Crystallography Open Database

Information card for entry 7062475

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Coordinates	7062475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 Cl2 Fe N10 O8
Calculated formula	C42 H30 Cl2 Fe N10 O8
Title of publication	Construction of spin crossover-fluorescence bifunctional iron(ii) complexes with modified bis(pyrazole)pyridine ligands
Authors of publication	Zhao, Guo-Hui; Zhang, Shi-Hui; Yi, Cheng; Liu, Tao; Meng, Yin-Shan
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	23
Pages of publication	10967 - 10972
a	22.6912 ± 0.0018 Å
b	11.9055 ± 0.001 Å
c	14.9444 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4037.2 ± 0.7 Å³
Cell temperature	399.99 ± 0.1 K
Ambient diffraction temperature	399.99 ± 0.1 K
Number of distinct elements	6
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.213
Residual factor for significantly intense reflections	0.103
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1805
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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