Crystallography Open Database

Information card for entry 4032875

Preview

Coordinates	4032875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H29 Br N4 Ni
Calculated formula	C36 H29 Br N4 Ni
Title of publication	Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.
Authors of publication	Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	19
Pages of publication	10425 - 10432
a	13.1619 ± 0.0008 Å
b	13.8635 ± 0.0004 Å
c	8.2762 ± 0.0003 Å
α	90°
β	101.23 ± 0.005°
γ	90°
Cell volume	1481.24 ± 0.12 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
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	0.0727
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
202706 (current)	2017-11-07	cif/ Updating files of 4032875, 4032876, 4032877 Original log message: Adding full bibliography for 4032875--4032877.cif.	4032875.cif
201131	2017-09-22	cif/ Adding structures of 4032875, 4032876, 4032877 via cif-deposit CGI script.	4032875.cif