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metal-organic compounds
The reaction of ferric sulfate with ethylenediamine in the presence of acid under hydrothermal conditions results in the title compound, (C2H10N2)2[FeIII(OH)(SO4)2](SO4)·H2O. The six-coordinate ferrate dianion participates in a μ2-hydroxo-di-μ2-sulfate-bridged chain. The component species interact with each other by an extensive network of O—HO and N—HO hydrogen bonds. The two independent FeIII atoms lie on sites of symmetry.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805020866/hb6234sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805020866/hb6234Isup2.hkl |
CCDC reference: 282365
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.003 Å
- R factor = 0.028
- wR factor = 0.081
- Data-to-parameter ratio = 11.2
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 8 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 14 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.840(10) ...... 3.00 su-Rat O1W -H1W2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat N1 -H1N1 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.96(3), Rep 0.950(10) ...... 3.00 su-Rat C1 -H1A 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.840(10) ...... 3.00 su-Rat O1W -H2# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat N1 -H3# 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 1.98(3), Rep 1.990(10) ...... 3.00 su-Rat H2# -O7 1.555 1.545
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 7 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 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion
checkCIF publication errors
Alert level A PUBL023_ALERT_1_A There is a mismatched ^ on line 131 [Fe(OH)(SO~4~)~2~]~n~ chain whose Fe^III atoms are bridged by the hydroxo and If you require a ^ then it should be escaped with a \, i.e. \^ Otherwise there must be a matching closing ~, e.g. ^12^C
1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing
Computing details top
Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
catena-Poly[[bis(ethane-1,2-diaminium)
[ferrate(III)-µ-hydroxo-κ2O:O-di-µ-sulfato-κ4O:O']] sulfate monohydrate] top
Crystal data top
(C2H10N2)2[Fe(OH)(SO4)2](SO4)·2H2O | Z = 2 |
Mr = 503.29 | F(000) = 522 |
Triclinic, P1 | Dx = 2.029 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 7.1352 (4) Å | Cell parameters from 4504 reflections |
