Literature DB >> 24860313

Poly[[nona-aqua-bis-(μ-5-hy-droxy-benzene-1,3-di-carboxyl-ato)(5-hy-droxy-benzene-1,3-di-carboxyl-ato)dicerium(III)] hexa-hydrate].

Xiao Fan¹, Carole Daiguebonne¹, Olivier Guillou¹, Magatte Camara².

Abstract

In the title coordination polymer, {[Ce2(C8H4O5)3(H2O)9]·6H2O} n , the asymmetric unit is formed by two Ce(III) atoms, three 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands, nine coordinating water mol-ecules and six water mol-ecules of crystallization. The two Ce(III) atoms are bridged by 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands acting in a bis-bidentate coordination mode, generating infinite chains along [101]. Both independent metal atoms are nine-coordinated, one by four O atoms from the carboxyl-ate groups of two bridging 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands and five O atoms from water mol-ecules, generating a tricapped trigonal-prismatic geometry. The coordination around the second Ce(III) atom is similar, except that one of the water mol-ecules is replaced by an O atom from an additional 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligand acting in a monodentate coordination mode and forming a capped square-anti-prismatic geometry.

Entities: CellLine Chemical Disease Gene Species

Year: 2014 PMID： 24860313 PMCID： PMC4011209 DOI： 10.1107/S1600536814007727

Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN： 1600-5368

Related literature

For background to this field of research, see: Daiguebonne et al. (1998 ▶); Qiu et al. (2007 ▶); Eddaoudi et al. (2002 ▶); Kerbellec et al. (2008 ▶); Jeon & Clérac (2012 ▶); Calvez et al. (2008 ▶); Binnemans (2009 ▶); Daiguebonne et al. (2008 ▶); Freslon et al. (2014 ▶). For previously reported crystal structures that involve 5-hydroxybenzene-1,3-dicarboxylate, see: Ermer & Neudörfl (2001 ▶); Lin et al. (2010 ▶); Xu & Li (2004 ▶); Chen et al. (2012 ▶); Huang et al. (2008 ▶). For details concerning the synthesis, see: Henisch & Rustum (1970 ▶); Henisch (1988 ▶); Daiguebonne et al. (2003 ▶).

Experimental

Crystal data

[Ce2(C8H4O5)3(H2O)9]·6H2O M = 1090.82 Monoclinic, a = 10.7150 (3) Å b = 11.1039 (2) Å c = 16.3611 (4) Å β = 100.975 (2)° V = 1911.01 (8) Å3 Z = 2 Mo Kα radiation μ = 2.46 mm−1 T = 293 K 0.14 × 0.05 × 0.04 mm

Data collection

Kappa CCD diffractometer Absorption correction: multi-scan (Blessing, 1995 ▶) T min = 0.763, T max = 0.866 26639 measured reflections 8644 independent reflections 7711 reflections with I > 2σ(I) R int = 0.040

Refinement

R[F 2 > 2σ(F 2)] = 0.035 wR(F 2) = 0.088 S = 1.06 8644 reflections 506 parameters 1 restraint H-atom parameters constrained Δρmax = 1.46 e Å−3 Δρmin = −1.28 e Å−3 Absolute structure: Flack (1983 ▶), 4150 Friedel pairs Absolute structure parameter: 0.166 (19) Data collection: COLLECT (Nonius, 1998 ▶); cell refinement: COLLECT; data reduction: EVALCCD (Duisenberg et al., 2003 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶). Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536814007727/lr2124sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814007727/lr2124Isup2.hkl CCDC reference: 995942 Additional supporting information: crystallographic information; 3D view; checkCIF report

[Ce₂(C₈H₄O₅)₃(H₂O)₉]·6H₂O	F(000) = 1084
M_r = 1090.82	D_x = 1.896 Mg m⁻³
Monoclinic, P2₁	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2yb	Cell parameters from 22389 reflections
a = 10.7150 (3) Å	θ = 2.9–27.5°
b = 11.1039 (2) Å	µ = 2.46 mm⁻¹
c = 16.3611 (4) Å	T = 293 K
β = 100.975 (2)°	Needle, colourless
V = 1911.01 (8) Å³	0.14 × 0.05 × 0.04 mm
Z = 2

