Crystallography Open Database

Information card for entry 7128216

Preview

Coordinates	7128216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H81 Cl13 Cr6 O11
Calculated formula	C34 H65 Cl13 Cr6 O9
Title of publication	A trinuclear chromium(iii) chlorocarbyne.
Authors of publication	Kurogi, Takashi; Irifune, Keiichi; Enoki, Takahiro; Takai, Kazuhiko
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	42
Pages of publication	5199 - 5202
a	14.106 ± 0.005 Å
b	16.474 ± 0.006 Å
c	16.918 ± 0.006 Å
α	110.075 ± 0.004°
β	97.234 ± 0.002°
γ	110.542 ± 0.004°
Cell volume	3319 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0853
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1734
Weighted residual factors for all reflections included in the refinement	0.1941
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265871 (current)	2021-06-05	cif/ Updating files of 7128214, 7128215, 7128216, 7128217 Original log message: Adding full bibliography for 7128214--7128217.cif.	7128216.cif
264377	2021-04-22	cif/ Adding structures of 7128214, 7128215, 7128216, 7128217 via cif-deposit CGI script.	7128216.cif