b = 8.7869 (5) Å | θ = 2.3–28.4° |
c = 13.1860 (7) Å | µ = 1.38 mm−1 |
α = 88.659 (1)° | T = 295 K |
β = 85.782 (1)° | Plate, yellow |
γ = 88.145 (1)° | 0.25 × 0.06 × 0.04 mm |
V = 823.86 (8) Å3 |
Data collection top
Bruker APEX area-detector diffractometer | 3695 independent reflections |
Radiation source: fine-focus sealed tube | 3324 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.023 |
φ and ω scans | θmax = 27.5°, θmin = 1.6° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −9→9 |
Tmin = 0.795, Tmax = 0.947 | k = −11→11 |
9220 measured reflections | l = −16→17 |
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)] = 0.028 | Hydrogen site location: difference Fourier map |
wR(F2) = 0.081 | All H-atom parameters refined |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0499P)2 + 0.2749P] where P = (Fo2 + 2Fc2)/3 |
3695 reflections | (Δ/σ)max = 0.001 |
330 parameters | Δρmax = 0.43 e Å−3 |
23 restraints | Δρmin = −0.32 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Fe1 | 0.5000 | 0.5000 | 0.5000 | 0.0130 (1) | |
Fe2 | 0.0000 | 0.5000 | 0.5000 | 0.0121 (1) | |
S1 | 0.26550 (6) | 0.55848 (5) | 0.29144 (4) | 0.01369 (12) | |
S2 | 0.23751 (6) | 0.79738 (5) | 0.54691 (4) | 0.01315 (12) | |
S3 | 0.73865 (7) | 0.85050 (6) | 0.07837 (4) | 0.01864 (13) | |
O1 | 0.4351 (2) | 0.5136 (2) | 0.3477 (1) | 0.0195 (3) | |
O2 | 0.0957 (2) | 0.4938 (2) | 0.3502 (1) | 0.0172 (3) | |
O3 | 0.2837 (2) | 0.4921 (2) | 0.1922 (1) | 0.0252 (3) | |
O4 | 0.2409 (2) | 0.7239 (2) | 0.2870 (1) | 0.0246 (3) | |
O5 | 0.4179 (2) | 0.7171 (2) | 0.5119 (1) | 0.0202 (3) | |
O6 | 0.0775 (2) | 0.7155 (2) | 0.5086 (1) | 0.0174 (3) | |
O7 | 0.2415 (2) | 0.9501 (2) | 0.5010 (1) | 0.0213 (3) | |
O8 | 0.2198 (2) | 0.8005 (2) | 0.6568 (1) | 0.0245 (3) | |
O9 | 0.2475 (2) | 0.4344 (2) | 0.5435 (1) | 0.0149 (3) | |
O10 | 0.7026 (3) | 0.8595 (2) | −0.0293 (1) | 0.0431 (5) | |
O11 | 0.9066 (2) | 0.7535 (2) | 0.0953 (1) | 0.0335 (4) | |
O12 | 0.5764 (2) | 0.7824 (2) | 0.1364 (1) | 0.0267 (4) | |
O13 | 0.7678 (2) | 1.0042 (2) | 0.1163 (1) | 0.0294 (4) | |
O1w | 0.1502 (2) | 0.1695 (2) | 0.6476 (1) | 0.0256 (3) | |
N1 | 0.5114 (3) | 0.0239 (2) | 0.6893 (2) | 0.0234 (4) | |
N2 | 0.8743 (3) | −0.0060 (2) | 0.8029 (2) | 0.0276 (4) | |
N3 | 0.7895 (3) | 0.4967 (2) | 0.2158 (2) | 0.0231 (4) | |
N4 | 0.7192 (3) | 0.2633 (2) | −0.0123 (2) | 0.0229 (4) | |