Kappa CCD diffractometer	8644 independent reflections
Radiation source: Mo	7711 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.040
φ– and ω– scans	θ_max = 27.5°, θ_min = 3.1°
Absorption correction: multi-scan (Blessing,1995)	h = −13→13
T_min = 0.763, T_max = 0.866	k = −14→14
26639 measured reflections	l = −21→21

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.035	H-atom parameters constrained
wR(F²) = 0.088	w = 1/[σ²(F_o²) + (0.0416P)² + 2.8811P] where P = (F_o² + 2F_c²)/3
S = 1.06	(Δ/σ)_max = 0.001
8644 reflections	Δρ_max = 1.46 e Å⁻³
506 parameters	Δρ_min = −1.28 e Å⁻³
1 restraint	Absolute structure: Flack (1983), 4150 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.166 (19)

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	U_iso*/U_eq
Ce01	0.41401 (3)	0.24388 (2)	0.933831 (18)	0.02183 (10)
Ce02	−0.09386 (3)	−0.17680 (2)	0.436383 (18)	0.01951 (9)
O1	−0.2917 (4)	−0.1863 (6)	0.4899 (3)	0.0289 (10)
O2	−0.1739 (6)	−0.3897 (5)	0.4199 (4)	0.0294 (13)
O3	−0.0651 (4)	−0.2416 (6)	0.2877 (3)	0.0297 (11)
O4	0.1035 (5)	−0.3002 (4)	0.4468 (3)	0.0284 (11)
O5	−0.1871 (5)	0.0358 (5)	0.4380 (3)	0.0273 (12)
O6	0.0564 (5)	−0.0265 (5)	0.3904 (4)	0.0352 (13)
O7	0.0223 (5)	−0.0881 (5)	0.5719 (3)	0.0288 (12)
O8	−0.0331 (4)	−0.2759 (5)	0.5849 (3)	0.0240 (11)
O9	−0.3621 (7)	−0.3564 (5)	0.5332 (3)	0.076 (2)
O10	−0.1659 (5)	0.1474 (5)	0.7003 (3)	0.0383 (11)
O11	−0.2278 (5)	0.1263 (5)	0.8207 (3)	0.0458 (12)
O12	−0.2563 (6)	−0.3228 (6)	0.8491 (3)	0.0482 (15)
HO12	−0.2724	−0.3917	0.8324	0.072*
O13	0.3158 (5)	0.0346 (5)	0.9375 (3)	0.0313 (13)
O14	0.2395 (5)	0.1407 (5)	0.8273 (3)	0.0317 (12)
O15	0.2116 (5)	0.2613 (7)	0.9923 (3)	0.0389 (14)
O16	0.5582 (5)	0.0896 (5)	0.8858 (3)	0.0355 (13)
O17	0.4364 (5)	0.3130 (7)	0.7868 (3)	0.0346 (12)
O18	0.6140 (5)	0.3617 (5)	0.9463 (3)	0.0369 (13)
O19	0.3268 (6)	0.4551 (6)	0.9146 (4)	0.0363 (15)
O20	0.5302 (5)	0.1566 (5)	1.0706 (3)	0.0321 (12)
O21	0.4675 (5)	0.3431 (5)	1.0802 (3)	0.0275 (12)
O22	0.7420 (5)	−0.0683 (5)	1.3243 (3)	0.0334 (13)
O23	0.5883 (5)	0.4408 (5)	1.3876 (3)	0.0323 (11)
HO23	0.5524	0.4941	1.3573	0.048*
O24	0.0790 (6)	−0.3571 (6)	0.8987 (3)	0.0546 (18)
HO24	0.0427	−0.4137	0.8720	0.082*
C1	−0.2907 (5)	−0.2074 (5)	0.6356 (3)	0.0264 (11)
C2	−0.2621 (6)	−0.0885 (7)	0.6513 (4)	0.0267 (13)
H2	−0.2582	−0.0364	0.6073	0.032*
C3	−0.2387 (5)	−0.0449 (5)	0.7330 (4)	0.0287 (12)
C4	−0.2354 (7)	−0.1267 (7)	0.7985 (5)	0.0329 (16)
H4	−0.2159	−0.0998	0.8533	0.039*
C5	−0.2607 (6)	−0.2469 (6)	0.7822 (4)	0.0321 (12)
C6	−0.2887 (7)	−0.2889 (7)	0.7012 (4)	0.0299 (16)
H6	−0.3060	−0.3700	0.6905	0.036*
C7	−0.3179 (6)	−0.2537 (6)	0.5475 (4)	0.0343 (13)
C8	−0.2092 (5)	0.0862 (5)	0.7522 (4)	0.0296 (12)
C9	0.0619 (5)	−0.1745 (9)	0.7086 (4)	0.0236 (12)
C10	0.1232 (6)	−0.0678 (7)	0.7441 (4)	0.0221 (15)
H10	0.1332	−0.0023	0.7105	0.026*
C11	0.1682 (7)	−0.0623 (7)	0.8300 (4)	0.0252 (15)
C12	0.1521 (6)	−0.1620 (8)	0.8803 (4)	0.0292 (16)
H12	0.1823	−0.1588	0.9375	0.035*
C13	0.0919 (7)	−0.2634 (9)	0.8451 (4)	0.0306 (15)
C14	0.0474 (6)	−0.2704 (8)	0.7594 (4)	0.0270 (15)
H14	0.0076	−0.3403	0.7364	0.032*
C15	0.0151 (5)	−0.1807 (8)	0.6173 (3)	0.0198 (11)
C16	0.2435 (6)	0.0420 (7)	0.8667 (4)	0.0236 (14)
C17	0.5721 (5)	0.2448 (8)	1.2077 (4)	0.0210 (12)
C18	0.5608 (6)	0.3459 (6)	1.2559 (4)	0.0247 (15)
H18	0.5258	0.4165	1.2310	0.030*
C19	0.6018 (6)	0.3407 (7)	1.3407 (4)	0.0248 (14)
C20	0.6592 (6)	0.2376 (8)	1.3782 (4)	0.0251 (13)
H20	0.6879	0.2348	1.4355	0.030*
C21	0.6734 (6)	0.1383 (6)	1.3289 (4)	0.0218 (14)
C22	0.6282 (7)	0.1436 (7)	1.2435 (5)	0.0279 (17)
H22	0.6365	0.0769	1.2106	0.033*
C23	0.7462 (6)	0.0291 (6)	1.3655 (4)	0.0228 (14)
C24	0.5212 (5)	0.2489 (8)	1.1145 (4)	0.0226 (12)
O031	0.5264 (5)	0.4338 (5)	0.5427 (3)	0.0466 (12)
O039	0.4961 (6)	0.1825 (6)	0.6563 (4)	0.0587 (16)
O040	0.9555 (7)	0.2265 (8)	0.9363 (4)	0.085 (2)
O041	0.7364 (5)	0.3758 (5)	0.6657 (3)	0.0506 (13)
O043	0.0116 (9)	0.4262 (7)	0.8386 (5)	0.087 (3)
O062	0.6940 (12)	0.4496 (7)	0.8113 (5)	0.129 (5)

