Table 2.

Details of X-ray diffraction measurements and crystal structure determination.

	2a	2b	3b	3c
Molecular formula	C28H22FeNO3P	C22H16FeNO6P	C28H22FeNO6P	C19H28FeNO6P
M ([g mol−1)	507.28	477.18	555.28	453.24
Crystal system	triclinic	orthorhombic	monoclinic	monoclinic
space group	P-1	Pna21	C2/c	P21/c
a [Å]	8.04065(10)	13.2089(2)	16.8587(2)	15.32170(10)
b [Å]	9.87234(13)	10.55910(10)	8.62090(10)	8.89300(10)
c [Å]	15.02351(17)	14.1422(2)	35.2763(3)	15.83020(10)
α [°]	77.1258(10)	90	90	90
β [°]	87.8415(10)	90	94.2030(10)	94.1040(10)
γ [°]	79.6894(10)	90	90	90
V [Å3]	1143.81(2)	1972.47(4)	5113.17(10)	2151.43(3)
Z	2	4	8	4
Crystal size (mm3)	0.044 × 0.104 × 0.208	0.106 × 0.068 × 0.045	0.196 × 0.058 × 0.043	0.174 × 0.104 × 0.021
dx (mg m−3)/μ (mm−1)	1.473/0.761	1.607/7.273	1.443/5.696	1.399/6.620
F(000)	524.0	976.0	2288.0	952.0
λ [Å], T [K]	Mo Kα, 100(2)	Cu Kα, 100(2)	Cu Kα, 100(2)	Cu Kα, 100(2)
2θ range [°]	5.15–51.996	10.456–135.994	5.024–153.754	5.784–153.782
Index ranges	− 9 ≤ h ≤ 9 − 12 ≤ k ≤ 12 − 18 ≤ l ≤ 18	− 15 ≤ h ≤ 15 − 12 ≤ k ≤ 12 − 16 ≤ l ≤ 16	− 20 ≤ h ≤ 21 − 10 ≤ k ≤ 10 − 42 ≤ l ≤ 44	− 18 ≤ h ≤ 19 − 11 ≤ k ≤ 9 − 19 ≤ l ≤ 19
Data collected/unique	52,838/4483 Rint = 0.0371	21,719/3565 Rint = 0.0440	29,598/5124 Rint = 0.0260	33,257/4378 Rint = 0.0323
data/restraints/parameters	4483/0/307	3565/1/280	5124/15/381	4378/0/260
GooF on F2	1.075	1.032	1.042	1.033
R/wR2 [I > 2σ (I)]	R1 = 0.0234 wR2 = 0.0606	R1 = 0.0357 wR2 = 0.0928	R1 = 0.0253 wR2 = 0.0635	R1 = 0.0269 wR2 = 0.0658
R/wR2 (all data)	R1 = 0.0250 wR2 = 0.0612	R1 = 0.0366 wR2 = 0.0934	R1 = 0.0267 wR2 = 0.0642	R1 = 0.0279 wR2 = 0.0664
Δρmin/Δρmax [e∙Å−3]	0.37/− 0.27	1.20/− 0.23	0.29/− 0.40	0.45/− 0.28
Flack parameter	–	0.002(4)	–	–
CCDC number	2,280,168	2,280,165	2,280,167	2,280,166