Crystallography Open Database

Information card for entry 7249809

Preview

Coordinates	7249809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Cl2 Fe N6 O10
Calculated formula	C36 H34 Cl2 Fe N6 O10
Title of publication	Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks
Authors of publication	Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	7
Pages of publication	931 - 938
a	9.018 ± 0.0002 Å
b	9.0232 ± 0.0001 Å
c	22.2494 ± 0.0003 Å
α	91.685 ± 0.001°
β	95.684 ± 0.001°
γ	90.432 ± 0.002°
Cell volume	1800.68 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298212 (current)	2025-03-04	cif/ Updating files of 7249805, 7249806, 7249807, 7249808, 7249809, 7249810 Original log message: Adding full bibliography for 7249805--7249810.cif.	7249809.cif
297395	2025-01-22	cif/ Adding structures of 7249805, 7249806, 7249807, 7249808, 7249809, 7249810 via cif-deposit CGI script.	7249809.cif