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ce01	0.0301 (2)	0.0174 (2)	0.01549 (19)	−0.00197 (15)	−0.00223 (15)	0.00039 (15)
Ce02	0.02548 (18)	0.01640 (19)	0.01496 (18)	0.00154 (14)	−0.00042 (14)	−0.00006 (14)
O1	0.034 (2)	0.033 (3)	0.021 (2)	0.003 (2)	0.0084 (19)	0.005 (3)
O2	0.038 (3)	0.018 (3)	0.031 (3)	0.001 (2)	0.004 (2)	−0.001 (2)
O3	0.034 (2)	0.034 (3)	0.018 (2)	0.001 (3)	−0.0010 (19)	−0.004 (3)
O4	0.033 (2)	0.032 (3)	0.020 (2)	0.0107 (18)	0.004 (2)	0.0049 (19)
O5	0.032 (3)	0.024 (3)	0.021 (3)	0.003 (2)	−0.006 (2)	0.001 (2)
O6	0.042 (3)	0.026 (3)	0.042 (3)	−0.001 (2)	0.016 (3)	−0.001 (2)
O7	0.041 (3)	0.024 (3)	0.018 (2)	−0.005 (2)	−0.001 (2)	0.004 (2)
O8	0.033 (2)	0.018 (3)	0.019 (2)	−0.003 (2)	−0.0007 (19)	−0.002 (2)
O9	0.139 (6)	0.057 (4)	0.039 (3)	−0.063 (4)	0.034 (3)	−0.019 (3)
O10	0.044 (3)	0.038 (3)	0.034 (2)	−0.013 (2)	0.012 (2)	−0.002 (2)
O11	0.059 (3)	0.050 (3)	0.033 (2)	−0.021 (2)	0.021 (2)	−0.015 (2)
O12	0.078 (4)	0.038 (3)	0.030 (3)	−0.001 (3)	0.013 (3)	0.012 (2)
O13	0.043 (3)	0.025 (3)	0.020 (3)	−0.006 (2)	−0.011 (2)	0.007 (2)
O14	0.042 (3)	0.026 (3)	0.022 (3)	−0.005 (2)	−0.008 (2)	0.006 (2)
O15	0.043 (3)	0.045 (4)	0.029 (3)	−0.003 (3)	0.008 (2)	−0.002 (3)
O16	0.048 (3)	0.026 (3)	0.036 (3)	0.002 (2)	0.016 (3)	−0.002 (2)
O17	0.046 (3)	0.036 (3)	0.020 (2)	−0.003 (3)	0.000 (2)	0.001 (3)
O18	0.039 (3)	0.039 (3)	0.033 (3)	−0.012 (2)	0.006 (2)	−0.010 (2)
O19	0.036 (3)	0.028 (3)	0.044 (4)	0.009 (2)	0.006 (3)	0.010 (3)
O20	0.052 (3)	0.019 (3)	0.021 (3)	0.010 (2)	−0.003 (2)	−0.003 (2)
O21	0.036 (3)	0.023 (3)	0.021 (2)	0.005 (2)	−0.002 (2)	0.002 (2)
O22	0.046 (3)	0.026 (3)	0.023 (3)	0.009 (2)	−0.008 (2)	−0.007 (2)
O23	0.047 (3)	0.025 (2)	0.023 (2)	0.010 (2)	0.003 (2)	−0.0036 (19)
O24	0.085 (4)	0.044 (4)	0.029 (3)	−0.033 (3)	−0.005 (3)	0.015 (3)
C1	0.028 (3)	0.028 (3)	0.024 (3)	−0.001 (2)	0.009 (2)	0.000 (2)
