Crystallography Open Database

Information card for entry 7716764

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Coordinates	7716764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H40 Fe N6 O4
Calculated formula	C52 H40 Fe N6 O4
Title of publication	Substituent effects on spin-crossover Fe(II)N<sub>4</sub>O<sub>2</sub> pyrenylhydrazone complexes.
Authors of publication	Wang, Xuan; Zhang, Nan; Kou, Hui-Zhong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	40
Pages of publication	16592 - 16597
a	16.7076 ± 0.0004 Å
b	8.9821 ± 0.0002 Å
c	28.5746 ± 0.0009 Å
α	90°
β	95.696 ± 0.002°
γ	90°
Cell volume	4267 ± 0.19 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
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	0.0807
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.236
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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