Crystallography Open Database

Information card for entry 7126530

Preview

Coordinates	7126530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H31 Cl6 N4 Ni
Calculated formula	C38 H31 Cl6 N4 Ni
Title of publication	A 2-to-2' 18-to-18' doubly linked Ni(ii) norcorrole dimer: an effectively conjugated antiaromatic dyad.
Authors of publication	Liu, Si-Yu; Kawashima, Hiroyuki; Fukui, Norihito; Shinokubo, Hiroshi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	50
Pages of publication	6846 - 6849
a	35.3376 ± 0.0006 Å
b	11.9482 ± 0.0002 Å
c	17.8205 ± 0.0003 Å
α	90°
β	102.422 ± 0.002°
γ	90°
Cell volume	7348 ± 0.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1156
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.2524
Weighted residual factors for all reflections included in the refinement	0.2828
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
253804 (current)	2020-07-06	cif/ Updating files of 7126528, 7126529, 7126530 Original log message: Adding full bibliography for 7126528--7126530.cif.	7126530.cif
252003	2020-05-13	cif/ Adding structures of 7126528, 7126529, 7126530 via cif-deposit CGI script.	7126530.cif