C2	0.028 (3)	0.033 (4)	0.018 (3)	−0.007 (3)	0.003 (2)	−0.007 (2)
C3	0.030 (3)	0.029 (3)	0.028 (3)	−0.002 (2)	0.008 (2)	0.000 (2)
C4	0.037 (4)	0.035 (4)	0.027 (3)	−0.005 (3)	0.008 (3)	−0.002 (3)
C5	0.038 (3)	0.035 (3)	0.024 (3)	0.000 (3)	0.009 (2)	0.006 (2)
C6	0.038 (4)	0.028 (4)	0.025 (3)	−0.004 (3)	0.010 (3)	0.000 (3)
C7	0.043 (3)	0.030 (3)	0.031 (3)	−0.002 (3)	0.010 (3)	−0.005 (3)
C8	0.030 (3)	0.030 (3)	0.031 (3)	−0.006 (2)	0.011 (2)	−0.007 (2)
C9	0.025 (3)	0.025 (3)	0.019 (3)	−0.003 (3)	0.001 (2)	−0.004 (4)
C10	0.026 (3)	0.023 (4)	0.014 (3)	−0.007 (3)	−0.005 (3)	−0.002 (3)
C11	0.028 (3)	0.025 (4)	0.022 (3)	−0.005 (3)	0.001 (3)	0.001 (3)
C12	0.036 (3)	0.034 (4)	0.015 (3)	−0.012 (3)	−0.002 (3)	−0.008 (3)
C13	0.040 (4)	0.034 (4)	0.016 (3)	−0.012 (4)	0.000 (3)	0.006 (3)
C14	0.026 (3)	0.033 (4)	0.019 (3)	−0.005 (3)	−0.005 (2)	−0.002 (3)
C15	0.017 (2)	0.025 (3)	0.016 (3)	0.000 (3)	−0.001 (2)	0.000 (3)
C16	0.028 (3)	0.024 (4)	0.017 (3)	−0.003 (3)	−0.001 (3)	0.000 (3)
C17	0.023 (3)	0.025 (3)	0.014 (3)	0.000 (3)	0.001 (2)	0.001 (3)
C18	0.030 (3)	0.016 (4)	0.028 (3)	0.003 (2)	0.005 (3)	0.003 (3)
C19	0.032 (3)	0.016 (3)	0.026 (3)	−0.001 (3)	0.004 (3)	0.000 (3)
C20	0.031 (3)	0.028 (3)	0.015 (3)	−0.001 (3)	0.003 (2)	−0.011 (3)
C21	0.024 (3)	0.021 (4)	0.020 (3)	−0.001 (2)	0.003 (3)	0.005 (3)
C22	0.037 (4)	0.021 (4)	0.026 (4)	0.002 (3)	0.008 (3)	−0.005 (3)
C23	0.028 (3)	0.019 (4)	0.020 (3)	0.002 (3)	0.002 (3)	0.003 (3)
C24	0.030 (3)	0.021 (3)	0.015 (3)	0.000 (3)	0.001 (2)	0.002 (3)
O031	0.053 (3)	0.040 (3)	0.048 (3)	−0.014 (2)	0.011 (2)	−0.002 (2)
O039	0.073 (4)	0.048 (4)	0.050 (3)	−0.007 (3)	−0.001 (3)	−0.003 (3)
O040	0.071 (4)	0.132 (7)	0.054 (4)	−0.040 (5)	0.018 (3)	−0.030 (4)
O041	0.056 (3)	0.044 (3)	0.054 (3)	−0.004 (2)	0.018 (3)	−0.006 (3)
O043	0.145 (7)	0.058 (5)	0.062 (4)	−0.016 (4)	0.028 (5)	−0.019 (4)
O062	0.292 (14)	0.054 (5)	0.071 (5)	−0.026 (6)	0.112 (7)	−0.005 (4)

