Crystallography Open Database

Information card for entry 4319410

4319409 << 4319410 >> 4319411

Preview

Coordinates	4319410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.25 H53 Cl2 Co3 N12
Calculated formula	C55.25 H32 Cl2 Co3 N12
Title of publication	Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers
Authors of publication	Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1256 - 1264
a	16.849 ± 0.001 Å
b	17.959 ± 0.001 Å
c	19.176 ± 0.001 Å
α	80.424 ± 0.001°
β	81.25 ± 0.001°
γ	63.33 ± 0.001°
Cell volume	5093.1 ± 0.5 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for all reflections	0.1437
Weighted residual factors for significantly intense reflections	0.1277
Goodness-of-fit parameter for all reflections	1.059
Goodness-of-fit parameter for significantly intense reflections	1.143
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4319410.html