 95.279; 92.673	735.28	Xu, Jun; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi Generation of 2D organic microsheets from protonated melamine derivatives: suppression of the self assembly of a particular dimension by introduction of alkyl chains Chemical Science, 2012, 3, 3227
1515241	CIF	C67 H74 B F4 N3 O8	P 1 21/c 1	16.242; 18.9077; 19.5236 90; 94.318; 90	5978.7	Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265
1515242	CIF	C100 H114 N4 O10	P 1 21/c 1	14.1231; 23.13; 26.377 90; 100.575; 90	8470.2	Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265
1515243	CIF	C76.5 H96.5 B2 Cl1.5 F8 N4 O8	C 1 2/c 1	13.833; 29.043; 38.755 90; 97.751; 90	15428	Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265
1515244	CIF	C89.5 H107.5 B2 Cl1.5 F8 N5 O12	P 1 21/c 1	21.517; 39.753; 11.1884 90; 96.934; 90	9500	Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265
1515245	CIF	C89 H111 B2 F8 N9 O18	P -1	14.951; 16.589; 9.3553 100.333; 92.296; 91.691	2279.3	Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265
1515246	CIF	C15 H15 N O3 S	P 21 21 21	5.4774; 10.39; 25.084 90; 90; 90	1427.5	Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins Chemical Science, 2012, 3, 3161
1515247	CIF	C16 H17 N O4 S	P 21 21 21	5.5219; 12.136; 23.04 90; 90; 90	1544	Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins Chemical Science, 2012, 3, 3161
1515248	CIF	C23 H23 Cu F18 N O6	P -1	10.2817; 10.9413; 15.5048 88.673; 82.244; 67.515	1596.1	Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321
1515249	CIF	C26 H30 F18 N Ni O6	P -1	9.9155; 10.9991; 15.6366 83.547; 90.332; 70.468	1595.32	Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321
1515250	CIF	C23 H23 F18 N O6 Zn	P -1	10.3786; 10.8425; 15.1786 86.056; 80.156; 67.947	1559.8	Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321
1515251	CIF	C21 H15 Cu F12 N O6 S	P -1	11.5841; 12.0774; 12.1591 63.859; 71.425; 64.501	1360.82	Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321
1515252	CIF	C23 H20 Cl N O2 S	P 1 21 1	10.3431; 9.0814; 10.9394 90; 102.94; 90	1001.44	Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321
1515253	CIF	C23 H20 Cl N O2 S	P 1 21 1	11.9219; 12.6553; 13.531 90; 106.461; 90	1957.82	Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321
1515254	CIF	C8 H10 Cd N4	I m -3 m	30.5539; 30.5539; 30.5539 90; 90; 90	28523.3	Karagiaridi, Olga; Bury, Wojciech; Sarjeant, Amy A.; Stern, Charlotte L.; Farha, Omar K.; Hupp, Joseph T. Synthesis and characterization of isostructural cadmium zeolitic imidazolate frameworks via solvent-assisted linker exchange Chemical Science, 2012, 3, 3256
1515255	CIF	C8 H12 N O2	P 1 21/c 1	7.3754; 11.0558; 9.6355 90; 105.863; 90	755.77	Sonobe, Toshiaki; Oisaki, Kounosuke; Kanai, Motomu Catalytic aerobic production of imines en route to mild, green, and concise derivatizations of amines Chemical Science, 2012, 3, 3249
1515256	CIF	C156 H60 N12 O50 Zn19	I a -3	43.03; 43.03; 43.03 90; 90; 90	79674	Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin Chemical Science, 2012, 3, 2823
1515257	CIF	C156 H60 Cd11 N12 O51	P m -3 m	22.521; 22.521; 22.521 90; 90; 90	11423	Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin Chemical Science, 2012, 3, 2823
1515258	CIF	C169.5 H273 Mn7 N18 O37.5	R -3 :H	32.152; 32.152; 31.611 90; 90; 120	28300	Hoeke, Veronika; Gieb, Klaus; Müller, Paul; Ungur, Liviu; Chibotaru, Liviu F.; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schröder, Christian; Schnack, Jürgen; Glaser, Thorsten Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet Chemical Science, 2012, 3, 2868
1515259	CIF	C53.53 H67.58 N11 O12.86	P -1	10.9563; 13.8555; 19.2 70.922; 84.699; 78.582	2698.8	Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726
1515260	CIF	C104 H118 N22 O20	I 1 2/a 1	23.1428; 17.9913; 27.126 90; 97.895; 90	11187.4	Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726
1515261	CIF	C53.53 H67.58 N11 O12.86	P -1	10.9563; 13.8555; 19.2 70.922; 84.699; 78.582	2698.8	Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726
1515262	CIF	C53.53 H67.58 N11 O12.86	P -1	10.9563; 13.8555; 19.2 70.922; 84.699; 78.582	2698.8	Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726
1515263	CIF	C110 H110 Cl9 N7 S24	C 1 2/c 1	31.769; 20.0818; 24.852 90; 129.585; 90	12219.2	Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685
