Synchrotron study of a fully protonated tetra­phenyl porphyrin

Larsen, F.B.; Hansen, F.G.; McKenzie, C.J.

doi:10.1107/S1600536804004489

Buy article online - an online subscription or single-article purchase is required to access this article.

Synchrotron study of a fully protonated tetraphenyl porphyrin

F. B. Larsen, F. G. Hansen and C. J. McKenzie

5,10,15,20-Tetraphenylporphyrindiium dichloride acetonitrile disolvate monohydrate, C₄₄H₃₂N₄²⁺·2Cl^-·2CH₃CN·H₂O, crystallizes in space group Pnma, with the porphyrin and water molecules sited on crystallographic mirror planes. The extended structure includes a one-dimensional network of hydrogen bonds between the NH groups of the porphyrin, the two Cl^- anions and the solvent water molecule.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804004489/ww6167sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536804004489/ww6167Isup2.hkl Contains datablock I

CCDC reference: 238703

checkCIF report

Key indicators

Single-crystal synchrotron study
T = 150 K
Mean (C-C) = 0.003 Å
R factor = 0.052
wR factor = 0.125
Data-to-parameter ratio = 20.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.91

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           29.40
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               5658
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         6233
           Completeness (_total/calc)             90.77%
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        C24
PLAT731_ALERT_1_C Bond    Calc     0.90(3), Rep   0.910(10) ......       3.00 su-Rat
              O1W  -H2W     1.555   1.555
PLAT735_ALERT_1_C D-H     Calc     0.90(3), Rep   0.910(10) ......       3.00 su-Rat
              O1W  -H2W     1.555   1.555
PLAT736_ALERT_1_C H...A   Calc     2.45(3), Rep   2.450(10) ......       3.00 su-Rat
              H1W  -CL2     1.555   1.555
PLAT736_ALERT_1_C H...A   Calc     2.28(3), Rep   2.280(10) ......       3.00 su-Rat
              H2W  -CL1     1.555   6.656

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Siemens, 1996); software used to prepare material for publication: SHELXL97.

5,10,15,20-Tetraphenylporphyrindiium dichloride diacetonitrile monohydrate top

Crystal data top

C₄₄H₃₂N₄²⁺·2Cl⁻·2C₂H₃N·H₂O	F(000) = 1648
M_r = 787.76	D_x = 1.293 Mg m⁻³
Orthorhombic, Pnma	Synchrotron radiation, λ = 0.6900 Å
Hall symbol: -P 2ac 2n	Cell parameters from 5893 reflections
a = 18.975 (4) Å	θ = 5.2–58.6°
b = 25.920 (5) Å	µ = 0.21 mm⁻¹
c = 8.228 (2) Å	T = 150 K
V = 4046.8 (15) Å³	Needle, green
Z = 4	0.08 × 0.02 × 0.01 mm

Data collection top

Bruker SMART CCD area-detector diffractometer	5658 independent reflections
Radiation source: Daresbury SRS, Station 9.8	4241 reflections with I > 2σ(I)
Silicon 111 monochromator	R_int = 0.039
Detector resolution: 8.192 pixels mm^-1	θ_max = 29.4°, θ_min = 2.1°
thin slice ω scans	h = −26→16
Absorption correction: multi-scan (SADABS; Sheldrick, 1997)	k = −22→36
T_min = 0.984, T_max = 0.998	l = −11→11
13131 measured reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.125	H atoms treated by a mixture of independent and constrained refinement
S = 1.02	w = 1/[σ²(F_o²) + (0.0488P)² + 2.6837P] where P = (F_o² + 2F_c²)/3
5658 reflections	(Δ/σ)_max < 0.001
283 parameters	Δρ_max = 0.41 e Å⁻³
6 restraints	Δρ_min = −0.40 e Å⁻³

Special details top

Experimental. Correction applied by SADABS (Sheldrick, 1997). The transmission factors are not real since they include corrections for beam decay and possibly crystal decay (the two cannot be distinguished). The numbers listed in the CIF are those calculated by SHELXL97 (Sheldrick, 1997).

