Crystallography Open Database

Information card for entry 1576172

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Coordinates	1576172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H40 Cl Co N4
Calculated formula	C35 H40 Cl Co N4
Title of publication	The Structural Parameter of Spin States of C 1 -Symmetric Four-Coordinate Cobalt Complexes: D 4
Authors of publication	Zheng, Chenggong; Liu, Jiyong; Wang, Yongtao; Li, Haoran; Wang, Yuwen; Lu, Zhan
Journal of publication	Chemical Science
Year of publication	2025
a	10.3786 ± 0.0004 Å
b	12.1026 ± 0.0004 Å
c	12.7904 ± 0.0005 Å
α	90°
β	106.534 ± 0.001°
γ	90°
Cell volume	1540.15 ± 0.1 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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