Crystallography Open Database

Information card for entry 1576168

Preview

Coordinates	1576168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H70 Cl4 Co2 N6 O4
Calculated formula	C38 H54 Cl4 Co2 N6 O2
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	13.5345 ± 0.0007 Å
b	10.737 ± 0.0005 Å
c	17.4919 ± 0.0009 Å
α	90°
β	100.729 ± 0.002°
γ	90°
Cell volume	2497.5 ± 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	0.0487
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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