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Cl1	0.41785 (3)	0.2500	0.10878 (7)	0.02297 (14)
Cl2	0.63584 (3)	0.2500	0.40721 (8)	0.02392 (14)
N1	0.46718 (10)	0.2500	0.4618 (2)	0.0157 (4)
N2	0.53167 (7)	0.16561 (5)	0.25306 (17)	0.0168 (3)
N3	0.57991 (11)	0.2500	0.0238 (2)	0.0170 (4)
C1	0.46030 (9)	0.22358 (6)	0.7227 (2)	0.0193 (3)
H1	0.4586	0.2020	0.8159	0.023*
C2	0.46328 (8)	0.20676 (6)	0.5573 (2)	0.0162 (3)
C3	0.45824 (8)	0.15558 (6)	0.4998 (2)	0.0167 (3)
C4	0.42269 (9)	0.11726 (6)	0.6050 (2)	0.0193 (3)
C5	0.36167 (9)	0.13116 (7)	0.6900 (2)	0.0252 (4)
H5	0.3448	0.1656	0.6840	0.030*
C6	0.32557 (11)	0.09510 (8)	0.7830 (3)	0.0337 (5)
H6	0.2841	0.1049	0.8399	0.040*
C7	0.34995 (11)	0.04468 (8)	0.7930 (3)	0.0339 (5)
H7	0.3246	0.0198	0.8546	0.041*
C8	0.41150 (11)	0.03062 (7)	0.7127 (2)	0.0296 (4)
H8	0.4288	−0.0037	0.7218	0.036*
C9	0.44786 (10)	0.06645 (7)	0.6193 (2)	0.0238 (4)
H9	0.4899	0.0566	0.5648	0.029*
C10	0.48219 (9)	0.14028 (6)	0.3445 (2)	0.0178 (3)
C11	0.45890 (9)	0.09688 (6)	0.2511 (2)	0.0220 (4)
H11	0.4246	0.0722	0.2835	0.026*
C12	0.49472 (9)	0.09719 (7)	0.1073 (2)	0.0230 (4)
H12	0.4895	0.0729	0.0217	0.028*
C13	0.54148 (9)	0.14052 (6)	0.1077 (2)	0.0184 (3)
C14	0.58867 (9)	0.15569 (6)	−0.0160 (2)	0.0183 (3)
C15	0.61118 (9)	0.11709 (7)	−0.1389 (2)	0.0207 (3)
C16	0.62892 (10)	0.06665 (7)	−0.0914 (2)	0.0263 (4)
H16	0.6261	0.0571	0.0199	0.032*
C17	0.65046 (11)	0.03062 (8)	−0.2059 (3)	0.0325 (4)
H17	0.6624	−0.0034	−0.1726	0.039*
C18	0.65469 (11)	0.04408 (8)	−0.3691 (3)	0.0328 (5)
H18	0.6694	0.0194	−0.4473	0.039*
C19	0.63735 (10)	0.09381 (8)	−0.4173 (2)	0.0302 (4)
H19	0.6401	0.1030	−0.5289	0.036*
C20	0.61604 (9)	0.13026 (7)	−0.3035 (2)	0.0234 (4)
H20	0.6047	0.1643	−0.3376	0.028*
C21	0.61354 (9)	0.20671 (6)	−0.0331 (2)	0.0178 (3)
C22	0.67436 (9)	0.22376 (7)	−0.1209 (2)	0.0220 (4)
H22	0.7087	0.2022	−0.1705	0.026*
H1N	0.4583 (17)	0.2500	0.3566 (14)	0.031 (9)*
H2N	0.5610 (10)	0.1891 (7)	0.290 (3)	0.035 (6)*
H3N	0.5365 (7)	0.2500	0.060 (3)	0.023 (8)*
C23	0.78052 (14)	0.32828 (10)	0.2292 (4)	0.0568 (8)
H233	0.8213	0.3233	0.3007	0.080 (11)*
H232	0.7922	0.3164	0.1194	0.15 (2)*
H231	0.7404	0.3085	0.2709	0.081 (10)*
C24	0.76226 (12)	0.38258 (9)	0.2242 (3)	0.0405 (5)
N4	0.74778 (15)	0.42473 (10)	0.2175 (4)	0.0720 (8)
O1W	0.78476 (13)	0.2500	0.6270 (3)	0.0646 (9)
