Crystallography Open Database

Information card for entry 7245158

Preview

Coordinates	7245158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 Co K N5 O3
Calculated formula	C9 H12 Co K N5 O3
Title of publication	Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain
Authors of publication	Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi
Journal of publication	CrystEngComm
Year of publication	2022
a	10.3499 ± 0.0005 Å
b	10.3499 ± 0.0005 Å
c	7.1351 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	661.92 ± 0.06 Å³
Cell temperature	135 K
Ambient diffraction temperature	135 K
Number of distinct elements	6
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0282
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	0.71
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
276812 (current)	2022-07-23	cif/ Adding structures of 7245153, 7245154, 7245155, 7245156, 7245157, 7245158, 7245159 via cif-deposit CGI script.	7245158.cif