Crystallography Open Database

Information card for entry 7715621

Preview

Coordinates	7715621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Fe N14 O4 Pt
Calculated formula	C22 H14 Fe N14 O4 Pt
Title of publication	Guest water-induced structural transformation and spin-crossover variation of a two-dimensional Hofmann-type compound.
Authors of publication	Liu, Zhi-Kun; Sun, Ke; Xue, Jin-Peng; Yao, Zi-Shuo; Tao, Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	17
Pages of publication	7522 - 7526
a	26.2968 ± 0.0016 Å
b	7.2061 ± 0.0004 Å
c	14.9288 ± 0.0009 Å
α	90°
β	98.444 ± 0.006°
γ	90°
Cell volume	2798.3 ± 0.3 Å³
Cell temperature	250.01 ± 0.1 K
Ambient diffraction temperature	250 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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