C1 | 0.6050 (3) | −0.1178 (3) | 0.7269 (2) | 0.0255 (5) | |
C2 | 0.8140 (3) | −0.1085 (3) | 0.7246 (2) | 0.0244 (5) | |
C3 | 0.8286 (3) | 0.3798 (3) | 0.1378 (2) | 0.0232 (5) | |
C4 | 0.6896 (3) | 0.3944 (3) | 0.0565 (2) | 0.0222 (4) | |
H9o | 0.239 (3) | 0.3481 (15) | 0.571 (2) | 0.021 (6)* | |
H1w1 | 0.038 (2) | 0.202 (3) | 0.652 (2) | 0.04 (1)* | |
H1w2 | 0.150 (4) | 0.110 (3) | 0.598 (2) | 0.03 (1)* | |
H1n1 | 0.522 (5) | 0.095 (3) | 0.731 (2) | 0.05 (1)* | |
H1n2 | 0.393 (2) | 0.010 (4) | 0.692 (3) | 0.06 (1)* | |
H1n3 | 0.553 (4) | 0.053 (3) | 0.629 (1) | 0.04 (1)* | |
H2n1 | 0.841 (4) | 0.087 (2) | 0.792 (2) | 0.03 (1)* | |
H2n2 | 0.993 (2) | −0.010 (4) | 0.808 (2) | 0.04 (1)* | |
H2n3 | 0.818 (4) | −0.032 (3) | 0.860 (1) | 0.04 (1)* | |
H3n1 | 0.806 (4) | 0.585 (2) | 0.189 (2) | 0.04 (1)* | |
H3n2 | 0.874 (3) | 0.492 (3) | 0.258 (2) | 0.04 (1)* | |
H3n3 | 0.685 (3) | 0.502 (4) | 0.251 (2) | 0.06 (1)* | |
H4n1 | 0.827 (2) | 0.267 (3) | −0.045 (2) | 0.04 (1)* | |
H4n2 | 0.634 (3) | 0.260 (4) | −0.054 (2) | 0.04 (1)* | |
H4n3 | 0.722 (4) | 0.177 (2) | 0.020 (2) | 0.04 (1)* | |
H1a | 0.587 (4) | −0.195 (3) | 0.679 (2) | 0.04 (1)* | |
H1b | 0.551 (3) | −0.141 (3) | 0.793 (1) | 0.03 (1)* | |
H2a | 0.877 (4) | −0.203 (2) | 0.737 (2) | 0.05 (1)* | |
H2b | 0.863 (3) | −0.074 (3) | 0.659 (1) | 0.03 (1)* | |
H3a | 0.820 (4) | 0.288 (2) | 0.176 (2) | 0.02 (1)* | |
H3b | 0.952 (2) | 0.399 (3) | 0.111 (2) | 0.05 (1)* | |
H4a | 0.566 (2) | 0.397 (3) | 0.087 (2) | 0.02 (1)* | |
H4b | 0.708 (4) | 0.484 (2) | 0.017 (2) | 0.04 (1)* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe1 | 0.0083 (2) | 0.0142 (2) | 0.0164 (2) | 0.0000 (1) | −0.0007 (1) | −0.0004 (2) |
Fe2 | 0.0085 (2) | 0.0142 (2) | 0.0136 (2) | −0.0012 (1) | −0.0016 (1) | 0.0002 (1) |
S1 | 0.0114 (2) | 0.0167 (2) | 0.0128 (2) | −0.0002 (2) | −0.0003 (2) | 0.0008 (2) |
S2 | 0.0118 (2) | 0.0127 (2) | 0.0151 (2) | −0.0009 (2) | −0.0012 (2) | −0.0007 (2) |
S3 | 0.0187 (3) | 0.0206 (3) | 0.0168 (3) | −0.0043 (2) | −0.0015 (2) | 0.0015 (2) |
O1 | 0.013 (1) | 0.029 (1) | 0.017 (1) | 0.001 (1) | −0.0017 (1) | 0.002 (1) |
O2 | 0.013 (1) | 0.024 (1) | 0.015 (1) | −0.005 (1) | 0.000 (1) | −0.001 (1) |
O3 | 0.025 (1) | 0.035 (1) | 0.016 (1) | −0.002 (1) | 0.001 (1) | −0.005 (1) |
O4 | 0.025 (1) | 0.017 (1) | 0.031 (1) | 0.000 (1) | 0.001 (1) | 0.004 (1) |
