TUJPEV	(VABZIJ)	WADXOR	YAXPOE
Crystal data
Chemical formula	C10H12N3O3S+·C7H3N2O7 −	C8H13N2O+·C7H3N2O7 −·H2O	C9H17N2 +·C7H3N2O7 −	C26H29N2 +·C7H3N2O7 −
M r	481.41	398.33	380.35	596.63
Crystal system, space group	Triclinic, P	Triclinic, P	Monoclinic, P21/n	Monoclinic, P21/c
Temperature (K)	296	100	200	200
a, b, c (Å)	8.5551 (1), 10.5000 (2), 12.7576 (3)	6.6691 (3), 11.3831 (4), 12.2900 (5)	6.1537 (3), 19.1541 (14), 14.5527 (11)	14.5648 (3), 12.9374 (3), 16.1619 (3)
α, β, γ (°)	106.463 (1), 100.913 (1), 108.272 (1)	89.727 (2), 76.771 (2), 76.930 (2)	90, 98.343 (6), 90	90, 103.900 (1), 90
V (Å3)	993.72 (3)	883.62 (6)	1697.2 (2)	2956.22 (11)
Z	2	2	4	4
Radiation type	Mo Kα	Mo Kα	Mo Kα	Mo Kα
μ (mm−1)	0.23	0.13	0.12	0.10
Crystal size (mm)	0.20 × 0.20 × 0.16	0.52 × 0.13 × 0.10	0.30 × 0.13 × 0.10	0.51 × 0.26 × 0.17
Data collection
Diffractometer	Bruker Kappa APEXII CCD	Bruker SMART APEXII CCD area-detector	Oxford Diffraction Gemini-S CCD-detector	Bruker APEXII CCD
Absorption correction	Multi-scan (SADABS; Bruker, 2004)	Multi-scan (SADABS; Bruker, 2009)	Multi-scan (CrysAlis PRO; Agilent, 2014)	Multi-scan (SADABS; Bruker, 2008)
T min, T max	0.955, 0.964	0.937, 0.987	0.920, 0.990	0.932, 1.000
No. of measured, independent and observed [I > 3σ(I)] reflections	24261, 6717, 4398	17014, 4061, 3042	7800, 3339, 1976	29552, 7344, 5724
R int	0.030	0.030	0.034	0.015
(sin θ/λ)max (Å−1)	0.758	0.650	0.617	0.667
Refinement
R factors and goodness of fit	R[F > 3σ(F)] = 0.044, wR(F) = 0.104, S = 1.95	R[F > 3σ(F)] = 0.038, wR(F) = 0.086, S = 1.77	R[F 2 > 2σ(F 2)] = 0.046, wR(F 2) = 0.095, S = 1.33	R[F > 3σ(F)] = 0.054, wR(F) = 0.190, S = 1.80
No. of reflections	6717	4061	3339	7344
No. of parameters	301	258	268	399
No. of restraints	0	0	2	0
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement	H atoms treated by a mixture of independent and constrained refinement	H atoms treated by a mixture of independent and constrained refinement	H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3)	0.31, −0.35	0.46, −0.23	0.36, −0.24	0.63, −0.28
Absolute structure	–	–	–	–
Absolute structure parameter	–	–	–	–