Crystallography Open Database

Information card for entry 7132485

Preview

Coordinates	7132485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H70 Co2 N6 O8 S4 W2
Calculated formula	C54 H70 Co2 N6 O8 S4 W2
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	24.5425 ± 0.0016 Å
b	11.5431 ± 0.0008 Å
c	24.7944 ± 0.0017 Å
α	90°
β	115.177 ± 0.003°
γ	90°
Cell volume	6356.9 ± 0.8 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289374 (current)	2024-02-04	cif/ Updating files of 7132482, 7132483, 7132484, 7132485 Original log message: Adding full bibliography for 7132482--7132485.cif.	7132485.cif
288355	2023-12-16	cif/ Adding structures of 7132482, 7132483, 7132484, 7132485 via cif-deposit CGI script.	7132485.cif