Crystallography Open Database

Information card for entry 7133734

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Coordinates	7133734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H62 Fe2 N18 O2 Pd2
Calculated formula	C62 H62 Fe2 N18 O2 Pd2
Title of publication	Manipulating Fe(II) Spin States to Achieve Higher Anti-tumor Cell Activities in Multinuclear Complexes
Authors of publication	Yao, Nian-Tao; Liu, Qiang; Ma, Junwei; Du, Xiumei; Ru, Jing; Jiang, Jiaojiao; Zhao, Liang; Meng, Yin-Shan
Journal of publication	Chemical Communications
Year of publication	2024
a	9.2363 ± 0.0009 Å
b	18.5613 ± 0.0018 Å
c	17.5151 ± 0.0018 Å
α	90°
β	100.831 ± 0.003°
γ	90°
Cell volume	2949.3 ± 0.5 Å³
Cell temperature	294.8 K
Ambient diffraction temperature	294.8 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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