1515264	CIF	C110 H127 Cl3 N6 S20	P n m a	28.3045; 24.6469; 17.5652 90; 90; 90	12253.8	Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685
1515265	CIF	C79 H85 Cl8 N5 S16	P n n m	29.858; 14.168; 21.609 90; 90; 90	9141	Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685
1515266	CIF	C18 H36 Cd N2	P 1 21/n 1	11.8651; 11.5596; 15.509 90; 112.201; 90	1969.45	Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Robertson, Stuart D. Opening the black box of mixed-metal TMP metallating reagents: direct cadmation or lithium–cadmium transmetallation? Chemical Science, 2012, 3, 2700
1515267	CIF	C32 H28 N6 Si	P b c n	20.8494; 10; 13.5537 90; 90; 90	2825.9	Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission Chemical Science, 2012, 3, 2737
1515268	CIF	C18 H21 N O6	P 1	11.3125; 12.0218; 13.7304 102.179; 107.108; 93.227	1730.44	Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A. Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis Chemical Science, 2012, 3, 121
1515269	CIF	C29 H40 Au Cl4 F N2	P 1 21/m 1	9.3108; 16.3917; 10.7713 90; 103.594; 90	1597.9	Mankad, Neal P.; Toste, F. Dean C(sp(3))-F reductive elimination from alkylgold(iii) fluoride complexes. Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 72-76
1515270	CIF	C24 H25 Br N2 O	P 21 21 21	7.4734; 46.036; 6.1199 90; 90; 90	2105.5	Zhuo, Chun-Xiang; Liu, Wen-Bo; Wu, Qing-Feng; You, Shu-Li Asymmetric dearomatization of pyrroles via Ir-catalyzed allylic substitution reaction: enantioselective synthesis of spiro-2H-pyrroles Chemical Science, 2012, 3, 205
1515271	CIF	C67.5 H36 B F24 N5 P	C 1 2/c 1	30.1073; 18.082; 22.4608 90; 106.257; 90	11738.8	Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103
1515272	CIF	C74.5 H22.25 Cl3.25 F24 N5 O P	P 1 21/a 1	29.5322; 10.3705; 41.5808 90; 99.1602; 90	12572.3	Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103
1515273	CIF	C76 H30 F24 N5 P S	P 1 21/c 1	19.4591; 8.6913; 37.1609 90; 94.5998; 90	6264.6	Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103
1515274	CIF	C57.75 H11 Cl3 F24 N6 O1.5 P	P -1	10.1849; 14.9773; 17.6759 85.568; 88.271; 76.766	2616.7	Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103
1515275	CIF	C14 H21 N9 O6	P 1	15.8942; 16.2322; 17.6688 89.748; 72.741; 63.537	3853.3	Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249
1515276	CIF	C24 H70 N6 O30 S2	P 1 21 1	6.8516; 26.1435; 12.6653 90; 102.975; 90	2210.7	Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249
1515277	CIF	C24 H70 N6 O30 S2	C 2 2 21	6.7453; 25.6806; 25.6822 90; 90; 90	4448.76	Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249
1515278	CIF	C56 H118 N13 O47 S5	P 1	6.6138; 16.3922; 23.9598 101.113; 92.328; 95.176	2534	Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249
1515283	CIF	B H8 Li N2	C 1 c 1	12.1653; 6.7288; 10.3724 90; 104.751; 90	821.08	He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping Borohydride hydrazinates: high hydrogen content materials for hydrogen storage Energy & Environmental Science, 2012, 5, 5686
1515284	CIF	B H12 Li N4	P c a 21	12.0187; 6.49642; 7.6645 90; 90; 90	598.43	He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping Borohydride hydrazinates: high hydrogen content materials for hydrogen storage Energy & Environmental Science, 2012, 5, 5686
1515285	CIF	C62 H91 B2 F8 N5 Ni O4 P4	C 1 2/c 1	19.9269; 15.0019; 21.745 90; 102.643; 90	6342.9	Seu, Candace S.; Appel, Aaron M.; Doud, Michael D.; DuBois, Daniel L.; Kubiak, Clifford P. Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes Energy & Environmental Science, 2012, 5, 6480
1515286	CIF	C54 H80 B Cl3 Mg2 O6	P 1 21/n 1	16.076; 23.952; 17.49 90; 108.075; 90	6402	Guo, Yong-sheng; Zhang, Fan; Yang, Jun; Wang, Fei-fei; NuLi, Yanna; Hirano, Shin-ichi Boron-based electrolyte solutions with wide electrochemical windows for rechargeable magnesium batteries Energy & Environmental Science, 2012, 5, 9100
1515287	CIF	C36 H58 Al Cl5 Mg2 O6	P -1	12.9569; 13.0714; 13.4709 77.757; 85.936; 72.074	2121.33	Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari Electrolyte roadblocks to a magnesium rechargeable battery Energy & Environmental Science, 2012, 5, 5941
1515288	CIF	C48 H68 B Cl3 Mg2 O6	P 1 21/c 1	16.4151; 16.5787; 18.5617 90; 109.364; 90	4765.6	Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari Electrolyte roadblocks to a magnesium rechargeable battery Energy & Environmental Science, 2012, 5, 5941

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