Crystallography Open Database

Information card for entry 7714208

Preview

Coordinates	7714208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H22 Cl5 Co N4 O2 Zn2
Calculated formula	C8 H22 Cl5 Co N4 O2 Zn2
Title of publication	Synthesis of Nitrogen Mustards on Cobalt(III)
Authors of publication	Kariyawasam, Rasika Janadari; Zibaseresht, Ramin; Polson, Matthew Ian James; Houlihan, Joanna C.C.; Wikaira, Jan L.; Hartshorn, Richard M.
Journal of publication	Dalton Transactions
Year of publication	2023
a	8.0188 ± 0.0006 Å
b	9.4646 ± 0.0006 Å
c	13.1434 ± 0.0008 Å
α	76.033 ± 0.005°
β	79.66 ± 0.005°
γ	74.106 ± 0.006°
Cell volume	924.12 ± 0.11 Å³
Cell temperature	202 ± 110 K
Ambient diffraction temperature	202 ± 110 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.2485
Weighted residual factors for all reflections included in the refinement	0.2492
Goodness-of-fit parameter for all reflections included in the refinement	1.198
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7714208.html