Ce01—O18	2.486 (5)	O23—HO23	0.8200
Ce01—O19	2.522 (6)	O24—C13	1.385 (9)
Ce01—O16	2.530 (5)	O24—HO24	0.8200
Ce01—O20	2.537 (5)	C1—C2	1.368 (9)
Ce01—O15	2.539 (5)	C1—C6	1.401 (9)
Ce01—O13	2.556 (6)	C1—C7	1.506 (8)
Ce01—O14	2.570 (5)	C2—C3	1.400 (8)
Ce01—O17	2.579 (5)	C2—H2	0.9300
Ce01—O21	2.598 (5)	C3—C4	1.400 (9)
Ce01—C24	2.961 (6)	C3—C8	1.510 (8)
Ce01—C16	2.967 (7)	C4—C5	1.378 (10)
Ce02—O1	2.445 (4)	C4—H4	0.9300
Ce02—O4	2.498 (5)	C5—C6	1.382 (10)
Ce02—O2	2.512 (6)	C6—H6	0.9300
Ce02—O7	2.527 (5)	C9—C14	1.378 (11)
Ce02—O6	2.531 (5)	C9—C10	1.425 (11)
Ce02—O5	2.566 (6)	C9—C15	1.484 (8)
Ce02—O22ⁱ	2.584 (5)	C10—C11	1.397 (9)
Ce02—O3	2.610 (5)	C10—H10	0.9300
Ce02—O8	2.633 (5)	C11—C12	1.410 (11)
Ce02—C23ⁱ	2.958 (7)	C11—C16	1.473 (10)
Ce02—C15	2.968 (6)	C12—C13	1.369 (11)
O1—C7	1.276 (8)	C12—H12	0.9300
O5—C23ⁱ	1.265 (8)	C13—C14	1.394 (8)
O7—C15	1.279 (9)	C14—H14	0.9300
O8—C15	1.250 (10)	C17—C22	1.353 (11)
O9—C7	1.240 (8)	C17—C18	1.391 (10)
O10—C8	1.243 (7)	C17—C24	1.519 (8)
O11—C8	1.257 (7)	C18—C19	1.374 (9)
O12—C5	1.375 (8)	C18—H18	0.9300
O12—HO12	0.8200	C19—C20	1.386 (11)
O13—C16	1.268 (8)	C20—C21	1.391 (10)
O14—C16	1.267 (9)	C20—H20	0.9300
O20—C24	1.265 (10)	C21—C22	1.391 (10)
O21—C24	1.272 (9)	C21—C23	1.503 (9)
O22—C23	1.271 (8)	C22—H22	0.9300
O22—Ce02ⁱⁱ	2.584 (5)	C23—O5ⁱⁱ	1.265 (8)
O23—C19	1.375 (9)	C23—Ce02ⁱⁱ	2.958 (7)