H1W	0.7444 (11)	0.2500	0.568 (4)	0.078*
H2W	0.8215 (12)	0.2500	0.557 (4)	0.078*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cl1	0.0184 (3)	0.0357 (3)	0.0148 (3)	0.000	−0.0009 (2)	0.000
Cl2	0.0214 (3)	0.0237 (3)	0.0266 (3)	0.000	−0.0033 (2)	0.000
N1	0.0198 (9)	0.0151 (9)	0.0123 (9)	0.000	0.0003 (7)	0.000
N2	0.0198 (7)	0.0145 (6)	0.0162 (7)	−0.0009 (5)	0.0014 (5)	−0.0011 (5)
N3	0.0182 (9)	0.0168 (9)	0.0159 (10)	0.000	0.0041 (8)	0.000
C1	0.0236 (8)	0.0188 (8)	0.0156 (8)	−0.0003 (6)	0.0001 (6)	0.0011 (6)
C2	0.0162 (7)	0.0176 (8)	0.0146 (7)	0.0001 (6)	0.0015 (6)	0.0010 (6)
C3	0.0171 (7)	0.0161 (7)	0.0168 (8)	−0.0008 (6)	0.0002 (6)	0.0016 (6)
C4	0.0232 (8)	0.0163 (8)	0.0184 (8)	−0.0028 (6)	0.0007 (7)	0.0016 (6)
C5	0.0244 (8)	0.0230 (9)	0.0281 (10)	−0.0013 (7)	0.0063 (7)	0.0024 (7)
C6	0.0290 (10)	0.0336 (11)	0.0385 (12)	−0.0043 (8)	0.0124 (9)	0.0060 (9)
C7	0.0387 (11)	0.0281 (10)	0.0348 (11)	−0.0103 (8)	0.0056 (9)	0.0097 (8)
C8	0.0403 (11)	0.0181 (9)	0.0306 (10)	−0.0029 (8)	0.0002 (9)	0.0050 (7)
C9	0.0277 (9)	0.0202 (8)	0.0235 (9)	−0.0001 (7)	0.0020 (7)	0.0015 (7)
C10	0.0193 (8)	0.0155 (7)	0.0187 (8)	0.0001 (6)	0.0009 (6)	0.0007 (6)
C11	0.0263 (9)	0.0162 (8)	0.0233 (9)	−0.0042 (6)	0.0018 (7)	−0.0029 (7)
C12	0.0280 (9)	0.0191 (8)	0.0219 (9)	−0.0017 (7)	0.0013 (7)	−0.0047 (7)
C13	0.0211 (8)	0.0157 (7)	0.0185 (8)	0.0023 (6)	−0.0005 (6)	−0.0013 (6)
C14	0.0201 (8)	0.0182 (8)	0.0165 (8)	0.0019 (6)	0.0012 (6)	−0.0005 (6)
C15	0.0202 (8)	0.0198 (8)	0.0219 (9)	0.0007 (6)	0.0023 (7)	−0.0035 (7)
C16	0.0308 (9)	0.0217 (9)	0.0264 (9)	0.0015 (7)	0.0043 (8)	−0.0024 (7)
C17	0.0345 (10)	0.0205 (9)	0.0425 (12)	0.0029 (8)	0.0034 (9)	−0.0077 (8)
C18	0.0273 (9)	0.0362 (11)	0.0350 (11)	0.0008 (8)	0.0028 (8)	−0.0191 (9)
C19	0.0259 (9)	0.0446 (12)	0.0202 (9)	0.0009 (8)	0.0001 (7)	−0.0092 (8)
C20	0.0202 (8)	0.0278 (9)	0.0223 (9)	0.0019 (7)	0.0010 (7)	−0.0030 (7)
C21	0.0188 (7)	0.0196 (8)	0.0150 (8)	0.0022 (6)	−0.0002 (6)	−0.0005 (6)
C22	0.0194 (8)	0.0241 (9)	0.0226 (9)	0.0012 (7)	0.0043 (7)	0.0000 (7)
C23	0.0390 (13)	0.0433 (14)	0.088 (2)	0.0016 (11)	0.0011 (14)	0.0269 (15)
C24	0.0347 (11)	0.0407 (13)	0.0462 (14)	−0.0051 (9)	−0.0074 (10)	0.0056 (11)
N4	0.0767 (18)	0.0405 (13)	0.099 (2)	0.0000 (12)	−0.0206 (17)	−0.0050 (14)
O1W	0.0283 (12)	0.133 (3)	0.0327 (13)	0.000	0.0089 (10)	0.000