O5 | 0.013 (1) | 0.016 (1) | 0.031 (1) | 0.000 (1) | 0.001 (1) | −0.003 (1) |
O6 | 0.014 (1) | 0.016 (1) | 0.023 (1) | −0.002 (1) | −0.006 (1) | −0.001 (1) |
O7 | 0.023 (1) | 0.013 (1) | 0.028 (1) | −0.001 (1) | 0.000 (1) | 0.002 (1) |
O8 | 0.023 (1) | 0.035 (1) | 0.017 (1) | −0.005 (1) | −0.001 (1) | −0.003 (1) |
O9 | 0.010 (1) | 0.015 (1) | 0.020 (1) | −0.001 (1) | −0.002 (1) | 0.003 (1) |
O10 | 0.05 (1) | 0.061 (1) | 0.017 (1) | −0.018 (1) | −0.006 (1) | 0.006 (1) |
O11 | 0.023 (1) | 0.027 (1) | 0.048 (1) | 0.004 (1) | 0.004 (1) | 0.003 (1) |
O12 | 0.021 (1) | 0.035 (1) | 0.024 (1) | −0.011 (1) | 0.001 (1) | 0.002 (1) |
O13 | 0.030 (1) | 0.019 (1) | 0.041 (1) | −0.004 (1) | −0.011 (1) | −0.002 (1) |
O1w | 0.026 (1) | 0.022 (1) | 0.029 (1) | 0.004 (1) | −0.006 (1) | 0.000 (1) |
N1 | 0.017 (1) | 0.027 (1) | 0.027 (1) | −0.001 (1) | −0.004 (1) | −0.004 (1) |
N2 | 0.025 (1) | 0.028 (1) | 0.032 (1) | −0.008 (1) | −0.011 (1) | 0.006 (1) |
N3 | 0.025 (1) | 0.025 (1) | 0.020 (1) | −0.001 (1) | −0.005 (1) | 0.000 (1) |
N4 | 0.022 (1) | 0.027 (1) | 0.021 (1) | −0.001 (1) | −0.003 (1) | −0.003 (1) |
C1 | 0.022 (1) | 0.024 (1) | 0.032 (1) | −0.004 (1) | −0.008 (1) | 0.000 (1) |
C2 | 0.021 (1) | 0.026 (1) | 0.027 (1) | 0.003 (1) | −0.004 (1) | −0.002 (1) |
C3 | 0.023 (1) | 0.026 (1) | 0.021 (1) | 0.004 (1) | −0.003 (1) | −0.001 (1) |
C4 | 0.023 (1) | 0.024 (1) | 0.020 (1) | 0.003 (1) | −0.004 (1) | −0.001 (1) |
Geometric parameters (Å, º) top
Fe1—O1 | 2.094 (1) | N4—C4 | 1.483 (3) |
Fe1—O1i | 2.094 (1) | C1—C2 | 1.494 (3) |
Fe1—O5 | 1.983 (1) | C3—C4 | 1.513 (3) |
Fe1—O5i | 1.983 (1) | O9—H9o | 0.84 (1) |
Fe1—O9 | 1.951 (1) | O1w—H1w1 | 0.84 (1) |
Fe1—O9i | 1.951 (1) | O1w—H1w2 | 0.84 (1) |
Fe2—O2 | 2.044 (1) | N1—H1n1 | 0.85 (1) |
Fe2—O2ii | 2.044 (1) | N1—H1n2 | 0.85 (1) |
Fe2—O6 | 1.998 (1) | N1—H1n3 | 0.86 (1) |
Fe2—O6ii | 1.998 (1) | N2—H2n1 | 0.86 (1) |
Fe2—O9 | 1.962 (1) | N2—H2n2 | 0.85 (1) |
Fe2—O9ii | 1.962 (1) | N2—H2n3 | 0.85 (1) |
S1—O3 | 1.441 (2) | N3—H3n1 | 0.85 (1) |
S1—O4 | 1.458 (2) | N3—H3n2 | 0.85 (1) |
S1—O1 | 1.502 (1) | N3—H3n3 | 0.85 (1) |
S1—O2 | 1.509 (1) | N4—H4n1 | 0.86 (1) |
S2—O8 | 1.446 (2) | N4—H4n2 | 0.86 (1) |
S2—O7 | 1.459 (2) | N4—H4n3 | 0.86 (1) |
S2—O6 | 1.493 (1) | C1—H1a | 0.95 (1) |
S2—O5 | 1.496 (2) | C1—H1b | 0.95 (1) |
S3—O10 | 1.461 (2) | C2—H2a | 0.95 (1) |
S3—O11 | 1.475 (2) | C2—H2b | 0.95 (1) |