O18—Ce01—O19	79.28 (19)	O7—Ce02—C15	25.3 (2)
O18—Ce01—O16	79.28 (18)	O6—Ce02—C15	98.89 (19)
O19—Ce01—O16	145.56 (18)	O5—Ce02—C15	94.8 (2)
O18—Ce01—O20	81.84 (18)	O22ⁱ—Ce02—C15	143.09 (18)
O19—Ce01—O20	125.0 (2)	O3—Ce02—C15	146.23 (16)
O16—Ce01—O20	77.81 (17)	O8—Ce02—C15	24.9 (2)
O18—Ce01—O15	135.56 (19)	C23ⁱ—Ce02—C15	119.4 (2)
O19—Ce01—O15	69.7 (2)	C7—O1—Ce02	128.1 (4)
O16—Ce01—O15	141.7 (2)	C23ⁱ—O5—Ce02	95.0 (4)
O20—Ce01—O15	90.47 (18)	C15—O7—Ce02	97.0 (4)
O18—Ce01—O13	145.98 (19)	C15—O8—Ce02	92.7 (4)
O19—Ce01—O13	134.74 (16)	C5—O12—HO12	109.5
O16—Ce01—O13	70.74 (18)	C16—O13—Ce01	95.9 (4)
O20—Ce01—O13	76.54 (18)	C16—O14—Ce01	95.2 (4)
O15—Ce01—O13	71.1 (2)	C24—O20—Ce01	96.5 (4)
O18—Ce01—O14	142.62 (17)	C24—O21—Ce01	93.4 (4)
O19—Ce01—O14	97.2 (2)	C23—O22—Ce02ⁱⁱ	94.0 (4)
O16—Ce01—O14	84.03 (18)	C19—O23—HO23	109.5
O20—Ce01—O14	126.83 (18)	C13—O24—HO24	109.5
O15—Ce01—O14	74.10 (18)	C2—C1—C6	120.6 (6)
O13—Ce01—O14	50.29 (16)	C2—C1—C7	120.3 (5)
O18—Ce01—O17	71.82 (18)	C6—C1—C7	119.0 (5)
O19—Ce01—O17	72.9 (2)	C1—C2—C3	120.4 (6)
O16—Ce01—O17	75.00 (19)	C1—C2—H2	119.8
O20—Ce01—O17	144.98 (17)	C3—C2—H2	119.8
O15—Ce01—O17	124.49 (18)	C2—C3—C4	118.7 (6)
O13—Ce01—O17	113.84 (19)	C2—C3—C8	121.6 (6)
O14—Ce01—O17	71.64 (16)	C4—C3—C8	119.6 (6)
O18—Ce01—O21	70.48 (16)	C5—C4—C3	120.4 (7)
O19—Ce01—O21	74.45 (19)	C5—C4—H4	119.8
O16—Ce01—O21	122.17 (18)	C3—C4—H4	119.8
O20—Ce01—O21	50.52 (16)	O12—C5—C4	117.7 (6)
O15—Ce01—O21	71.05 (16)	O12—C5—C6	121.6 (6)
O13—Ce01—O21	112.54 (17)	C4—C5—C6	120.7 (7)
O14—Ce01—O21	144.92 (16)	C5—C6—C1	119.0 (6)
O17—Ce01—O21	133.6 (2)	C5—C6—H6	120.5
O18—Ce01—C24	75.15 (18)	C1—C6—H6	120.5
O19—Ce01—C24	99.8 (2)	O9—C7—O1	122.0 (6)
O16—Ce01—C24	100.3 (2)	O9—C7—C1	119.5 (6)
O20—Ce01—C24	25.1 (2)	O1—C7—C1	118.5 (6)
O15—Ce01—C24	79.62 (16)	O10—C8—O11	123.9 (6)
O13—Ce01—C24	94.4 (2)	O10—C8—C3	118.4 (5)
O14—Ce01—C24	141.20 (18)	O11—C8—C3	117.6 (5)
O17—Ce01—C24	146.94 (18)	C14—C9—C10	119.5 (6)
O21—Ce01—C24	25.4 (2)	C14—C9—C15	121.1 (7)
O18—Ce01—C16	152.66 (17)	C10—C9—C15	119.4 (7)
O19—Ce01—C16	118.0 (2)	C11—C10—C9	119.4 (7)
O16—Ce01—C16	75.10 (19)	C11—C10—H10	120.3
O20—Ce01—C16	101.68 (19)	C9—C10—H10	120.3
O15—Ce01—C16	71.77 (19)	C10—C11—C12	119.7 (7)
O13—Ce01—C16	25.16 (18)	C10—C11—C16	120.1 (6)
O14—Ce01—C16	25.18 (17)	C12—C11—C16	119.9 (6)
