Crystallography Open Database

Information card for entry 1576159

Preview

Coordinates	1576159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H33 Cl Co N3 S
Calculated formula	C25 H33 Cl Co N3 S
Title of publication	The structural parameter of spin states of <i>C</i> <sub>1</sub>-symmetric four-coordinate cobalt complexes: <i>D</i> <sub>4</sub>.
Authors of publication	Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	1
Pages of publication	492 - 499
a	10.7384 ± 0.0005 Å
b	12.7561 ± 0.0005 Å
c	18.1854 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2491.04 ± 0.19 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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