Crystallography Open Database

Information card for entry 7121275

Preview

Coordinates	7121275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H35 Cl N6 Ni O
Calculated formula	C45 H35 Cl N6 Ni O
Title of publication	Extension of antiaromatic norcorrole by cycloaddition.
Authors of publication	Fu, Xinliang; Meng, Yankui; Li, Xiaofang; Stępień, Marcin; Chmielewski, Piotr J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	20
Pages of publication	2510 - 2513
a	15.2703 ± 0.0006 Å
b	15.9604 ± 0.0006 Å
c	16.2276 ± 0.0004 Å
α	81.48 ± 0.003°
β	83.595 ± 0.003°
γ	67.656 ± 0.004°
Cell volume	3611.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1143
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
228346 (current)	2019-11-17	cif/ Updating files of 7121275 Original log message: Adding full bibliography for 7121275.cif.	7121275.cif
206403	2018-02-14	cif/ Adding structures of 7121275 via cif-deposit CGI script.	7121275.cif