S3—O12 | 1.475 (2) | C3—H3a | 0.94 (1) |
S3—O13 | 1.477 (2) | C3—H3b | 0.94 (1) |
N1—C1 | 1.486 (3) | C4—H4a | 0.94 (1) |
N2—C2 | 1.482 (3) | C4—H4b | 0.94 (1) |
N3—C3 | 1.477 (3) | ||
O1—Fe1—O1i | 180 | N4—C4—C3 | 108.9 (2) |
O1—Fe1—O5 | 87.99 (6) | H1w1—O1w—H1w2 | 102 (3) |
O1—Fe1—O5i | 92.01 (6) | C1—N1—H1n1 | 110 (2) |
O1—Fe1—O9 | 91.53 (6) | C1—N1—H1n2 | 108 (2) |
O1—Fe1—O9i | 88.47 (6) | H1n1—N1—H1n2 | 104 (3) |
O5—Fe1—O5i | 180 | C1—N1—H1n3 | 114 (2) |
O5—Fe1—O9 | 91.13 (6) | H1n1—N1—H1n3 | 110 (3) |
O5—Fe1—O9i | 88.87 (6) | H1n2—N1—H1n3 | 111 (3) |
O9i—Fe1—O9 | 180 | C2—N2—H2n1 | 113 (2) |
O2—Fe2—O2ii | 180 | C2—N2—H2n2 | 113 (2) |
O2—Fe2—O6 | 90.99 (6) | H2n1—N2—H2n2 | 108 (3) |
O2—Fe2—O6ii | 89.00 (6) | C2—N2—H2n3 | 108 (2) |
O2—Fe2—O9 | 91.61 (6) | H2n1—N2—H2n3 | 106 (3) |
O2—Fe2—O9ii | 88.39 (6) | H2n2—N2—H2n3 | 110 (3) |
O6—Fe2—O6ii | 180 | C3—N3—H3n1 | 109 (2) |
O6—Fe2—O9 | 88.39 (6) | C3—N3—H3n2 | 110 (2) |
O6—Fe2—O9ii | 91.61 (6) | H3n1—N3—H3n2 | 102 (3) |
O9—Fe2—O9ii | 180 | C3—N3—H3n3 | 121 (2) |
O3—S1—O4 | 112.8 (1) | H3n1—N3—H3n3 | 106 (3) |
O3—S1—O1 | 109.3 (1) | H3n2—N3—H3n3 | 106 (3) |
O4—S1—O1 | 110.2 (1) | C4—N4—H4n1 | 110 (2) |
O3—S1—O2 | 108.5 (1) | C4—N4—H4n2 | 112 (2) |
O4—S1—O2 | 108.3 (1) | H4n1—N4—H4n2 | 110 (3) |
O1—S1—O2 | 107.7 (1) | C4—N4—H4n3 | 113 (2) |
O8—S2—O7 | 112.1 (1) | H4n1—N4—H4n3 | 104 (3) |
O8—S2—O6 | 110.2 (1) | H4n2—N4—H4n3 | 107 (3) |
O7—S2—O6 | 108.7 (1) | N1—C1—H1a | 107 (2) |
O8—S2—O5 | 109.7 (1) | C2—C1—H1a | 103 (2) |
O7—S2—O5 | 107.0 (1) | N1—C1—H1b | 108 (2) |
O6—S2—O5 | 108.9 (1) | C2—C1—H1b | 112 (2) |
O10—S3—O11 | 111.3 (1) | H1a—C1—H1b | 113 (2) |
O10—S3—O12 | 109.1 (1) | N2—C2—H2a | 105 (2) |
O11—S3—O12 | 107.9 (1) | C1—C2—H2a | 114 (2) |
O10—S3—O13 | 110.1 (1) | N2—C2—H2b | 109 (2) |
O11—S3—O13 | 108.7 (1) | C1—C2—H2b | 110 (2) |
O12—S3—O13 | 109.7 (1) | H2a—C2—H2b | 106 (2) |
S1—O1—Fe1 | 136.20 (9) | N3—C3—H3a | 103 (2) |
S1—O2—Fe2 | 132.86 (8) | C4—C3—H3a | 113 (2) |
S2—O5—Fe1 | 134.20 (9) | N3—C3—H3b | 104 (2) |
S2—O6—Fe2 | 137.17 (9) | C4—C3—H3b | 112 (2) |
Fe1—O9—Fe2 | 131.52 (7) | H3a—C3—H3b | 113 (2) |
Fe1—O9—H9o | 117 (2) | N4—C4—H4a | 111 (2) |
Fe2—O9—H9o | 109 (2) | C3—C4—H4a | 110 (2) |
N1—C1—C2 | 113.3 (2) | N4—C4—H4b | 107 (2) |
N2—C2—C1 | 112.3 (2) | C3—C4—H4b | 111 (2) |
N3—C3—C4 | 111.1 (2) | H4a—C4—H4b | 109 (2) |