O17—Ce01—C16	92.26 (19)	C13—C12—C11	120.0 (6)
O21—Ce01—C16	132.36 (17)	C13—C12—H12	120.0
C24—Ce01—C16	118.6 (2)	C11—C12—H12	120.0
O1—Ce02—O4	137.07 (18)	C12—C13—O24	116.6 (6)
O1—Ce02—O2	72.3 (2)	C12—C13—C14	120.9 (7)
O4—Ce02—O2	76.04 (18)	O24—C13—C14	122.6 (7)
O1—Ce02—O7	91.05 (17)	C9—C14—C13	120.5 (7)
O4—Ce02—O7	83.36 (17)	C9—C14—H14	119.8
O2—Ce02—O7	124.20 (19)	C13—C14—H14	119.8
O1—Ce02—O6	141.2 (2)	O8—C15—O7	120.0 (5)
O4—Ce02—O6	78.68 (17)	O8—C15—C9	119.9 (7)
O2—Ce02—O6	144.32 (17)	O7—C15—C9	120.1 (7)
O7—Ce02—O6	76.65 (17)	O8—C15—Ce02	62.4 (3)
O1—Ce02—O5	70.7 (2)	O7—C15—Ce02	57.7 (3)
O4—Ce02—O5	146.11 (17)	C9—C15—Ce02	175.2 (6)
O2—Ce02—O5	137.85 (14)	O14—C16—O13	118.4 (6)
O7—Ce02—O5	76.11 (18)	O14—C16—C11	120.6 (6)
O6—Ce02—O5	70.57 (17)	O13—C16—C11	120.9 (6)
O1—Ce02—O22ⁱ	75.81 (17)	O14—C16—Ce01	59.6 (4)
O4—Ce02—O22ⁱ	139.21 (15)	O13—C16—Ce01	59.0 (4)
O2—Ce02—O22ⁱ	100.97 (19)	C11—C16—Ce01	174.9 (5)
O7—Ce02—O22ⁱ	126.57 (17)	C22—C17—C18	120.3 (6)
O6—Ce02—O22ⁱ	82.36 (19)	C22—C17—C24	120.3 (7)
O5—Ce02—O22ⁱ	50.55 (16)	C18—C17—C24	119.5 (7)
O1—Ce02—O3	125.89 (16)	C19—C18—C17	119.5 (6)
O4—Ce02—O3	70.36 (16)	C19—C18—H18	120.2
O2—Ce02—O3	74.88 (19)	C17—C18—H18	120.2
O7—Ce02—O3	143.05 (16)	C18—C19—O23	118.8 (6)
O6—Ce02—O3	73.14 (18)	C18—C19—C20	120.7 (6)
O5—Ce02—O3	112.25 (18)	O23—C19—C20	120.4 (6)
O22ⁱ—Ce02—O3	69.68 (16)	C19—C20—C21	119.1 (6)
O1—Ce02—O8	74.37 (15)	C19—C20—H20	120.4
O4—Ce02—O8	69.52 (14)	C21—C20—H20	120.4
O2—Ce02—O8	74.04 (18)	C20—C21—C22	119.6 (7)
O7—Ce02—O8	50.16 (16)	C20—C21—C23	120.9 (6)
O6—Ce02—O8	119.37 (18)	C22—C21—C23	119.3 (6)
O5—Ce02—O8	113.79 (16)	C17—C22—C21	120.7 (7)
O22ⁱ—Ce02—O8	149.85 (16)	C17—C22—H22	119.6
O3—Ce02—O8	133.78 (18)	C21—C22—H22	119.6
O1—Ce02—C23ⁱ	72.35 (19)	O5ⁱⁱ—C23—O22	120.3 (6)
O4—Ce02—C23ⁱ	150.49 (16)	O5ⁱⁱ—C23—C21	118.9 (6)
O2—Ce02—C23ⁱ	121.66 (19)	O22—C23—C21	120.8 (6)
O7—Ce02—C23ⁱ	101.21 (19)	O5ⁱⁱ—C23—Ce02ⁱⁱ	59.8 (4)
O6—Ce02—C23ⁱ	74.19 (18)	O22—C23—Ce02ⁱⁱ	60.6 (4)
O5—Ce02—C23ⁱ	25.21 (18)	C21—C23—Ce02ⁱⁱ	176.0 (4)
O22ⁱ—Ce02—C23ⁱ	25.37 (17)	O20—C24—O21	119.5 (5)
O3—Ce02—C23ⁱ	90.60 (18)	O20—C24—C17	119.6 (7)
O8—Ce02—C23ⁱ	135.04 (16)	O21—C24—C17	120.9 (7)
O1—Ce02—C15	81.10 (14)	O20—C24—Ce01	58.3 (3)
O4—Ce02—C15	75.91 (17)	O21—C24—Ce01	61.2 (3)
O2—Ce02—C15	98.9 (2)	C17—C24—Ce01	176.7 (6)

