Crystallography Open Database

Information card for entry 7715619

Preview

Coordinates	7715619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Fe N14 O5 Pt
Calculated formula	C22 H16 Fe N14 O5 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	26.195 ± 0.0007 Å
b	6.9648 ± 0.0002 Å
c	14.6878 ± 0.0004 Å
α	90°
β	100.68 ± 0.003°
γ	90°
Cell volume	2633.27 ± 0.13 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0524
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291619 (current)	2024-05-05	cif/ Updating files of 7715619, 7715620, 7715621, 7715622, 7715623, 7715624 Original log message: Adding full bibliography for 7715619--7715624.cif.	7715619.cif
290763	2024-04-04	cif/ Adding structures of 7715619, 7715620, 7715621, 7715622, 7715623, 7715624 via cif-deposit CGI script.	7715619.cif