Geometric parameters (Å, º) top

N1—C2ⁱ	1.3707 (19)	C11—H11	0.950
N1—C2	1.3707 (19)	C12—C13	1.431 (2)
N1—H1N	0.88 (1)	C12—H12	0.950
N2—C10	1.370 (2)	C13—C14	1.411 (2)
N2—C13	1.374 (2)	C14—C21	1.411 (2)
N2—H2N	0.88 (1)	C14—C15	1.485 (2)
N3—C21	1.373 (2)	C15—C20	1.400 (3)
N3—C21ⁱ	1.373 (2)	C15—C16	1.405 (3)
N3—H3N	0.88 (1)	C16—C17	1.388 (3)
C1—C1ⁱ	1.369 (3)	C16—H16	0.950
C1—C2	1.430 (2)	C17—C18	1.389 (3)
C1—H1	0.950	C17—H17	0.950
C2—C3	1.412 (2)	C18—C19	1.388 (3)
C3—C10	1.413 (2)	C18—H18	0.950
C3—C4	1.480 (2)	C19—C20	1.390 (3)
C4—C5	1.400 (2)	C19—H19	0.950
C4—C9	1.406 (2)	C20—H20	0.950
C5—C6	1.389 (3)	C21—C22	1.431 (2)
C5—H5	0.950	C22—C22ⁱ	1.361 (4)
C6—C7	1.389 (3)	C22—H22	0.950
C6—H6	0.950	C23—C24	1.450 (4)
C7—C8	1.391 (3)	C23—H233	0.980
C7—H7	0.950	C23—H232	0.980
C8—C9	1.389 (3)	C23—H231	0.980
C8—H8	0.950	C24—N4	1.128 (3)
C9—H9	0.950	O1W—H1W	0.91 (1)
C10—C11	1.432 (2)	O1W—H2W	0.91 (1)
C11—C12	1.365 (3)

C2ⁱ—N1—C2	109.70 (19)	C11—C12—C13	108.13 (15)
C2ⁱ—N1—H1N	123.5 (4)	C11—C12—H12	125.9
C2—N1—H1N	123.5 (4)	C13—C12—H12	125.9
C10—N2—C13	110.10 (13)	N2—C13—C14	125.57 (15)
C10—N2—H2N	125.2 (16)	N2—C13—C12	106.82 (14)
C13—N2—H2N	122.8 (16)	C14—C13—C12	127.61 (16)
C21—N3—C21ⁱ	109.58 (19)	C21—C14—C13	123.04 (15)
C21—N3—H3N	123.6 (4)	C21—C14—C15	117.86 (15)
C21ⁱ—N3—H3N	123.6 (4)	C13—C14—C15	119.05 (15)
C1ⁱ—C1—C2	107.75 (9)	C20—C15—C16	118.67 (16)
C1ⁱ—C1—H1	126.1	C20—C15—C14	120.88 (16)
C2—C1—H1	126.1	C16—C15—C14	120.45 (16)
N1—C2—C3	125.43 (15)	C17—C16—C15	120.53 (18)
N1—C2—C1	107.36 (14)	C17—C16—H16	119.7
C3—C2—C1	127.07 (15)	C15—C16—H16	119.7
C2—C3—C10	123.04 (15)	C16—C17—C18	120.26 (19)
C2—C3—C4	117.72 (14)	C16—C17—H17	119.9
C10—C3—C4	119.16 (15)	C18—C17—H17	119.9
C5—C4—C9	118.70 (16)	C19—C18—C17	119.70 (18)
C5—C4—C3	119.78 (15)	C19—C18—H18	120.1
C9—C4—C3	121.51 (15)	C17—C18—H18	120.1
C6—C5—C4	120.69 (17)	C18—C19—C20	120.49 (19)
C6—C5—H5	119.7	C18—C19—H19	119.8
C4—C5—H5	119.7	C20—C19—H19	119.8
C5—C6—C7	120.11 (19)	C19—C20—C15	120.35 (18)
C5—C6—H6	119.9	C19—C20—H20	119.8
C7—C6—H6	119.9	C15—C20—H20	119.8
C6—C7—C8	119.88 (18)	N3—C21—C14	125.19 (15)
C6—C7—H7	120.1	N3—C21—C22	107.14 (15)
C8—C7—H7	120.1	C14—C21—C22	127.53 (15)
C9—C8—C7	120.33 (18)	C22ⁱ—C22—C21	107.97 (10)
C9—C8—H8	119.8	C22ⁱ—C22—H22	126.0
C7—C8—H8	119.8	C21—C22—H22	126.0
C8—C9—C4	120.26 (17)	C24—C23—H233	109.5
C8—C9—H9	119.9	C24—C23—H232	109.5
C4—C9—H9	119.9	H233—C23—H232	109.5
N2—C10—C3	125.60 (15)	C24—C23—H231	109.5
N2—C10—C11	107.06 (14)	H233—C23—H231	109.5
C3—C10—C11	127.33 (15)	H232—C23—H231	109.5
C12—C11—C10	107.87 (15)	N4—C24—C23	178.8 (3)
C12—C11—H11	126.1	H1W—O1W—H2W	107.7 (15)
C10—C11—H11	126.1

