Crystallography Open Database

Information card for entry 7230825

Preview

Coordinates	7230825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 Cl2 Co F4 I2 N4
Calculated formula	C30 H16 Cl2 Co F4 I2 N4
Title of publication	Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif
Authors of publication	Lisac, Katarina; Cinčić, Dominik
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	5955
a	13.4604 ± 0.0009 Å
b	23.4681 ± 0.0015 Å
c	9.7735 ± 0.0009 Å
α	90°
β	102.252 ± 0.007°
γ	90°
Cell volume	3017 ± 0.4 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.1068
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
228977 (current)	2019-11-17	cif/ Updating files of 7230823, 7230824, 7230825, 7230826, 7230827, 7230828, 7230829, 7230830, 7230831, 7230832, 7230833, 7230834 Original log message: Adding full bibliography for 7230823--7230834.cif.	7230825.cif
208153	2018-06-06	cif/ Adding structures of 7230823, 7230824, 7230825, 7230826, 7230827, 7230828, 7230829, 7230830, 7230831, 7230832, 7230833, 7230834 via cif-deposit CGI script.	7230825.cif