Crystallography Open Database

Information card for entry 7132482

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Coordinates	7132482.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Co_dadtBz
Formula	C21 H28 Co N2 S2
Calculated formula	C21 H28 Co N2 S2
Title of publication	A single carbon atom controls the geometry and reactivity of Co<sup>II</sup>(N<sub>2</sub>S<sub>2</sub>) complexes.
Authors of publication	Jana, Manish; Quiroz, Manuel; Darensbourg, Marcetta Y.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	9
Pages of publication	1128 - 1131
a	15.9232 ± 0.001 Å
b	15.0712 ± 0.0011 Å
c	16.8379 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4040.8 ± 0.5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.161
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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