*a,b a wang-shui cai,a · m1b-o3-m1c 101.90(11) 100.88(11) symmetry codes: a: -1+x, y, z; b: 1+x,...

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Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-

ethylidenediphosphonate: Syntheses, structures, and magnetic properties

Yun-Sheng Ma,*a,b

Wen-Yu Yin,a Wang-Shui Cai,

a Ping-Zhou Zhu,

a Xiao-Yan Tang,

a Rong-Xin

Yuan,*a Soumyajit Roy

c

Table S1 Selected bond lengths and angles for 1 and 2

1(Mn) 2(Co)

M1-O1 2.093(3) 1.996(3)

M1-O4 2.165(3) 2.132(3)

M1-O3A 2.289(3) 2.227(3)

M1-O5A 2.116(3) 2.008(3)

M1-O3C 2.147(3) 2.058(3)

P1-O1 1.503(3) 1.506(3)

P1-O2 1.557(3) 1.550(3)

P1-O3 1.530(3) 1.527(3)

P2-O4 1.532(3) 1.527(3)

P2-O5 1.530(3) 1.530(3)

P2-O6 1.519(3) 1.511(3)

O1-M1-O4 86.36(11) 87.74(11)

O1-M1-O3A 93.87(11) 93.16(11)

O1-M1-O5A 155.03(12) 155.00(12)

O1-M1-O3C 104.73(11) 103.16(11)

Electronic Supplementary Material (ESI) for RSC AdvancesThis journal is © The Royal Society of Chemistry 2013

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O3A-M1-O4 179.47(11) 178.53(10)

O4-M1-O5A 91.15(11) 89.80(11)

O3C-M1-O4 101.38(11) 99.54(11)

O3A-M1-O5A 88.84(11) 89.88

O3A-M1-O3C 78.10(10) 79.12(11)

O3C-M1-O5A 100.13(11) 101.78(12)

M1B-O3-M1C 101.90(11) 100.88(11)

Symmetry codes: A: -1+x, y, z; B: 1+x, y, z; C: 1-x, 1-y, 2-z.

Table S2 Selected bond lengths and angles for 3

Co1-O1 2.124(5) P1-O1 1.517(5)

Co1-O4 2.054(5) P1-O2 1.494(5)

Co1-O8 2.122(5) P1-O3 1.563(6)

Co1-O10 2.163(5) P2-O4 1.517(5)

Co1-O2A 2.005(5) P2-O5 1.565(5)

Co1-O9B 2.215(5) P2-O6 1.502(6)

O1-Co1-O4 93.0(2) O4-Co1-O9B 162.87(18)

O1-Co1-O8 88.56(18) O8-Co1-O10 91.30(19)

O1-Co1-O10 178.7(2) O2A-Co1-O8 173.6(2)

O1-Co1-O2A 92.47(19) O8-Co1-O9B 78.00(19)

O1-Co1-O9B 93.5(2) O2A-Co1-O10 87.81(19)

O4-Co1-O8 86.3(2) O9B-Co1-O10 87.7(2)

O4-Co1-O10 85.7(2) O2A-Co1-O9B 95.6(2)

O2A-Co1-O4 99.9(2)

Symmetry Codes: A: -x, -y, -z; B: 1-x, 1-y, -z.


Co1-O2 2.131(4) P1-O1 1.558(5)


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Co1-O4 2.029(4) P1-O2 1.509(4)

Co1-O8 2.154(5) P1-O3 1.525(4)

Co2-O3 2.024(5) P2-O4 1.518(4)

Co2-O5 2.032(5) P2-O5 1.526(4)

Co2-O9 2.017(5) P2-O6 1.519(5)

Co2-O10A 2.181(4) Co2-O6B 1.937(4)

O2-Co1-O4 93.43(17) O4-Co1-O8 91.92(19)

O2-Co1-O8 86.88(18) O5-Co2-O10A 172.64(17)

O3-Co2-O5 97.05(18) O5-Co2-O6B 100.13(18)

O3-Co2-O9 99.93(18) O9-Co2-O10A 79.61(17)

O3-Co2-O10A 84.32(18) O6B-Co2-O9 140.03(19)

O3-Co2-O6B 115.44(18) O6B-Co2-O10A 85.72(17)

O5-Co2-O9 93.04(17)

Symmetry codes: A: 1-x, -y, 1-z; B:-x, 1-y, 1-z.


