Crystallography Open Database

Information card for entry 7133733

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Coordinates	7133733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H66 Fe2 N18 O2 Pd2
Calculated formula	C64 H66 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	9.3591 ± 0.0002 Å
b	18.1555 ± 0.0005 Å
c	17.867 ± 0.0004 Å
α	90°
β	101.775 ± 0.001°
γ	90°
Cell volume	2972.06 ± 0.12 Å³
Cell temperature	70 K
Ambient diffraction temperature	70 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	0.0504
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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