O3—S1—O1—Fe1 | −158.8 (1) | O1—Fe1—O5—S2 | 95.0 (1) |
O4—S1—O1—Fe1 | 76.8 (2) | O1i—Fe1—O5—S2 | −85.0 (1) |
O2—S1—O1—Fe1 | −41.1 (2) | O8—S2—O6—Fe2 | −75.2 (2) |
O9i—Fe1—O1—S1 | −144.2 (1) | O7—S2—O6—Fe2 | 161.5 (1) |
O9—Fe1—O1—S1 | 35.8 (1) | O5—S2—O6—Fe2 | 45.3 (2) |
O5i—Fe1—O1—S1 | 124.7 (1) | O9—Fe2—O6—S2 | −8.9 (1) |
O5—Fe1—O1—S1 | −55.3 (1) | O9ii—Fe2—O6—S2 | 171.1 (1) |
O3—S1—O2—Fe2 | 168.0 (1) | O2ii—Fe2—O6—S2 | 79.5 (1) |
O4—S1—O2—Fe2 | −69.4 (1) | O2—Fe2—O6—S2 | −100.5 (1) |
O1—S1—O2—Fe2 | 49.8 (1) | O5i—Fe1—O9—Fe2 | −132.2 (1) |
O9—Fe2—O2—S1 | −49.7 (1) | O5—Fe1—O9—Fe2 | 47.8 (1) |
O9ii—Fe2—O2—S1 | 130.3 (1) | O1—Fe1—O9—Fe2 | −40.2 (1) |
O6ii—Fe2—O2—S1 | −141.3 (1) | O1i—Fe1—O9—Fe2 | 139.8 (1) |
O6—Fe2—O2—S1 | 38.7 (1) | O6ii—Fe2—O9—Fe1 | 134.3 (1) |
O8—S2—O5—Fe1 | 80.2 (1) | O6—Fe2—O9—Fe1 | −45.7 (1) |
O7—S2—O5—Fe1 | −157.9 (1) | O2ii—Fe2—O9—Fe1 | −134.7 (1) |
O6—S2—O5—Fe1 | −40.5 (2) | O2—Fe2—O9—Fe1 | 45.3 (1) |
O9i—Fe1—O5—S2 | −176.5 (1) | N1—C1—C2—N2 | 71.2 (3) |
O9—Fe1—O5—S2 | 3.5 (1) | N3—C3—C4—N4 | −172.8 (2) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x, −y+1, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O9—H9o···O1w | 0.84 (1) | 1.94 (1) | 2.757 (2) | 164 (2) |
O1w—H1w1···O4ii | 0.84 (1) | 2.18 (1) | 2.988 (2) | 163 (3) |
O1w—H1w2···O7iii | 0.84 (1) | 1.99 (1) | 2.790 (2) | 159 (3) |
N1—H1n1···O12i | 0.85 (1) | 2.14 (2) | 2.912 (3) | 151 (3) |
N1—H1n2···O8iii | 0.85 (1) | 2.32 (3) | 2.966 (3) | 132 (3) |
N1—H1n3···O7i | 0.86 (1) | 2.17 (2) | 2.967 (3) | 153 (3) |
N1—H1n2···O1w | 0.85 (1) | 2.30 (3) | 2.923 (3) | 130 (3) |
N2—H2n1···O4i | 0.86 (1) | 2.04 (1) | 2.847 (3) | 158 (3) |
N2—H2n2···O13iv | 0.85 (1) | 2.05 (2) | 2.840 (3) | 155 (3) |
N2—H2n3···O10v | 0.85 (1) | 1.88 (1) | 2.714 (3) | 165 (3) |
N3—H3n1···O11 | 0.85 (1) | 2.02 (1) | 2.842 (3) | 161 (3) |
N3—H3n2···O2vi | 0.85 (1) | 2.07 (1) | 2.912 (2) | 174 (3) |
N3—H3n3···O1 | 0.85 (1) | 2.12 (1) | 2.964 (2) | 176 (3) |
N4—H4n1···O11vii | 0.86 (1) | 1.97 (1) | 2.811 (3) | 168 (3) |
N4—H4n2···O12viii | 0.86 (1) | 1.96 (1) | 2.807 (3) | 169 (3) |
N4—H4n3···O13iii | 0.86 (1) | 1.99 (1) | 2.834 (3) | 165 (3) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x, −y+1, −z+1; (iii) x, y−1, z; (iv) −x+2, −y+1, −z+1; (v) x, y−1, z+1; (vi) x+1, y, z; (vii) −x+2, −y+1, −z; (viii) −x+1, −y+1, −z. |
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