Crystallography Open Database

Information card for entry 1576160

Preview

Coordinates	1576160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H33 Cl2 Co N3 S
Calculated formula	C25 H33 Cl2 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	15.7078 ± 0.0008 Å
b	9.7905 ± 0.0005 Å
c	18.7603 ± 0.001 Å
α	90°
β	114.343 ± 0.003°
γ	90°
Cell volume	2628.6 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1747
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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