Cu1-O1 1.938(3) Cu1-O4 1.920(3)

P1-O1 1.517(3) P2-O4 1.519(3)

P1-O2 1.499(3) P2-O5 1.567(3)

P1-O3 1.559(3) P2-O6 1.482(3)

O1-Cu1-O4 93.53(11)


Cu1-O1 1.966(5) P1-O1 1.525(5)

Cu1-O4 2.013(5) P1-O2 1.525(5)

Cu1-O4A 2.261(5) P1-O3 1.522(5)

Cu1-O2B 1.967(5) P2-O4 1.544(5)

Cu1-O5B 1.941(5) P2-O5 1.522(6)


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P2-O6 1.522(5)

O1-Cu1-O4 87.8(2) O4-Cu1-O5B 169.1(2)

O1-Cu1-O4A 91.4(2) O2B-Cu1-O4A 99.4(2)

O1-Cu1-O2B 168.9(2) O4A-Cu1-O5B 101.5(2)

O1-Cu1-O5B 89.2(2) O2B-Cu1-O5B 91.4(2)

O4-Cu1-O4A 89.1(2) Cu1-O4-Cu1A 90.9(2)

O2B-Cu1-O4 89.6(2)

Symmetry codes: A: 1-x, 1-y, -z; B: -x, 1-y, -z.


Cu1-O2 1.979(5) P1-O1 1.501(5)

Cu1-O4 1.913(4) P1-O2 1.529(5)

Cu1-O5A 2.144(5) P1-O3 1.539(5)

Cu1-N1B 1.985(6) P2-O4 1.515(5)

Cu1-O3E 2.204(4) P2-O5 1.542(5)

Cu2-O3 1.926(5) P2-O6 1.528(5)

Cu2-O5 1.956(4) Cu3-O1 1.858(5)

O2-Cu1-O4 95.1(2) O3E-Cu1-O4 145.68(19)

O2-Cu1-O5A 82.07(19) O5A-Cu1-N1B 94.8(2)

O2-Cu1-N1B 169.6(2) O3E-Cu1-O5A 74.83(18)

O2-Cu1-O3E 81.9(2) O3E-Cu1-N1B 87.7(2)

O4-Cu1-O5A 138.90(19) O3-Cu2-O5 94.20(19)

O4-Cu1-N1B 93.8(2) Cu1E-O3-Cu2 89.81(19)

Cu1D-O5-Cu2 90.80(18)

Symmetry codes: A: -1+x, y, z; B: x, -1+y, z; C: x, 1+y, z; D: 1+x, y, z; E: 1-x, 1-y, 1-z.


Cu1-O3 1.997(3) P1-O1 1.515(3)


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Cu1-O6 1.908(3) P1-O2 1.565(4)

Cu2-O5 1.911(3) P1-O3 1.518(3)

Cu2-O8 1.999(3) P2-O4 1.527(4)

Cu2-O1A 2.216(4) P2-O5 1.511(3)

Cu2-O4A 1.940(3) P2-O6 1.517(3)

Cu2-O9C 1.986(3)

O3-Cu1-O6 94.80(14) O8-Cu2-O9C 84.24(13)

O5-Cu2-O8 160.82(15) O1A-Cu2-O4A 94.34(14)

O1A-Cu2-O5 108.40(14) O1A-Cu2-O9C 85.31(14)

O4A-Cu2-O5 95.03(13) O4A-Cu2-O9C 177.27(14)

O5-Cu2-O9C 87.64(13) O4A-Cu2-O8 93.04(14)

O1A-Cu2-O8 88.26(14)

Symmetry codes: A: -x, -y, 1-z; B: -x, -y, 2-z; C: 1-x, 1-y, 1-z.

Figure S1 Fragment of chain in compound 2 with the atomic labeling scheme.


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Figure S2 Packing diagram of 2 viewed along the a-axis.

Figure S3 2D hydrogen-bonded layer by linking 1-D chains with H-bond interactions in the ab

plane.


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Figure S4 3D supramolecular network via two types of hydrogen bonds.

Figure S5 2D structure of 4 viewed in the bc plane.

Figure S6 Hydrogen bonds connected 3D structure of 4 viewed along the c-axis.


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Figure S7 Hydrogen bonds connected 3D structure of 5 viewed along the a-axis.

Figure S8 3D structure of 6 viewed along the a-axis.


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Figure S9 3D structure of 7 viewed along the a-axis.

Figure S10 2D structure of 8 viewed in the ac plane.

Figure S11 Hydrogen bonds connected 3D structure of 8 viewed along the c-axis.


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Figure S12 1/χM-T plot for compound 1.

Figure S13 χM vs T plot for compound 2.



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*a,b a wang-shui cai,a · m1b-o3-m1c 101.90(11) 100.88(11) symmetry codes: a: -1+x, y, z; b: 1+x,...

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