Crystallography Open Database

Information card for entry 7713841

Preview

Coordinates	7713841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Co N2 O2 P S
Calculated formula	C24 H20 Co N2 O2 P S
SMILES	[Co](Sc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(N=O)N=O
Title of publication	Phosphine/Thiolate Containing Dinitrosyl Cobalt Complexes (DNCCs): Synthesis, Characterization, Interconversion, X-ray Diffraction Identification, and Its NO Releasing
Authors of publication	Chang, Wen-Chieh; Du, Wan-Ting; Lin, Yi-Xuan; Jhang, Ruei-Lin; Hsieh, Chung-Hung
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.7624 ± 0.0003 Å
b	25.1828 ± 0.0007 Å
c	10.4527 ± 0.0003 Å
α	90°
β	116.673 ± 0.0012°
γ	90°
Cell volume	2296.29 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285919 (current)	2023-08-31	cif/ Adding structures of 7713841, 7713842, 7713843, 7713844, 7713845 via cif-deposit CGI script.	7713841.cif