Crystallography Open Database

Information card for entry 4134689

Preview

Coordinates	4134689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Cl N2 Ni
Calculated formula	C16 H11 Cl N2 Ni
Title of publication	Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.
Authors of publication	Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	16
Pages of publication	7638 - 7646
a	9.772 ± 0.003 Å
b	14.573 ± 0.004 Å
c	9.077 ± 0.004 Å
α	90°
β	95.29 ± 0.03°
γ	90°
Cell volume	1287.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0474
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.65295 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
251459 (current)	2020-05-04	cif/ Updating files of 4134688, 4134689 Original log message: Adding full bibliography for 4134688--4134689.cif.	4134689.cif
250719	2020-04-14	cif/ Adding structures of 4134689 via cif-deposit CGI script.	4134689.cif