9 in total

1. Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage.

Authors: Mohamed Eddaoudi; Jaheon Kim; Nathaniel Rosi; David Vodak; Joseph Wachter; Michael O'Keeffe; Omar M Yaghi
Journal: Science Date: 2002-01-18 Impact factor: 47.728

2. Controlled association of single-molecule magnets (SMMs) into coordination networks: towards a new generation of magnetic materials.

Authors: Ie-Rang Jeon; Rodolphe Clérac
Journal: Dalton Trans Date: 2012-07-09 Impact factor: 4.390

3. A short history of SHELX.

Authors: George M Sheldrick
Journal: Acta Crystallogr A Date: 2007-12-21 Impact factor: 2.290

4. Lanthanide-based luminescent hybrid materials.

Authors: Koen Binnemans
Journal: Chem Rev Date: 2009-09 Impact factor: 60.622

5. Crystals in Gels and Liesegang Rings. In Vitro Veritas. Heinz K. Henisch. Cambridge University Press, New York, 1988. xiv, 197 pp., illus. $54.50.

Authors: D F W; K L
Journal: Science Date: 1988-12-23 Impact factor: 47.728

6. Influence of photoinduced electron transfer on lanthanide-based coordination polymer luminescence: a comparison between two pseudoisoreticular molecular networks.

Authors: Stéphane Freslon; Yun Luo; Guillaume Calvez; Carole Daiguebonne; Olivier Guillou; Kevin Bernot; Vincent Michel; Xiao Fan
Journal: Inorg Chem Date: 2014-01-08 Impact factor: 5.165

7. An empirical correction for absorption anisotropy.

Authors: R H Blessing
Journal: Acta Crystallogr A Date: 1995-01-01 Impact factor: 2.290

8. Syntheses, topological analyses, and NLO-active properties of new Cd(II)/M(II) (M = Ca, Sr) metal-organic frameworks based on R-isophthalic acids (R = H, OH, and t-Bu).

Authors: Jian-Di Lin; Shu-Ting Wu; Zhi-Hua Li; Shao-Wu Du
Journal: Dalton Trans Date: 2010-10-12 Impact factor: 4.390

9. Comparative supramolecular chemistry of coronene, hexahelicene, and [18]crown-6: hydrated and solvated molecular complexes of [18]crown-6 with 5-hydroxyisophthalic acid and related di- and tricarboxylic acids.

Authors: O Ermer; J Neudörfl
Journal: Chemistry Date: 2001-11-19 Impact factor: 5.236

9 in total