C2ⁱ—N1—C2—C3	173.03 (10)	C10—N2—C13—C14	−179.76 (16)
C2ⁱ—N1—C2—C1	−3.0 (2)	C10—N2—C13—C12	0.68 (18)
C1ⁱ—C1—C2—N1	1.81 (15)	C11—C12—C13—N2	−0.6 (2)
C1ⁱ—C1—C2—C3	−174.13 (14)	C11—C12—C13—C14	179.81 (17)
N1—C2—C3—C10	24.3 (3)	N2—C13—C14—C21	−22.8 (3)
C1—C2—C3—C10	−160.41 (17)	C12—C13—C14—C21	156.65 (17)
N1—C2—C3—C4	−152.33 (17)	N2—C13—C14—C15	159.91 (16)
C1—C2—C3—C4	22.9 (2)	C12—C13—C14—C15	−20.6 (3)
C2—C3—C4—C5	40.5 (2)	C21—C14—C15—C20	−39.3 (2)
C10—C3—C4—C5	−136.31 (18)	C13—C14—C15—C20	138.07 (17)
C2—C3—C4—C9	−140.96 (17)	C21—C14—C15—C16	139.86 (17)
C10—C3—C4—C9	42.2 (2)	C13—C14—C15—C16	−42.7 (2)
C9—C4—C5—C6	−1.8 (3)	C20—C15—C16—C17	−0.3 (3)
C3—C4—C5—C6	176.81 (18)	C14—C15—C16—C17	−179.53 (17)
C4—C5—C6—C7	0.2 (3)	C15—C16—C17—C18	0.0 (3)
C5—C6—C7—C8	1.5 (3)	C16—C17—C18—C19	0.1 (3)
C6—C7—C8—C9	−1.5 (3)	C17—C18—C19—C20	0.2 (3)
C7—C8—C9—C4	−0.1 (3)	C18—C19—C20—C15	−0.6 (3)
C5—C4—C9—C8	1.7 (3)	C16—C15—C20—C19	0.6 (3)
C3—C4—C9—C8	−176.87 (17)	C14—C15—C20—C19	179.85 (16)
C13—N2—C10—C3	−179.08 (16)	C21ⁱ—N3—C21—C14	−171.72 (11)
C13—N2—C10—C11	−0.46 (18)	C21ⁱ—N3—C21—C22	4.2 (2)
C2—C3—C10—N2	22.5 (3)	C13—C14—C21—N3	−23.7 (3)
C4—C3—C10—N2	−160.90 (16)	C15—C14—C21—N3	153.60 (18)
C2—C3—C10—C11	−155.87 (17)	C13—C14—C21—C22	161.18 (17)
C4—C3—C10—C11	20.8 (3)	C15—C14—C21—C22	−21.5 (3)
N2—C10—C11—C12	0.1 (2)	N3—C21—C22—C22ⁱ	−2.57 (15)
C3—C10—C11—C12	178.64 (17)	C14—C21—C22—C22ⁱ	173.27 (15)
C10—C11—C12—C13	0.4 (2)

Symmetry code: (i) x, −y+1/2, z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1N···Cl1	0.88 (1)	2.18 (1)	3.052 (2)	170 (3)
N2—H2N···Cl2	0.88 (1)	2.33 (1)	3.2095 (15)	176 (2)
N3—H3N···Cl1	0.88 (1)	2.29 (1)	3.154 (2)	170 (3)
O1W—H1W···Cl2	0.91 (1)	2.45 (1)	3.355 (3)	180 (3)
O1W—H2W···Cl1ⁱⁱ	0.91 (1)	2.28 (1)	3.185 (2)	177 (3)

Symmetry code: (ii) x+1/2, y, −z+1/2.

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.

E-mail address*
Repeat e-mail address* (for error checking)

Format*	PDF (US $40)
	HTML (US $40)
	PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number (non-UK EC countries only)
Country*

Terms and conditions of use
Contact us

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Text
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page